*HEADER ANTIMICROBIAL PROTEIN 08-APR-08 SMS20014 *TITLE STRUCTURE OF ANTIBACTERIAL PEPTIDE CAPISTRUIN: A 19-RESIDUE LARIAT *TITLE 2 PROTOKNOT WITH A THREADED 9-MEMBER SIDECHAIN TO-BACKBONE RING *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CAPISTRUIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; *SOURCE 3 ORGANISM_TAXID: 271848; *SOURCE 4 STRAIN: E264; *SOURCE 5 GENE: MCJA; *SOURCE 6 EXPRESSION_SYSTEM: BURKHOLDERIA THAILANDENSIS; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 271848; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: E264; *SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: M20 *KEYWDS CAPISTRUIN, SIDECHAIN-TO-BACKBONE LINK, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR T.A.KNAPPE, U.LINNE, S.ZIRAH, S.REBUFFAT, X.XIE, M.A.MARAHIEL # # DYANA Upper Limit File for molecule named: Cap.upl # created on Jan 03 2008; with right atom names for glycines # based on NOESY 70 ms in H2O/D2O (9:1) at 283 K # Atom names according to the convention of cyana.lib 1 GLY H 2 THR H 2.44 1 GLY H 1 GLY HA2 2.72 1 GLY H 1 GLY HA3 2.53 1 GLY H 9 ASP HB3 2.39 1 GLY H 9 ASP HB2 2.35 # Manual Input for proper geometry # of side-chain/backbone peptide bond 1 GLY N 9 ASP CG 1.33 1 GLY N 9 ASP OD1 2.26 1 GLY N 9 ASP CB 2.41 1 GLY H 9 ASP CG 2.06 1 GLY CA 9 ASP CG 2.42 1 GLY H 1 GLY CA 2.09 1 GLY CA 9 ASP OD1 2.78 1 GLY H 9 ASP OD1 3.17 # END Manual Input 1 GLY HA3 1 GLY HA2 1.79 1 GLY HA2 2 THR H 3.58 1 GLY HA3 2 THR H 2.85 2 THR H 2 THR HA 2.92 2 THR H 2 THR HB 2.72 2 THR HA 2 THR HB 2.74 2 THR HA 2 THR QG2 2.48 2 THR HA 3 PRO HD3 2.08 2 THR HA 3 PRO HD2 2.49 2 THR QG2 3 PRO HD2 2.92 3 PRO HA 3 PRO HB3 2.38 3 PRO HA 3 PRO HB2 2.80 3 PRO HG3 3 PRO HD2 2.84 3 PRO HG3 3 PRO HD3 2.36 3 PRO HG2 3 PRO HD3 2.84 3 PRO HB2 3 PRO HD2 2.51 3 PRO HA 4 GLY H 1.99 3 PRO HB3 4 GLY H 3.38 4 GLY H 4 GLY HA2 2.60 4 GLY H 4 GLY HA3 2.70 4 GLY HA2 5 PHE H 2.06 4 GLY HA3 5 PHE H 2.23 5 PHE H 5 PHE HA 2.72 5 PHE H 5 PHE HB3 1.44 5 PHE HA 5 PHE HB2 2.30 5 PHE HB3 5 PHE HB2 1.65 5 PHE HA 6 GLN H 3.20 5 PHE H 6 GLN H 2.35 6 GLN H 6 GLN HA 2.85 6 GLN H 6 GLN HB2 2.53 6 GLN HA 6 GLN HB3 2.69 6 GLN HA 6 GLN QG 2.82 6 GLN HA 7 THR H 3.56 6 GLN HB2 15 ARG HA 3.45 6 GLN QG 6 GLN QE2 2.95 7 THR H 7 THR HA 2.58 7 THR H 7 THR HB 3.45 7 THR H 7 THR QG2 2.98 7 THR HA 7 THR HB 2.44 7 THR HA 7 THR QG2 3.16 7 THR HB 7 THR QG2 2.62 7 THR HA 8 PRO HD3 2.14 7 THR HA 8 PRO HD2 2.44 8 PRO HA 8 PRO HB3 2.37 8 PRO HA 8 PRO HB2 3.17 8 PRO HA 8 PRO HG3 4.38 8 PRO HG2 8 PRO HD3 2.80 8 PRO HB2 8 PRO HD2 3.02 8 PRO HG2 8 PRO HD2 2.37 8 PRO HA 9 ASP H 2.02 8 PRO HB3 9 ASP H 3.62 8 PRO HB2 9 ASP H 3.73 9 ASP H 9 ASP HA 2.50 9 ASP HA 9 ASP HB3 2.47 9 ASP HA 9 ASP HB2 2.26 9 ASP HB3 9 ASP HB2 1.64 9 ASP H 10 ALA H 3.00 9 ASP HA 10 ALA H 2.58 9 ASP HB2 10 ALA H 3.50 9 ASP HB3 10 ALA H 3.00 10 ALA H 10 ALA HA 2.52 10 ALA H 10 ALA QB 2.28 10 ALA HA 10 ALA QB 2.16 10 ALA HA 11 ARG H 3.57 10 ALA QB 11 ARG H 3.22 11 ARG HA 11 ARG H 2.80 11 ARG HA 11 ARG HB2 2.64 11 ARG HA 11 ARG HB3 2.74 11 ARG HA 11 ARG QG 3.40 11 ARG HB2 11 ARG H 2.58 11 ARG HB2 11 ARG QD 3.30 11 ARG HB3 11 ARG QD 3.09 11 ARG HE 11 ARG QD 2.72 11 ARG QD 11 ARG QG 2.07 11 ARG HA 12 VAL H 3.28 11 ARG HB3 12 VAL H 3.32 12 VAL HA 12 VAL H 2.44 12 VAL HA 12 VAL HB 2.28 12 VAL HA 12 VAL QG1 2.48 12 VAL HA 12 VAL QG2 2.85 12 VAL HB 12 VAL H 4.03 12 VAL H 12 VAL QG1 3.08 12 VAL HB 12 VAL QG1 2.30 12 VAL H 12 VAL QG2 2.50 12 VAL HB 12 VAL QG2 2.10 2 THR H 14 SER HB3 2.60 3 PRO HA 12 VAL QG1 3.32 3 PRO HA 12 VAL QG2 4.73 5 PHE HA 13 ILE QG2 3.30 6 GLN H 13 ILE QG2 4.01 7 THR H 13 ILE HB 3.40 7 THR H 13 ILE QG2 4.60 8 PRO HA 13 ILE HA 2.58 8 PRO HA 14 SER H 3.23 9 ASP H 14 SER HB2 4.49 9 ASP HB3 14 SER HB2 3.50 12 VAL HA 13 ILE H 2.22 12 VAL HB 13 ILE H 2.27 12 VAL QG1 13 ILE H 3.19 13 ILE HA 13 ILE H 2.97 13 ILE HA 13 ILE HB 2.52 13 ILE H 13 ILE HB 2.35 13 ILE HG12 13 ILE HB 2.47 13 ILE QD1 13 ILE HB 2.35 13 ILE QD1 13 ILE HG13 2.25 13 ILE QG2 13 ILE HA 2.42 13 ILE HA 14 SER H 2.03 13 ILE QG2 14 SER H 2.88 14 SER H 14 SER HA 2.29 14 SER HA 14 SER HB3 2.93 14 SER HA 14 SER HB2 2.63 14 SER HA 15 ARG H 2.22 15 ARG HA 15 ARG H 2.78 15 ARG HA 15 ARG QB 2.30 15 ARG HA 15 ARG QG 3.13 15 ARG HA 16 PHE H 2.17 15 ARG HE 6 GLN QE2 2.52 15 ARG HE 15 ARG QD 3.65 15 ARG HE 15 ARG QG 4.22 15 ARG H 15 ARG QB 3.04 15 ARG QB 16 PHE H 3.49 15 ARG QD 14 SER HB3 3.93 15 ARG QD 14 SER HB2 3.97 15 ARG QD 15 ARG QB 3.22 15 ARG QD 15 ARG QG 2.78 15 ARG QG 15 ARG H 3.14 15 ARG QG 16 PHE H 3.98 16 PHE HA 16 PHE H 3.50 16 PHE HA 17 GLY H 2.78 17 GLY HA2 17 GLY H 3.29 17 GLY HA2 18 PHE H 3.62 17 GLY HA3 17 GLY H 3.42 17 GLY HA3 18 PHE H 3.43 17 GLY H 18 PHE H 3.97 18 PHE H 19 ASN H 4.09 18 PHE HA 18 PHE H 3.54 18 PHE HA 18 PHE HB2 3.40 18 PHE HA 19 ASN H 3.22 18 PHE H 18 PHE HB3 4.16 18 PHE HA 18 PHE HB3 3.94 18 PHE HB3 19 ASN H 5.08 18 PHE H 18 PHE HB2 3.46 19 ASN HA 19 ASN H 3.58 19 ASN HB3 19 ASN H 4.72 19 ASN HB2 19 ASN H 4.80 # Torsion Angles from 3JHHA 2 THR PHI -100.0 -40.0 5 PHE PHI -100.0 -40.0 12 VAL PHI -150.0 -90.0 14 SER PHI -150.0 -90.0 5 PHE CHI1 120.0 180.0 6 GLN CHI1 -90.0 -30.0 9 ASP CHI1 30.0 90.0 14 SER CHI1 150.0 210.0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.661 -0.845 1.861 2 HA2 GLY 1 HA2 GLY 1 2.403 0.933 -0.412 3 HA3 GLY 1 HA3 GLY 1 3.288 -0.474 0.176 4 H THR 2 H THR 2 0.911 -2.386 0.034 5 HA THR 2 HA THR 2 1.113 -2.760 -2.898 6 HB THR 2 HB THR 2 1.166 -4.613 -0.704 7 HG1 THR 2 HG1 THR 2 2.275 -4.873 -2.759 8 HG21 THR 2 HG21 THR 2 -0.562 -6.243 -1.194 9 HG22 THR 2 HG22 THR 2 -1.250 -5.247 -2.497 10 HG23 THR 2 HG23 THR 2 -1.394 -4.717 -0.800 11 HA PRO 3 HA PRO 3 -2.956 -1.137 -3.378 12 HB2 PRO 3 HB2 PRO 3 -3.912 -2.377 -5.677 13 HB3 PRO 3 HB3 PRO 3 -2.465 -1.319 -5.704 14 HG2 PRO 3 HG2 PRO 3 -2.494 -4.370 -5.368 15 HG3 PRO 3 HG3 PRO 3 -1.661 -3.456 -6.669 16 HD2 PRO 3 HD2 PRO 3 -0.277 -4.184 -4.444 17 HD3 PRO 3 HD3 PRO 3 -0.073 -2.495 -5.045 18 H GLY 4 H GLY 4 -5.335 -1.638 -3.489 19 HA2 GLY 4 HA2 GLY 4 -6.766 -3.862 -3.190 20 HA3 GLY 4 HA3 GLY 4 -5.892 -3.841 -1.666 21 H PHE 5 H PHE 5 -8.035 -3.726 -0.702 22 HA PHE 5 HA PHE 5 -9.033 -0.955 -0.650 23 HB2 PHE 5 HB2 PHE 5 -10.803 -2.001 -1.714 24 HB3 PHE 5 HB3 PHE 5 -10.539 -3.528 -0.880 25 HD1 PHE 5 HD2 PHE 5 -11.860 -0.102 -0.489 26 HD2 PHE 5 HD1 PHE 5 -11.669 -4.038 1.122 27 HE1 PHE 5 HE2 PHE 5 -13.642 0.468 1.108 28 HE2 PHE 5 HE1 PHE 5 -13.452 -3.473 2.721 29 HZ PHE 5 HZ PHE 5 -14.440 -1.218 2.716 30 H GLN 6 H GLN 6 -7.617 -3.419 1.057 31 HA GLN 6 HA GLN 6 -8.815 -3.528 3.522 32 HB2 GLN 6 HB2 GLN 6 -5.863 -3.460 2.879 33 HB3 GLN 6 HB3 GLN 6 -6.523 -3.914 4.445 34 HG2 GLN 6 HG2 GLN 6 -6.320 -5.982 3.581 35 HG3 GLN 6 HG3 GLN 6 -7.905 -5.599 2.913 36 HE21 GLN 6 HE21 GLN 6 -4.514 -5.954 2.235 37 HE22 GLN 6 HE22 GLN 6 -4.656 -6.007 0.514 38 H THR 7 H THR 7 -5.833 -1.268 3.176 39 HA THR 7 HA THR 7 -7.412 0.914 4.193 40 HB THR 7 HB THR 7 -7.220 -0.256 6.331 41 HG1 THR 7 HG1 THR 7 -5.842 1.296 7.482 42 HG21 THR 7 HG21 THR 7 -5.030 -1.002 7.265 43 HG22 THR 7 HG22 THR 7 -4.200 -0.571 5.749 44 HG23 THR 7 HG23 THR 7 -5.406 -1.900 5.772 45 HA PRO 8 HA PRO 8 -4.180 3.160 2.131 46 HB2 PRO 8 HB2 PRO 8 -3.783 5.408 3.742 47 HB3 PRO 8 HB3 PRO 8 -5.161 5.162 2.629 48 HG2 PRO 8 HG2 PRO 8 -5.104 4.474 5.605 49 HG3 PRO 8 HG3 PRO 8 -6.295 5.514 4.756 50 HD2 PRO 8 HD2 PRO 8 -6.980 2.986 5.185 51 HD3 PRO 8 HD3 PRO 8 -7.141 3.528 3.480 52 H ASP 9 H ASP 9 -2.026 2.168 2.104 53 HA ASP 9 HA ASP 9 -0.578 2.084 4.675 54 HB2 ASP 9 HB2 ASP 9 1.150 0.882 3.650 55 HB3 ASP 9 HB3 ASP 9 -0.413 0.166 3.206 56 H ALA 10 H ALA 10 -0.154 3.622 1.365 57 HA ALA 10 HA ALA 10 0.732 6.068 2.657 58 HB1 ALA 10 HB1 ALA 10 3.052 6.038 1.585 59 HB2 ALA 10 HB2 ALA 10 2.853 4.934 2.974 60 HB3 ALA 10 HB3 ALA 10 2.848 4.276 1.326 61 H ARG 11 H ARG 11 1.633 4.645 -0.630 62 HA ARG 11 HA ARG 11 0.051 6.872 -1.800 63 HB2 ARG 11 HB2 ARG 11 2.316 5.209 -2.804 64 HB3 ARG 11 HB3 ARG 11 0.958 5.222 -3.927 65 HG2 ARG 11 HG2 ARG 11 0.942 7.802 -3.789 66 HG3 ARG 11 HG3 ARG 11 2.465 7.656 -2.871 67 HD2 ARG 11 HD2 ARG 11 3.007 8.050 -5.219 68 HD3 ARG 11 HD3 ARG 11 3.409 6.337 -4.846 69 HE ARG 11 HE ARG 11 0.703 6.550 -5.883 70 HH11 ARG 11 HH11 ARG 11 4.117 6.838 -6.997 71 HH12 ARG 11 HH12 ARG 11 3.694 6.345 -8.631 72 HH21 ARG 11 HH21 ARG 11 0.267 5.928 -7.994 73 HH22 ARG 11 HH22 ARG 11 1.560 5.848 -9.192 74 H VAL 12 H VAL 12 -0.108 3.267 -1.367 75 HA VAL 12 HA VAL 12 -2.792 3.374 -2.711 76 HB VAL 12 HB VAL 12 -2.324 1.202 -3.737 77 HG11 VAL 12 HG11 VAL 12 -0.061 3.136 -4.414 78 HG12 VAL 12 HG12 VAL 12 -0.711 1.842 -5.450 79 HG13 VAL 12 HG13 VAL 12 -1.736 3.244 -5.030 80 HG21 VAL 12 HG21 VAL 12 0.553 1.407 -2.675 81 HG22 VAL 12 HG22 VAL 12 -0.703 0.387 -1.914 82 HG23 VAL 12 HG23 VAL 12 -0.179 0.062 -3.594 83 H ILE 13 H ILE 13 -3.823 0.933 -2.088 84 HA ILE 13 HA ILE 13 -4.083 1.357 0.850 85 HB ILE 13 HB ILE 13 -5.986 0.252 -1.139 86 HG12 ILE 13 HG12 ILE 13 -6.868 2.946 -0.451 87 HG13 ILE 13 HG13 ILE 13 -5.200 3.062 -1.012 88 HG21 ILE 13 HG21 ILE 13 -6.577 1.450 1.600 89 HG22 ILE 13 HG22 ILE 13 -7.806 0.830 0.476 90 HG23 ILE 13 HG23 ILE 13 -6.609 -0.295 1.162 91 HD11 ILE 13 HD11 ILE 13 -6.799 3.293 -2.912 92 HD12 ILE 13 HD12 ILE 13 -5.860 1.793 -3.128 93 HD13 ILE 13 HD13 ILE 13 -7.538 1.714 -2.518 94 H SER 14 H SER 14 -3.297 -0.389 2.150 95 HA SER 14 HA SER 14 -3.021 -3.034 0.752 96 HB2 SER 14 HB2 SER 14 -0.993 -1.197 1.013 97 HB3 SER 14 HB3 SER 14 -0.853 -1.972 2.612 98 HG SER 14 HG SER 14 -0.493 -3.983 1.429 99 H ARG 15 H ARG 15 -2.397 -4.823 2.427 100 HA ARG 15 HA ARG 15 -4.274 -4.904 4.413 101 HB2 ARG 15 HB2 ARG 15 -3.274 -6.751 5.490 102 HB3 ARG 15 HB3 ARG 15 -3.013 -6.990 3.753 103 HG2 ARG 15 HG2 ARG 15 -0.876 -5.948 5.728 104 HG3 ARG 15 HG3 ARG 15 -1.107 -7.640 5.264 105 HD2 ARG 15 HD2 ARG 15 -0.280 -5.335 3.446 106 HD3 ARG 15 HD3 ARG 15 0.775 -6.638 3.939 107 HE ARG 15 HE ARG 15 -1.152 -6.644 1.741 108 HH11 ARG 15 HH11 ARG 15 0.459 -8.873 4.091 109 HH12 ARG 15 HH12 ARG 15 0.163 -10.259 3.054 110 HH21 ARG 15 HH21 ARG 15 -1.476 -8.479 0.520 111 HH22 ARG 15 HH22 ARG 15 -0.888 -10.045 1.076 112 H PHE 16 H PHE 16 -4.299 -4.714 6.772 113 HA PHE 16 HA PHE 16 -2.980 -2.294 7.586 114 HB2 PHE 16 HB2 PHE 16 -3.890 -2.729 9.842 115 HB3 PHE 16 HB3 PHE 16 -5.150 -3.004 8.624 116 HD1 PHE 16 HD1 PHE 16 -2.735 -4.719 10.908 117 HD2 PHE 16 HD2 PHE 16 -6.169 -5.206 8.355 118 HE1 PHE 16 HE1 PHE 16 -3.031 -7.030 11.734 119 HE2 PHE 16 HE2 PHE 16 -6.436 -7.522 9.158 120 HZ PHE 16 HZ PHE 16 -4.872 -8.444 10.851 121 H GLY 17 H GLY 17 -1.299 -2.085 9.323 122 HA2 GLY 17 HA2 GLY 17 0.139 -4.015 10.548 123 HA3 GLY 17 HA3 GLY 17 0.772 -4.150 8.882 124 H PHE 18 H PHE 18 0.970 -1.645 7.868 125 HA PHE 18 HA PHE 18 2.515 -0.066 9.904 126 HB2 PHE 18 HB2 PHE 18 3.899 -1.747 8.441 127 HB3 PHE 18 HB3 PHE 18 3.606 -0.644 7.090 128 HD1 PHE 18 HD2 PHE 18 4.418 1.827 7.353 129 HD2 PHE 18 HD1 PHE 18 5.478 -1.241 10.184 130 HE1 PHE 18 HE2 PHE 18 6.178 3.287 8.285 131 HE2 PHE 18 HE1 PHE 18 7.297 0.188 11.045 132 HZ PHE 18 HZ PHE 18 7.636 2.469 10.122 133 H ASN 19 H ASN 19 0.313 1.046 9.799 134 HA ASN 19 HA ASN 19 0.121 2.795 7.341 135 HB2 ASN 19 HB2 ASN 19 -2.243 3.076 7.937 136 HB3 ASN 19 HB3 ASN 19 -1.864 1.344 7.794 137 HD21 ASN 19 HD21 ASN 19 -2.384 4.032 10.230 138 HD22 ASN 19 HD22 ASN 19 -2.788 2.961 11.518 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.398 -0.508 1.658 2 HA2 GLY 1 HA2 GLY 1 1.883 1.321 -0.647 3 HA3 GLY 1 HA3 GLY 1 2.972 0.084 -0.020 4 H THR 2 H THR 2 0.789 -2.142 -0.140 5 HA THR 2 HA THR 2 1.125 -2.546 -3.061 6 HB THR 2 HB THR 2 1.271 -4.350 -0.818 7 HG1 THR 2 HG1 THR 2 2.516 -4.499 -2.800 8 HG21 THR 2 HG21 THR 2 -1.255 -4.720 -1.058 9 HG22 THR 2 HG22 THR 2 -0.240 -6.152 -1.375 10 HG23 THR 2 HG23 THR 2 -0.958 -5.256 -2.733 11 HA PRO 3 HA PRO 3 -3.072 -1.319 -3.661 12 HB2 PRO 3 HB2 PRO 3 -3.870 -2.730 -5.926 13 HB3 PRO 3 HB3 PRO 3 -2.551 -1.516 -5.973 14 HG2 PRO 3 HG2 PRO 3 -2.239 -4.539 -5.556 15 HG3 PRO 3 HG3 PRO 3 -1.498 -3.568 -6.871 16 HD2 PRO 3 HD2 PRO 3 -0.066 -4.083 -4.625 17 HD3 PRO 3 HD3 PRO 3 -0.053 -2.390 -5.250 18 H GLY 4 H GLY 4 -5.386 -2.067 -3.749 19 HA2 GLY 4 HA2 GLY 4 -6.577 -4.428 -3.412 20 HA3 GLY 4 HA3 GLY 4 -5.734 -4.271 -1.878 21 H PHE 5 H PHE 5 -7.894 -4.362 -0.948 22 HA PHE 5 HA PHE 5 -9.184 -1.715 -0.989 23 HB2 PHE 5 HB2 PHE 5 -10.827 -2.960 -2.031 24 HB3 PHE 5 HB3 PHE 5 -10.393 -4.439 -1.181 25 HD1 PHE 5 HD2 PHE 5 -12.163 -1.224 -0.893 26 HD2 PHE 5 HD1 PHE 5 -11.406 -5.018 0.883 27 HE1 PHE 5 HE2 PHE 5 -14.009 -0.848 0.690 28 HE2 PHE 5 HE1 PHE 5 -13.251 -4.648 2.468 29 HZ PHE 5 HZ PHE 5 -14.555 -2.560 2.374 30 H GLN 6 H GLN 6 -7.544 -3.972 0.809 31 HA GLN 6 HA GLN 6 -8.758 -4.135 3.261 32 HB2 GLN 6 HB2 GLN 6 -5.817 -3.749 2.680 33 HB3 GLN 6 HB3 GLN 6 -6.470 -4.276 4.226 34 HG2 GLN 6 HG2 GLN 6 -6.419 -6.368 3.530 35 HG3 GLN 6 HG3 GLN 6 -7.548 -5.966 2.237 36 HE21 GLN 6 HE21 GLN 6 -5.015 -7.680 2.553 37 HE22 GLN 6 HE22 GLN 6 -4.089 -7.277 1.152 38 H THR 7 H THR 7 -6.061 -1.558 2.820 39 HA THR 7 HA THR 7 -7.859 0.475 3.748 40 HB THR 7 HB THR 7 -7.620 -0.568 5.942 41 HG1 THR 7 HG1 THR 7 -6.389 1.127 7.054 42 HG21 THR 7 HG21 THR 7 -5.410 -1.105 6.934 43 HG22 THR 7 HG22 THR 7 -4.568 -0.662 5.431 44 HG23 THR 7 HG23 THR 7 -5.666 -2.083 5.468 45 HA PRO 8 HA PRO 8 -4.801 2.939 1.687 46 HB2 PRO 8 HB2 PRO 8 -4.668 5.273 3.219 47 HB3 PRO 8 HB3 PRO 8 -5.964 4.861 2.056 48 HG2 PRO 8 HG2 PRO 8 -5.972 4.325 5.059 49 HG3 PRO 8 HG3 PRO 8 -7.228 5.187 4.109 50 HD2 PRO 8 HD2 PRO 8 -7.641 2.624 4.677 51 HD3 PRO 8 HD3 PRO 8 -7.831 3.050 2.943 52 H ASP 9 H ASP 9 -2.563 2.202 1.740 53 HA ASP 9 HA ASP 9 -1.214 2.239 4.368 54 HB2 ASP 9 HB2 ASP 9 0.598 1.091 3.420 55 HB3 ASP 9 HB3 ASP 9 -0.914 0.296 2.923 56 H ALA 10 H ALA 10 -0.811 3.748 1.040 57 HA ALA 10 HA ALA 10 -0.111 6.260 2.328 58 HB1 ALA 10 HB1 ALA 10 2.202 6.383 1.239 59 HB2 ALA 10 HB2 ALA 10 2.084 5.282 2.641 60 HB3 ALA 10 HB3 ALA 10 2.117 4.607 1.000 61 H ARG 11 H ARG 11 0.954 5.013 -0.978 62 HA ARG 11 HA ARG 11 -0.827 7.073 -2.122 63 HB2 ARG 11 HB2 ARG 11 1.567 6.533 -2.986 64 HB3 ARG 11 HB3 ARG 11 0.855 5.063 -3.680 65 HG2 ARG 11 HG2 ARG 11 -0.920 6.753 -4.769 66 HG3 ARG 11 HG3 ARG 11 0.229 8.019 -4.295 67 HD2 ARG 11 HD2 ARG 11 0.666 5.638 -6.178 68 HD3 ARG 11 HD3 ARG 11 0.600 7.311 -6.694 69 HE ARG 11 HE ARG 11 2.871 5.800 -5.589 70 HH11 ARG 11 HH11 ARG 11 1.586 9.169 -5.905 71 HH12 ARG 11 HH12 ARG 11 3.204 9.849 -5.845 72 HH21 ARG 11 HH21 ARG 11 4.874 6.783 -5.519 73 HH22 ARG 11 HH22 ARG 11 5.025 8.537 -5.622 74 H VAL 12 H VAL 12 -0.685 3.462 -1.650 75 HA VAL 12 HA VAL 12 -3.335 3.262 -3.045 76 HB VAL 12 HB VAL 12 -2.614 1.159 -4.052 77 HG11 VAL 12 HG11 VAL 12 -0.990 1.971 -5.702 78 HG12 VAL 12 HG12 VAL 12 -2.202 3.233 -5.343 79 HG13 VAL 12 HG13 VAL 12 -0.560 3.346 -4.655 80 HG21 VAL 12 HG21 VAL 12 -0.991 0.488 -2.184 81 HG22 VAL 12 HG22 VAL 12 -0.376 0.236 -3.843 82 HG23 VAL 12 HG23 VAL 12 0.188 1.635 -2.886 83 H ILE 13 H ILE 13 -4.052 0.668 -2.404 84 HA ILE 13 HA ILE 13 -4.467 1.110 0.518 85 HB ILE 13 HB ILE 13 -6.168 -0.191 -1.549 86 HG12 ILE 13 HG12 ILE 13 -7.340 2.404 -0.845 87 HG13 ILE 13 HG13 ILE 13 -5.691 2.675 -1.405 88 HG21 ILE 13 HG21 ILE 13 -6.989 0.897 1.181 89 HG22 ILE 13 HG22 ILE 13 -8.105 0.184 0.002 90 HG23 ILE 13 HG23 ILE 13 -6.835 -0.836 0.723 91 HD11 ILE 13 HD11 ILE 13 -6.206 1.355 -3.514 92 HD12 ILE 13 HD12 ILE 13 -7.874 1.103 -2.919 93 HD13 ILE 13 HD13 ILE 13 -7.300 2.749 -3.310 94 H SER 14 H SER 14 -3.669 -0.573 1.907 95 HA SER 14 HA SER 14 -3.131 -3.206 0.580 96 HB2 SER 14 HB2 SER 14 -1.252 -1.202 0.791 97 HB3 SER 14 HB3 SER 14 -1.047 -1.937 2.400 98 HG SER 14 HG SER 14 -0.604 -3.951 1.228 99 H ARG 15 H ARG 15 -2.563 -4.959 2.193 100 HA ARG 15 HA ARG 15 -4.287 -5.212 4.225 101 HB2 ARG 15 HB2 ARG 15 -3.076 -6.911 5.305 102 HB3 ARG 15 HB3 ARG 15 -2.802 -7.106 3.560 103 HG2 ARG 15 HG2 ARG 15 -0.793 -5.847 5.541 104 HG3 ARG 15 HG3 ARG 15 -0.825 -7.547 5.052 105 HD2 ARG 15 HD2 ARG 15 -0.325 -5.147 3.248 106 HD3 ARG 15 HD3 ARG 15 0.907 -6.299 3.711 107 HE ARG 15 HE ARG 15 -1.035 -6.555 1.545 108 HH11 ARG 15 HH11 ARG 15 0.889 -8.554 3.862 109 HH12 ARG 15 HH12 ARG 15 0.740 -9.972 2.839 110 HH21 ARG 15 HH21 ARG 15 -1.167 -8.418 0.339 111 HH22 ARG 15 HH22 ARG 15 -0.378 -9.899 0.881 112 H PHE 16 H PHE 16 -4.407 -4.880 6.575 113 HA PHE 16 HA PHE 16 -3.208 -2.359 7.252 114 HB2 PHE 16 HB2 PHE 16 -5.452 -3.068 8.200 115 HB3 PHE 16 HB3 PHE 16 -4.647 -4.373 9.069 116 HD1 PHE 16 HD2 PHE 16 -3.782 -0.640 8.636 117 HD2 PHE 16 HD1 PHE 16 -4.675 -3.842 11.387 118 HE1 PHE 16 HE2 PHE 16 -3.458 0.884 10.517 119 HE2 PHE 16 HE1 PHE 16 -4.391 -2.279 13.269 120 HZ PHE 16 HZ PHE 16 -3.785 0.093 12.848 121 H GLY 17 H GLY 17 -0.952 -2.249 7.814 122 HA2 GLY 17 HA2 GLY 17 0.089 -4.406 9.632 123 HA3 GLY 17 HA3 GLY 17 0.934 -3.971 8.127 124 H PHE 18 H PHE 18 2.687 -2.508 8.730 125 HA PHE 18 HA PHE 18 1.983 -0.165 10.385 126 HB2 PHE 18 HB2 PHE 18 3.676 -2.507 11.373 127 HB3 PHE 18 HB3 PHE 18 4.166 -0.864 11.832 128 HD1 PHE 18 HD2 PHE 18 2.583 0.719 12.941 129 HD2 PHE 18 HD1 PHE 18 1.689 -3.475 12.543 130 HE1 PHE 18 HE2 PHE 18 0.921 0.904 14.763 131 HE2 PHE 18 HE1 PHE 18 0.014 -3.281 14.359 132 HZ PHE 18 HZ PHE 18 -0.370 -1.096 15.476 133 H ASN 19 H ASN 19 2.878 1.496 9.076 134 HA ASN 19 HA ASN 19 5.718 1.040 8.173 135 HB2 ASN 19 HB2 ASN 19 4.131 1.078 6.242 136 HB3 ASN 19 HB3 ASN 19 3.451 2.625 6.820 137 HD21 ASN 19 HD21 ASN 19 4.165 3.181 4.435 138 HD22 ASN 19 HD22 ASN 19 5.775 3.773 4.267 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.456 -0.901 1.629 2 HA2 GLY 1 HA2 GLY 1 2.228 0.949 -0.585 3 HA3 GLY 1 HA3 GLY 1 3.169 -0.394 0.064 4 H THR 2 H THR 2 0.822 -2.412 -0.225 5 HA THR 2 HA THR 2 1.227 -2.765 -3.148 6 HB THR 2 HB THR 2 1.221 -4.627 -0.987 7 HG1 THR 2 HG1 THR 2 1.777 -6.030 -2.791 8 HG21 THR 2 HG21 THR 2 -1.051 -5.340 -2.953 9 HG22 THR 2 HG22 THR 2 -1.352 -4.827 -1.277 10 HG23 THR 2 HG23 THR 2 -0.444 -6.317 -1.601 11 HA PRO 3 HA PRO 3 -2.861 -1.202 -3.747 12 HB2 PRO 3 HB2 PRO 3 -3.716 -2.412 -6.100 13 HB3 PRO 3 HB3 PRO 3 -2.302 -1.311 -6.052 14 HG2 PRO 3 HG2 PRO 3 -2.243 -4.368 -5.805 15 HG3 PRO 3 HG3 PRO 3 -1.396 -3.388 -7.049 16 HD2 PRO 3 HD2 PRO 3 -0.066 -4.144 -4.808 17 HD3 PRO 3 HD3 PRO 3 0.106 -2.427 -5.341 18 H GLY 4 H GLY 4 -5.223 -1.754 -3.884 19 HA2 GLY 4 HA2 GLY 4 -6.558 -4.076 -3.694 20 HA3 GLY 4 HA3 GLY 4 -5.772 -3.996 -2.125 21 H PHE 5 H PHE 5 -7.983 -3.999 -1.301 22 HA PHE 5 HA PHE 5 -9.130 -1.286 -1.332 23 HB2 PHE 5 HB2 PHE 5 -10.782 -2.442 -2.466 24 HB3 PHE 5 HB3 PHE 5 -10.469 -3.944 -1.603 25 HD1 PHE 5 HD2 PHE 5 -11.963 -0.577 -1.264 26 HD2 PHE 5 HD1 PHE 5 -11.713 -4.530 0.293 27 HE1 PHE 5 HE2 PHE 5 -13.855 -0.102 0.237 28 HE2 PHE 5 HE1 PHE 5 -13.604 -4.062 1.796 29 HZ PHE 5 HZ PHE 5 -14.677 -1.846 1.770 30 H GLN 6 H GLN 6 -7.705 -3.684 0.485 31 HA GLN 6 HA GLN 6 -9.022 -3.795 2.887 32 HB2 GLN 6 HB2 GLN 6 -6.120 -3.849 2.160 33 HB3 GLN 6 HB3 GLN 6 -6.580 -3.831 3.857 34 HG2 GLN 6 HG2 GLN 6 -7.544 -5.916 3.761 35 HG3 GLN 6 HG3 GLN 6 -7.828 -5.821 2.024 36 HE21 GLN 6 HE21 GLN 6 -5.445 -5.242 0.982 37 HE22 GLN 6 HE22 GLN 6 -4.289 -6.474 1.339 38 H THR 7 H THR 7 -6.107 -1.505 2.644 39 HA THR 7 HA THR 7 -7.730 0.699 3.526 40 HB THR 7 HB THR 7 -7.791 -0.163 5.738 41 HG1 THR 7 HG1 THR 7 -5.291 1.239 5.863 42 HG21 THR 7 HG21 THR 7 -4.961 -1.286 5.335 43 HG22 THR 7 HG22 THR 7 -6.484 -2.220 5.514 44 HG23 THR 7 HG23 THR 7 -5.848 -1.287 6.881 45 HA PRO 8 HA PRO 8 -4.448 2.949 1.698 46 HB2 PRO 8 HB2 PRO 8 -4.165 5.215 3.296 47 HB3 PRO 8 HB3 PRO 8 -5.499 4.928 2.141 48 HG2 PRO 8 HG2 PRO 8 -5.514 4.282 5.129 49 HG3 PRO 8 HG3 PRO 8 -6.706 5.281 4.233 50 HD2 PRO 8 HD2 PRO 8 -7.309 2.732 4.697 51 HD3 PRO 8 HD3 PRO 8 -7.495 3.260 2.990 52 H ASP 9 H ASP 9 -2.270 2.060 1.766 53 HA ASP 9 HA ASP 9 -0.986 1.876 4.411 54 HB2 ASP 9 HB2 ASP 9 0.819 0.739 3.441 55 HB3 ASP 9 HB3 ASP 9 -0.705 0.027 2.862 56 H ALA 10 H ALA 10 -0.364 3.543 1.229 57 HA ALA 10 HA ALA 10 0.237 6.000 2.611 58 HB1 ALA 10 HB1 ALA 10 2.647 4.380 1.567 59 HB2 ALA 10 HB2 ALA 10 2.683 6.142 1.865 60 HB3 ALA 10 HB3 ALA 10 2.391 5.006 3.206 61 H ARG 11 H ARG 11 1.483 4.406 -0.448 62 HA ARG 11 HA ARG 11 0.406 6.732 -1.956 63 HB2 ARG 11 HB2 ARG 11 2.790 5.662 -2.096 64 HB3 ARG 11 HB3 ARG 11 2.025 4.405 -3.091 65 HG2 ARG 11 HG2 ARG 11 2.100 7.472 -3.650 66 HG3 ARG 11 HG3 ARG 11 3.184 6.243 -4.349 67 HD2 ARG 11 HD2 ARG 11 1.171 5.126 -5.379 68 HD3 ARG 11 HD3 ARG 11 0.189 6.567 -4.914 69 HE ARG 11 HE ARG 11 2.489 7.510 -6.291 70 HH11 ARG 11 HH11 ARG 11 -0.423 5.507 -7.007 71 HH12 ARG 11 HH12 ARG 11 -0.343 5.887 -8.722 72 HH21 ARG 11 HH21 ARG 11 2.497 7.936 -8.498 73 HH22 ARG 11 HH22 ARG 11 1.262 7.244 -9.551 74 H VAL 12 H VAL 12 -0.113 3.128 -1.499 75 HA VAL 12 HA VAL 12 -2.639 3.421 -3.073 76 HB VAL 12 HB VAL 12 -2.172 1.260 -4.180 77 HG11 VAL 12 HG11 VAL 12 -1.351 3.339 -5.304 78 HG12 VAL 12 HG12 VAL 12 0.243 3.095 -4.531 79 HG13 VAL 12 HG13 VAL 12 -0.372 1.897 -5.697 80 HG21 VAL 12 HG21 VAL 12 0.589 1.291 -2.827 81 HG22 VAL 12 HG22 VAL 12 -0.768 0.280 -2.255 82 HG23 VAL 12 HG23 VAL 12 -0.084 0.020 -3.887 83 H ILE 13 H ILE 13 -3.714 0.871 -2.578 84 HA ILE 13 HA ILE 13 -4.184 1.238 0.341 85 HB ILE 13 HB ILE 13 -5.893 0.056 -1.790 86 HG12 ILE 13 HG12 ILE 13 -6.943 2.676 -0.986 87 HG13 ILE 13 HG13 ILE 13 -5.277 2.885 -1.528 88 HG21 ILE 13 HG21 ILE 13 -6.582 -0.637 0.454 89 HG22 ILE 13 HG22 ILE 13 -6.699 1.081 0.972 90 HG23 ILE 13 HG23 ILE 13 -7.824 0.438 -0.243 91 HD11 ILE 13 HD11 ILE 13 -5.840 1.684 -3.694 92 HD12 ILE 13 HD12 ILE 13 -7.525 1.487 -3.124 93 HD13 ILE 13 HD13 ILE 13 -6.868 3.121 -3.434 94 H SER 14 H SER 14 -3.512 -0.507 1.726 95 HA SER 14 HA SER 14 -3.183 -3.186 0.412 96 HB2 SER 14 HB2 SER 14 -1.143 -1.331 0.752 97 HB3 SER 14 HB3 SER 14 -1.023 -2.194 2.309 98 HG SER 14 HG SER 14 -0.694 -4.141 0.999 99 H ARG 15 H ARG 15 -2.528 -4.858 2.189 100 HA ARG 15 HA ARG 15 -4.441 -4.969 4.148 101 HB2 ARG 15 HB2 ARG 15 -3.327 -6.762 5.238 102 HB3 ARG 15 HB3 ARG 15 -3.028 -6.974 3.506 103 HG2 ARG 15 HG2 ARG 15 -0.974 -5.744 5.452 104 HG3 ARG 15 HG3 ARG 15 -1.101 -7.469 5.083 105 HD2 ARG 15 HD2 ARG 15 -0.375 -5.231 3.151 106 HD3 ARG 15 HD3 ARG 15 0.715 -6.481 3.690 107 HE ARG 15 HE ARG 15 -1.219 -6.630 1.503 108 HH11 ARG 15 HH11 ARG 15 0.462 -8.723 3.925 109 HH12 ARG 15 HH12 ARG 15 0.196 -10.154 2.944 110 HH21 ARG 15 HH21 ARG 15 -1.506 -8.517 0.356 111 HH22 ARG 15 HH22 ARG 15 -0.872 -10.045 0.968 112 H PHE 16 H PHE 16 -4.361 -4.915 6.554 113 HA PHE 16 HA PHE 16 -3.493 -2.254 7.232 114 HB2 PHE 16 HB2 PHE 16 -5.490 -3.725 8.231 115 HB3 PHE 16 HB3 PHE 16 -4.277 -4.245 9.416 116 HD1 PHE 16 HD1 PHE 16 -2.753 -1.977 10.224 117 HD2 PHE 16 HD2 PHE 16 -6.912 -2.073 9.122 118 HE1 PHE 16 HE1 PHE 16 -3.068 0.275 11.195 119 HE2 PHE 16 HE2 PHE 16 -7.233 0.149 10.133 120 HZ PHE 16 HZ PHE 16 -5.305 1.356 11.135 121 H GLY 17 H GLY 17 -1.384 -1.704 8.045 122 HA2 GLY 17 HA2 GLY 17 0.077 -3.612 9.690 123 HA3 GLY 17 HA3 GLY 17 0.746 -3.474 8.036 124 H PHE 18 H PHE 18 1.404 -2.209 11.065 125 HA PHE 18 HA PHE 18 2.299 0.375 9.860 126 HB2 PHE 18 HB2 PHE 18 -0.125 0.388 10.956 127 HB3 PHE 18 HB3 PHE 18 0.729 0.355 12.502 128 HD1 PHE 18 HD1 PHE 18 2.437 2.283 12.965 129 HD2 PHE 18 HD2 PHE 18 -0.248 2.362 9.597 130 HE1 PHE 18 HE1 PHE 18 2.884 4.694 12.657 131 HE2 PHE 18 HE2 PHE 18 0.141 4.787 9.348 132 HZ PHE 18 HZ PHE 18 1.728 5.958 10.858 133 H ASN 19 H ASN 19 4.248 -1.216 10.026 134 HA ASN 19 HA ASN 19 5.628 -0.519 12.560 135 HB2 ASN 19 HB2 ASN 19 4.384 -2.688 12.995 136 HB3 ASN 19 HB3 ASN 19 5.217 -3.439 11.617 137 HD21 ASN 19 HD21 ASN 19 7.732 -3.554 11.758 138 HD22 ASN 19 HD22 ASN 19 8.420 -3.640 13.335 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.379 -0.484 1.579 2 HA2 GLY 1 HA2 GLY 1 1.981 1.242 -0.779 3 HA3 GLY 1 HA3 GLY 1 3.026 0.014 -0.065 4 H THR 2 H THR 2 0.976 -2.211 -0.099 5 HA THR 2 HA THR 2 1.231 -2.779 -2.983 6 HB THR 2 HB THR 2 1.456 -4.419 -0.703 7 HG1 THR 2 HG1 THR 2 1.842 -6.010 -2.383 8 HG21 THR 2 HG21 THR 2 -0.991 -5.404 -2.295 9 HG22 THR 2 HG22 THR 2 -1.127 -4.668 -0.678 10 HG23 THR 2 HG23 THR 2 -0.225 -6.186 -0.896 11 HA PRO 3 HA PRO 3 -2.978 -1.540 -3.619 12 HB2 PRO 3 HB2 PRO 3 -3.782 -2.978 -5.848 13 HB3 PRO 3 HB3 PRO 3 -2.400 -1.841 -5.914 14 HG2 PRO 3 HG2 PRO 3 -2.254 -4.859 -5.378 15 HG3 PRO 3 HG3 PRO 3 -1.446 -3.985 -6.719 16 HD2 PRO 3 HD2 PRO 3 -0.092 -4.481 -4.407 17 HD3 PRO 3 HD3 PRO 3 0.055 -2.838 -5.141 18 H GLY 4 H GLY 4 -5.312 -2.267 -3.750 19 HA2 GLY 4 HA2 GLY 4 -6.559 -4.582 -3.370 20 HA3 GLY 4 HA3 GLY 4 -5.738 -4.415 -1.825 21 H PHE 5 H PHE 5 -7.908 -4.435 -0.923 22 HA PHE 5 HA PHE 5 -9.140 -1.763 -1.041 23 HB2 PHE 5 HB2 PHE 5 -10.783 -3.015 -2.089 24 HB3 PHE 5 HB3 PHE 5 -10.413 -4.466 -1.163 25 HD1 PHE 5 HD1 PHE 5 -12.076 -1.181 -1.044 26 HD2 PHE 5 HD2 PHE 5 -11.507 -4.933 0.882 27 HE1 PHE 5 HE1 PHE 5 -13.946 -0.680 0.475 28 HE2 PHE 5 HE2 PHE 5 -13.377 -4.439 2.404 29 HZ PHE 5 HZ PHE 5 -14.599 -2.311 2.201 30 H GLN 6 H GLN 6 -7.559 -3.994 0.828 31 HA GLN 6 HA GLN 6 -8.805 -4.094 3.267 32 HB2 GLN 6 HB2 GLN 6 -5.855 -3.743 2.712 33 HB3 GLN 6 HB3 GLN 6 -6.527 -4.222 4.265 34 HG2 GLN 6 HG2 GLN 6 -6.374 -6.325 3.605 35 HG3 GLN 6 HG3 GLN 6 -7.634 -5.990 2.418 36 HE21 GLN 6 HE21 GLN 6 -4.636 -7.222 2.795 37 HE22 GLN 6 HE22 GLN 6 -4.016 -6.999 1.198 38 H THR 7 H THR 7 -6.096 -1.559 2.755 39 HA THR 7 HA THR 7 -7.837 0.471 3.850 40 HB THR 7 HB THR 7 -6.585 -1.252 5.721 41 HG1 THR 7 HG1 THR 7 -8.189 0.380 6.281 42 HG21 THR 7 HG21 THR 7 -4.713 -0.023 6.779 43 HG22 THR 7 HG22 THR 7 -4.781 1.250 5.566 44 HG23 THR 7 HG23 THR 7 -4.278 -0.409 5.106 45 HA PRO 8 HA PRO 8 -4.864 2.907 1.540 46 HB2 PRO 8 HB2 PRO 8 -4.743 5.307 2.868 47 HB3 PRO 8 HB3 PRO 8 -6.177 4.750 1.955 48 HG2 PRO 8 HG2 PRO 8 -5.715 4.453 4.961 49 HG3 PRO 8 HG3 PRO 8 -7.131 5.198 4.158 50 HD2 PRO 8 HD2 PRO 8 -7.232 2.612 4.968 51 HD3 PRO 8 HD3 PRO 8 -7.881 2.990 3.328 52 H ASP 9 H ASP 9 -2.596 2.194 1.587 53 HA ASP 9 HA ASP 9 -1.255 2.253 4.198 54 HB2 ASP 9 HB2 ASP 9 0.590 1.156 3.287 55 HB3 ASP 9 HB3 ASP 9 -0.899 0.360 2.720 56 H ALA 10 H ALA 10 -0.751 3.744 0.909 57 HA ALA 10 HA ALA 10 -0.187 6.302 2.173 58 HB1 ALA 10 HB1 ALA 10 2.171 4.695 1.018 59 HB2 ALA 10 HB2 ALA 10 2.189 6.475 1.233 60 HB3 ALA 10 HB3 ALA 10 2.013 5.392 2.643 61 H ARG 11 H ARG 11 1.040 4.886 -1.004 62 HA ARG 11 HA ARG 11 -0.613 6.926 -2.366 63 HB2 ARG 11 HB2 ARG 11 1.734 6.505 -3.094 64 HB3 ARG 11 HB3 ARG 11 1.287 4.824 -3.525 65 HG2 ARG 11 HG2 ARG 11 -0.429 5.725 -5.140 66 HG3 ARG 11 HG3 ARG 11 0.068 7.397 -4.755 67 HD2 ARG 11 HD2 ARG 11 2.003 5.297 -5.972 68 HD3 ARG 11 HD3 ARG 11 0.958 6.329 -6.912 69 HE ARG 11 HE ARG 11 2.078 8.267 -6.496 70 HH11 ARG 11 HH11 ARG 11 3.601 5.651 -4.498 71 HH12 ARG 11 HH12 ARG 11 5.054 6.607 -4.272 72 HH21 ARG 11 HH21 ARG 11 3.972 9.374 -6.125 73 HH22 ARG 11 HH22 ARG 11 5.260 8.665 -5.155 74 H VAL 12 H VAL 12 -0.533 3.303 -1.802 75 HA VAL 12 HA VAL 12 -3.190 3.163 -3.199 76 HB VAL 12 HB VAL 12 -2.510 1.043 -4.212 77 HG11 VAL 12 HG11 VAL 12 -0.819 1.796 -5.816 78 HG12 VAL 12 HG12 VAL 12 -1.982 3.110 -5.483 79 HG13 VAL 12 HG13 VAL 12 -0.350 3.149 -4.754 80 HG21 VAL 12 HG21 VAL 12 0.283 1.424 -2.991 81 HG22 VAL 12 HG22 VAL 12 -0.938 0.322 -2.294 82 HG23 VAL 12 HG23 VAL 12 -0.311 0.033 -3.942 83 H ILE 13 H ILE 13 -3.880 0.520 -2.508 84 HA ILE 13 HA ILE 13 -4.382 1.097 0.372 85 HB ILE 13 HB ILE 13 -6.045 -0.279 -1.681 86 HG12 ILE 13 HG12 ILE 13 -7.185 2.362 -1.062 87 HG13 ILE 13 HG13 ILE 13 -5.531 2.579 -1.624 88 HG21 ILE 13 HG21 ILE 13 -8.007 0.149 -0.198 89 HG22 ILE 13 HG22 ILE 13 -6.755 -0.832 0.608 90 HG23 ILE 13 HG23 ILE 13 -6.935 0.919 0.982 91 HD11 ILE 13 HD11 ILE 13 -7.739 0.994 -3.091 92 HD12 ILE 13 HD12 ILE 13 -7.140 2.619 -3.532 93 HD13 ILE 13 HD13 ILE 13 -6.065 1.203 -3.689 94 H SER 14 H SER 14 -3.431 -0.492 1.810 95 HA SER 14 HA SER 14 -3.072 -3.242 0.640 96 HB2 SER 14 HB2 SER 14 -1.000 -1.588 0.825 97 HB3 SER 14 HB3 SER 14 -1.110 -1.888 2.576 98 HG SER 14 HG SER 14 0.251 -3.541 1.640 99 H ARG 15 H ARG 15 -2.324 -4.832 2.400 100 HA ARG 15 HA ARG 15 -4.239 -5.127 4.275 101 HB2 ARG 15 HB2 ARG 15 -3.034 -6.687 5.559 102 HB3 ARG 15 HB3 ARG 15 -2.600 -6.983 3.865 103 HG2 ARG 15 HG2 ARG 15 -0.796 -5.508 5.878 104 HG3 ARG 15 HG3 ARG 15 -0.745 -7.235 5.520 105 HD2 ARG 15 HD2 ARG 15 -0.178 -4.957 3.592 106 HD3 ARG 15 HD3 ARG 15 1.037 -6.057 4.199 107 HE ARG 15 HE ARG 15 -0.760 -6.467 1.934 108 HH11 ARG 15 HH11 ARG 15 1.021 -8.310 4.484 109 HH12 ARG 15 HH12 ARG 15 0.939 -9.789 3.543 110 HH21 ARG 15 HH21 ARG 15 -0.811 -8.410 0.840 111 HH22 ARG 15 HH22 ARG 15 -0.050 -9.846 1.523 112 H PHE 16 H PHE 16 -4.647 -4.453 6.449 113 HA PHE 16 HA PHE 16 -3.470 -2.033 7.297 114 HB2 PHE 16 HB2 PHE 16 -5.677 -2.716 8.074 115 HB3 PHE 16 HB3 PHE 16 -4.984 -4.119 8.880 116 HD1 PHE 16 HD1 PHE 16 -5.267 -0.455 8.944 117 HD2 PHE 16 HD2 PHE 16 -3.930 -3.930 11.005 118 HE1 PHE 16 HE1 PHE 16 -4.960 0.880 10.988 119 HE2 PHE 16 HE2 PHE 16 -3.621 -2.602 13.053 120 HZ PHE 16 HZ PHE 16 -4.137 -0.194 13.047 121 H GLY 17 H GLY 17 -1.857 -1.564 8.959 122 HA2 GLY 17 HA2 GLY 17 -0.627 -2.784 10.821 123 HA3 GLY 17 HA3 GLY 17 -0.060 -3.918 9.577 124 H PHE 18 H PHE 18 0.696 -0.834 11.034 125 HA PHE 18 HA PHE 18 2.214 0.032 8.614 126 HB2 PHE 18 HB2 PHE 18 1.822 1.456 11.292 127 HB3 PHE 18 HB3 PHE 18 2.502 2.141 9.795 128 HD1 PHE 18 HD2 PHE 18 0.968 1.929 7.621 129 HD2 PHE 18 HD1 PHE 18 -0.550 1.710 11.647 130 HE1 PHE 18 HE2 PHE 18 -1.325 2.313 6.782 131 HE2 PHE 18 HE1 PHE 18 -2.817 2.204 10.810 132 HZ PHE 18 HZ PHE 18 -3.232 2.430 8.369 133 H ASN 19 H ASN 19 3.650 -1.931 8.762 134 HA ASN 19 HA ASN 19 5.737 -2.765 9.234 135 HB2 ASN 19 HB2 ASN 19 6.207 -0.243 8.854 136 HB3 ASN 19 HB3 ASN 19 6.354 -0.114 10.628 137 HD21 ASN 19 HD21 ASN 19 8.544 0.622 9.138 138 HD22 ASN 19 HD22 ASN 19 9.775 -0.580 9.251 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.557 -0.404 1.467 2 HA2 GLY 1 HA2 GLY 1 1.972 1.326 -0.928 3 HA3 GLY 1 HA3 GLY 1 3.076 0.112 -0.287 4 H THR 2 H THR 2 1.062 -2.151 -0.186 5 HA THR 2 HA THR 2 1.151 -2.723 -3.069 6 HB THR 2 HB THR 2 1.400 -4.378 -0.810 7 HG1 THR 2 HG1 THR 2 1.668 -5.966 -2.520 8 HG21 THR 2 HG21 THR 2 -1.139 -5.250 -2.319 9 HG22 THR 2 HG22 THR 2 -1.182 -4.535 -0.685 10 HG23 THR 2 HG23 THR 2 -0.342 -6.082 -0.961 11 HA PRO 3 HA PRO 3 -3.025 -1.295 -3.545 12 HB2 PRO 3 HB2 PRO 3 -3.935 -2.635 -5.789 13 HB3 PRO 3 HB3 PRO 3 -2.506 -1.553 -5.856 14 HG2 PRO 3 HG2 PRO 3 -2.484 -4.588 -5.410 15 HG3 PRO 3 HG3 PRO 3 -1.670 -3.708 -6.747 16 HD2 PRO 3 HD2 PRO 3 -0.285 -4.333 -4.479 17 HD3 PRO 3 HD3 PRO 3 -0.079 -2.682 -5.182 18 H GLY 4 H GLY 4 -5.390 -1.948 -3.647 19 HA2 GLY 4 HA2 GLY 4 -6.701 -4.231 -3.269 20 HA3 GLY 4 HA3 GLY 4 -5.832 -4.112 -1.746 21 H PHE 5 H PHE 5 -7.976 -4.077 -0.782 22 HA PHE 5 HA PHE 5 -9.129 -1.367 -0.836 23 HB2 PHE 5 HB2 PHE 5 -10.849 -2.545 -1.834 24 HB3 PHE 5 HB3 PHE 5 -10.479 -4.029 -0.962 25 HD1 PHE 5 HD1 PHE 5 -12.091 -0.732 -0.724 26 HD2 PHE 5 HD2 PHE 5 -11.470 -4.505 1.145 27 HE1 PHE 5 HE1 PHE 5 -13.888 -0.230 0.879 28 HE2 PHE 5 HE2 PHE 5 -13.267 -4.010 2.750 29 HZ PHE 5 HZ PHE 5 -14.479 -1.870 2.619 30 H GLN 6 H GLN 6 -7.569 -3.675 0.965 31 HA GLN 6 HA GLN 6 -8.738 -3.758 3.439 32 HB2 GLN 6 HB2 GLN 6 -5.801 -3.501 2.777 33 HB3 GLN 6 HB3 GLN 6 -6.423 -3.940 4.363 34 HG2 GLN 6 HG2 GLN 6 -6.105 -6.026 3.602 35 HG3 GLN 6 HG3 GLN 6 -7.686 -5.769 2.867 36 HE21 GLN 6 HE21 GLN 6 -4.262 -5.959 2.316 37 HE22 GLN 6 HE22 GLN 6 -4.339 -6.084 0.595 38 H THR 7 H THR 7 -5.959 -1.298 2.914 39 HA THR 7 HA THR 7 -7.614 0.783 4.006 40 HB THR 7 HB THR 7 -6.663 -1.057 5.914 41 HG1 THR 7 HG1 THR 7 -8.226 0.646 6.347 42 HG21 THR 7 HG21 THR 7 -4.704 1.319 6.003 43 HG22 THR 7 HG22 THR 7 -4.283 -0.367 5.548 44 HG23 THR 7 HG23 THR 7 -4.890 0.007 7.196 45 HA PRO 8 HA PRO 8 -4.611 3.103 1.814 46 HB2 PRO 8 HB2 PRO 8 -4.321 5.479 3.209 47 HB3 PRO 8 HB3 PRO 8 -5.794 5.011 2.301 48 HG2 PRO 8 HG2 PRO 8 -5.287 4.607 5.291 49 HG3 PRO 8 HG3 PRO 8 -6.683 5.442 4.536 50 HD2 PRO 8 HD2 PRO 8 -6.899 2.854 5.275 51 HD3 PRO 8 HD3 PRO 8 -7.542 3.303 3.648 52 H ASP 9 H ASP 9 -2.344 2.399 1.717 53 HA ASP 9 HA ASP 9 -0.872 2.344 4.277 54 HB2 ASP 9 HB2 ASP 9 0.871 1.194 3.226 55 HB3 ASP 9 HB3 ASP 9 -0.680 0.450 2.773 56 H ALA 10 H ALA 10 -0.481 3.850 0.962 57 HA ALA 10 HA ALA 10 0.251 6.367 2.223 58 HB1 ALA 10 HB1 ALA 10 2.461 4.668 0.940 59 HB2 ALA 10 HB2 ALA 10 2.574 6.448 1.171 60 HB3 ALA 10 HB3 ALA 10 2.422 5.356 2.581 61 H ARG 11 H ARG 11 1.304 5.024 -1.059 62 HA ARG 11 HA ARG 11 -0.338 7.136 -2.286 63 HB2 ARG 11 HB2 ARG 11 1.850 6.578 -3.301 64 HB3 ARG 11 HB3 ARG 11 1.301 4.902 -3.579 65 HG2 ARG 11 HG2 ARG 11 -0.599 5.790 -5.002 66 HG3 ARG 11 HG3 ARG 11 -0.003 7.454 -4.790 67 HD2 ARG 11 HD2 ARG 11 1.729 5.226 -6.026 68 HD3 ARG 11 HD3 ARG 11 0.535 6.179 -6.969 69 HE ARG 11 HE ARG 11 2.263 8.002 -5.608 70 HH11 ARG 11 HH11 ARG 11 2.303 5.619 -8.321 71 HH12 ARG 11 HH12 ARG 11 3.444 6.585 -9.244 72 HH21 ARG 11 HH21 ARG 11 3.734 9.160 -6.878 73 HH22 ARG 11 HH22 ARG 11 4.253 8.536 -8.444 74 H VAL 12 H VAL 12 -0.342 3.481 -1.923 75 HA VAL 12 HA VAL 12 -3.118 3.480 -3.090 76 HB VAL 12 HB VAL 12 -2.632 1.394 -4.182 77 HG11 VAL 12 HG11 VAL 12 -0.953 2.062 -5.823 78 HG12 VAL 12 HG12 VAL 12 -1.963 3.468 -5.384 79 HG13 VAL 12 HG13 VAL 12 -0.304 3.312 -4.739 80 HG21 VAL 12 HG21 VAL 12 -0.511 0.205 -4.039 81 HG22 VAL 12 HG22 VAL 12 0.220 1.515 -3.058 82 HG23 VAL 12 HG23 VAL 12 -1.072 0.485 -2.359 83 H ILE 13 H ILE 13 -3.769 0.751 -2.359 84 HA ILE 13 HA ILE 13 -4.215 1.347 0.531 85 HB ILE 13 HB ILE 13 -5.976 0.057 -1.522 86 HG12 ILE 13 HG12 ILE 13 -7.126 2.620 -0.823 87 HG13 ILE 13 HG13 ILE 13 -5.435 2.944 -1.203 88 HG21 ILE 13 HG21 ILE 13 -6.593 -0.595 0.769 89 HG22 ILE 13 HG22 ILE 13 -6.703 1.134 1.244 90 HG23 ILE 13 HG23 ILE 13 -7.850 0.455 0.076 91 HD11 ILE 13 HD11 ILE 13 -5.748 1.747 -3.437 92 HD12 ILE 13 HD12 ILE 13 -7.458 1.453 -3.000 93 HD13 ILE 13 HD13 ILE 13 -6.868 3.121 -3.242 94 H SER 14 H SER 14 -3.217 -0.259 1.884 95 HA SER 14 HA SER 14 -2.998 -3.011 0.688 96 HB2 SER 14 HB2 SER 14 -0.858 -1.457 0.828 97 HB3 SER 14 HB3 SER 14 -0.932 -1.775 2.581 98 HG SER 14 HG SER 14 0.330 -3.466 1.593 99 H ARG 15 H ARG 15 -2.180 -4.599 2.457 100 HA ARG 15 HA ARG 15 -4.165 -4.820 4.351 101 HB2 ARG 15 HB2 ARG 15 -3.041 -6.479 5.594 102 HB3 ARG 15 HB3 ARG 15 -2.741 -6.811 3.876 103 HG2 ARG 15 HG2 ARG 15 -0.716 -5.497 5.808 104 HG3 ARG 15 HG3 ARG 15 -0.821 -7.226 5.458 105 HD2 ARG 15 HD2 ARG 15 -0.095 -4.998 3.519 106 HD3 ARG 15 HD3 ARG 15 1.015 -6.219 4.085 107 HE ARG 15 HE ARG 15 -0.890 -6.425 1.874 108 HH11 ARG 15 HH11 ARG 15 0.794 -8.456 4.345 109 HH12 ARG 15 HH12 ARG 15 0.571 -9.906 3.382 110 HH21 ARG 15 HH21 ARG 15 -1.124 -8.334 0.745 111 HH22 ARG 15 HH22 ARG 15 -0.472 -9.843 1.384 112 H PHE 16 H PHE 16 -4.445 -4.255 6.592 113 HA PHE 16 HA PHE 16 -3.132 -1.824 7.342 114 HB2 PHE 16 HB2 PHE 16 -4.195 -2.124 9.577 115 HB3 PHE 16 HB3 PHE 16 -5.362 -2.438 8.276 116 HD1 PHE 16 HD2 PHE 16 -3.083 -4.082 10.779 117 HD2 PHE 16 HD1 PHE 16 -6.418 -4.646 8.113 118 HE1 PHE 16 HE2 PHE 16 -3.370 -6.388 11.618 119 HE2 PHE 16 HE1 PHE 16 -6.698 -6.949 8.956 120 HZ PHE 16 HZ PHE 16 -5.166 -7.837 10.698 121 H GLY 17 H GLY 17 -1.667 -1.543 9.310 122 HA2 GLY 17 HA2 GLY 17 -0.306 -3.020 10.880 123 HA3 GLY 17 HA3 GLY 17 0.313 -3.820 9.416 124 H PHE 18 H PHE 18 1.337 -1.458 11.558 125 HA PHE 18 HA PHE 18 2.283 0.459 9.523 126 HB2 PHE 18 HB2 PHE 18 2.959 0.206 12.508 127 HB3 PHE 18 HB3 PHE 18 3.493 1.513 11.426 128 HD1 PHE 18 HD1 PHE 18 1.707 2.880 10.158 129 HD2 PHE 18 HD2 PHE 18 0.739 0.376 13.526 130 HE1 PHE 18 HE1 PHE 18 -0.420 4.104 10.461 131 HE2 PHE 18 HE2 PHE 18 -1.367 1.630 13.846 132 HZ PHE 18 HZ PHE 18 -1.959 3.491 12.312 133 H ASN 19 H ASN 19 3.324 -1.279 8.134 134 HA ASN 19 HA ASN 19 5.210 -2.411 7.423 135 HB2 ASN 19 HB2 ASN 19 6.646 -0.497 9.359 136 HB3 ASN 19 HB3 ASN 19 7.372 -1.387 8.007 137 HD21 ASN 19 HD21 ASN 19 4.975 1.261 8.808 138 HD22 ASN 19 HD22 ASN 19 5.010 1.943 7.228 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.255 -0.812 1.815 2 HA2 GLY 1 HA2 GLY 1 2.135 0.832 -0.513 3 HA3 GLY 1 HA3 GLY 1 3.029 -0.467 0.274 4 H THR 2 H THR 2 0.856 -2.549 0.115 5 HA THR 2 HA THR 2 1.226 -3.142 -2.744 6 HB THR 2 HB THR 2 1.238 -4.781 -0.470 7 HG1 THR 2 HG1 THR 2 1.567 -6.407 -2.126 8 HG21 THR 2 HG21 THR 2 -1.354 -4.844 -0.532 9 HG22 THR 2 HG22 THR 2 -0.558 -6.424 -0.718 10 HG23 THR 2 HG23 THR 2 -1.219 -5.595 -2.142 11 HA PRO 3 HA PRO 3 -2.855 -1.638 -3.623 12 HB2 PRO 3 HB2 PRO 3 -3.610 -3.014 -5.904 13 HB3 PRO 3 HB3 PRO 3 -2.152 -1.975 -5.880 14 HG2 PRO 3 HG2 PRO 3 -2.251 -4.996 -5.349 15 HG3 PRO 3 HG3 PRO 3 -1.299 -4.182 -6.633 16 HD2 PRO 3 HD2 PRO 3 -0.135 -4.768 -4.236 17 HD3 PRO 3 HD3 PRO 3 0.177 -3.145 -4.964 18 H GLY 4 H GLY 4 -5.224 -2.219 -3.906 19 HA2 GLY 4 HA2 GLY 4 -6.626 -4.458 -3.592 20 HA3 GLY 4 HA3 GLY 4 -5.886 -4.325 -2.004 21 H PHE 5 H PHE 5 -8.104 -4.210 -1.230 22 HA PHE 5 HA PHE 5 -9.169 -1.472 -1.438 23 HB2 PHE 5 HB2 PHE 5 -10.817 -2.645 -2.567 24 HB3 PHE 5 HB3 PHE 5 -10.588 -4.100 -1.602 25 HD1 PHE 5 HD2 PHE 5 -11.885 -0.626 -1.429 26 HD2 PHE 5 HD1 PHE 5 -11.997 -4.562 0.188 27 HE1 PHE 5 HE2 PHE 5 -13.805 0.007 -0.028 28 HE2 PHE 5 HE1 PHE 5 -13.918 -3.935 1.591 29 HZ PHE 5 HZ PHE 5 -14.824 -1.647 1.485 30 H GLN 6 H GLN 6 -7.827 -3.769 0.537 31 HA GLN 6 HA GLN 6 -9.211 -3.764 2.903 32 HB2 GLN 6 HB2 GLN 6 -6.220 -3.605 2.504 33 HB3 GLN 6 HB3 GLN 6 -6.999 -4.010 4.027 34 HG2 GLN 6 HG2 GLN 6 -6.669 -6.111 3.314 35 HG3 GLN 6 HG3 GLN 6 -8.169 -5.819 2.435 36 HE21 GLN 6 HE21 GLN 6 -4.705 -6.065 2.200 37 HE22 GLN 6 HE22 GLN 6 -4.632 -6.222 0.481 38 H THR 7 H THR 7 -6.331 -1.405 2.512 39 HA THR 7 HA THR 7 -8.004 0.750 3.464 40 HB THR 7 HB THR 7 -6.991 -1.014 5.437 41 HG1 THR 7 HG1 THR 7 -8.516 0.725 5.869 42 HG21 THR 7 HG21 THR 7 -5.021 1.362 5.367 43 HG22 THR 7 HG22 THR 7 -4.595 -0.332 4.952 44 HG23 THR 7 HG23 THR 7 -5.110 0.098 6.592 45 HA PRO 8 HA PRO 8 -4.730 2.974 1.338 46 HB2 PRO 8 HB2 PRO 8 -4.544 5.371 2.658 47 HB3 PRO 8 HB3 PRO 8 -5.945 4.897 1.653 48 HG2 PRO 8 HG2 PRO 8 -5.711 4.600 4.685 49 HG3 PRO 8 HG3 PRO 8 -7.017 5.429 3.785 50 HD2 PRO 8 HD2 PRO 8 -7.342 2.864 4.596 51 HD3 PRO 8 HD3 PRO 8 -7.849 3.262 2.912 52 H ASP 9 H ASP 9 -2.515 2.140 1.532 53 HA ASP 9 HA ASP 9 -1.342 2.158 4.228 54 HB2 ASP 9 HB2 ASP 9 0.480 0.920 3.458 55 HB3 ASP 9 HB3 ASP 9 -1.020 0.216 2.807 56 H ALA 10 H ALA 10 -0.525 3.533 0.952 57 HA ALA 10 HA ALA 10 0.171 6.062 2.218 58 HB1 ALA 10 HB1 ALA 10 2.261 4.974 2.794 59 HB2 ALA 10 HB2 ALA 10 2.433 4.251 1.184 60 HB3 ALA 10 HB3 ALA 10 2.596 6.023 1.388 61 H ARG 11 H ARG 11 1.438 4.544 -0.897 62 HA ARG 11 HA ARG 11 -0.032 6.670 -2.331 63 HB2 ARG 11 HB2 ARG 11 2.320 6.063 -2.979 64 HB3 ARG 11 HB3 ARG 11 1.746 4.436 -3.429 65 HG2 ARG 11 HG2 ARG 11 0.175 5.490 -5.119 66 HG3 ARG 11 HG3 ARG 11 0.765 7.105 -4.649 67 HD2 ARG 11 HD2 ARG 11 2.541 4.860 -5.764 68 HD3 ARG 11 HD3 ARG 11 1.803 6.038 -6.826 69 HE ARG 11 HE ARG 11 4.153 6.383 -5.111 70 HH11 ARG 11 HH11 ARG 11 1.442 8.238 -6.639 71 HH12 ARG 11 HH12 ARG 11 2.409 9.701 -6.706 72 HH21 ARG 11 HH21 ARG 11 5.278 8.317 -5.249 73 HH22 ARG 11 HH22 ARG 11 4.520 9.755 -5.934 74 H VAL 12 H VAL 12 -0.201 3.057 -1.753 75 HA VAL 12 HA VAL 12 -2.780 3.058 -3.293 76 HB VAL 12 HB VAL 12 -2.172 0.888 -4.241 77 HG11 VAL 12 HG11 VAL 12 0.144 2.849 -4.672 78 HG12 VAL 12 HG12 VAL 12 -0.340 1.511 -5.745 79 HG13 VAL 12 HG13 VAL 12 -1.440 2.897 -5.498 80 HG21 VAL 12 HG21 VAL 12 -0.066 -0.255 -3.826 81 HG22 VAL 12 HG22 VAL 12 0.559 1.108 -2.854 82 HG23 VAL 12 HG23 VAL 12 -0.771 0.095 -2.222 83 H ILE 13 H ILE 13 -3.665 0.469 -2.615 84 HA ILE 13 HA ILE 13 -4.314 1.130 0.212 85 HB ILE 13 HB ILE 13 -5.927 -0.202 -1.908 86 HG12 ILE 13 HG12 ILE 13 -6.954 2.511 -1.480 87 HG13 ILE 13 HG13 ILE 13 -5.246 2.630 -1.888 88 HG21 ILE 13 HG21 ILE 13 -7.948 0.400 -0.567 89 HG22 ILE 13 HG22 ILE 13 -6.810 -0.616 0.353 90 HG23 ILE 13 HG23 ILE 13 -6.903 1.157 0.647 91 HD11 ILE 13 HD11 ILE 13 -6.670 2.686 -3.942 92 HD12 ILE 13 HD12 ILE 13 -5.670 1.208 -3.960 93 HD13 ILE 13 HD13 ILE 13 -7.398 1.114 -3.507 94 H SER 14 H SER 14 -3.482 -0.461 1.718 95 HA SER 14 HA SER 14 -3.239 -3.260 0.631 96 HB2 SER 14 HB2 SER 14 -1.088 -1.732 0.937 97 HB3 SER 14 HB3 SER 14 -1.337 -2.003 2.681 98 HG SER 14 HG SER 14 -0.024 -3.751 1.873 99 H ARG 15 H ARG 15 -2.603 -4.799 2.508 100 HA ARG 15 HA ARG 15 -4.762 -4.923 4.221 101 HB2 ARG 15 HB2 ARG 15 -3.815 -6.603 5.575 102 HB3 ARG 15 HB3 ARG 15 -3.376 -6.988 3.905 103 HG2 ARG 15 HG2 ARG 15 -1.476 -5.705 5.973 104 HG3 ARG 15 HG3 ARG 15 -1.617 -7.434 5.642 105 HD2 ARG 15 HD2 ARG 15 -0.635 -5.280 3.735 106 HD3 ARG 15 HD3 ARG 15 0.357 -6.548 4.403 107 HE ARG 15 HE ARG 15 -1.370 -6.695 2.049 108 HH11 ARG 15 HH11 ARG 15 0.015 -8.768 4.670 109 HH12 ARG 15 HH12 ARG 15 -0.201 -10.217 3.704 110 HH21 ARG 15 HH21 ARG 15 -1.606 -8.609 0.929 111 HH22 ARG 15 HH22 ARG 15 -1.077 -10.135 1.636 112 H PHE 16 H PHE 16 -5.238 -4.278 6.368 113 HA PHE 16 HA PHE 16 -3.955 -1.940 7.241 114 HB2 PHE 16 HB2 PHE 16 -6.206 -2.584 7.982 115 HB3 PHE 16 HB3 PHE 16 -5.531 -3.953 8.859 116 HD1 PHE 16 HD1 PHE 16 -5.733 -0.278 8.736 117 HD2 PHE 16 HD2 PHE 16 -4.555 -3.684 11.001 118 HE1 PHE 16 HE1 PHE 16 -5.439 1.147 10.721 119 HE2 PHE 16 HE2 PHE 16 -4.261 -2.265 12.989 120 HZ PHE 16 HZ PHE 16 -4.704 0.154 12.851 121 H GLY 17 H GLY 17 -2.183 -1.513 8.633 122 HA2 GLY 17 HA2 GLY 17 -1.032 -2.865 10.568 123 HA3 GLY 17 HA3 GLY 17 -0.450 -3.871 9.212 124 H PHE 18 H PHE 18 0.875 -1.526 11.084 125 HA PHE 18 HA PHE 18 2.614 -0.673 8.866 126 HB2 PHE 18 HB2 PHE 18 0.847 1.000 8.566 127 HB3 PHE 18 HB3 PHE 18 0.740 1.268 10.322 128 HD1 PHE 18 HD2 PHE 18 3.321 1.307 7.530 129 HD2 PHE 18 HD1 PHE 18 1.935 3.197 11.143 130 HE1 PHE 18 HE2 PHE 18 5.199 2.913 7.415 131 HE2 PHE 18 HE1 PHE 18 3.787 4.824 10.999 132 HZ PHE 18 HZ PHE 18 5.445 4.669 9.155 133 H ASN 19 H ASN 19 4.334 -1.694 10.128 134 HA ASN 19 HA ASN 19 4.828 -0.596 12.846 135 HB2 ASN 19 HB2 ASN 19 6.566 -2.403 11.063 136 HB3 ASN 19 HB3 ASN 19 6.858 -2.010 12.781 137 HD21 ASN 19 HD21 ASN 19 6.810 -4.616 12.578 138 HD22 ASN 19 HD22 ASN 19 5.272 -5.304 12.955 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.486 -0.914 2.025 2 HA2 GLY 1 HA2 GLY 1 2.339 0.849 -0.232 3 HA3 GLY 1 HA3 GLY 1 3.254 -0.476 0.489 4 H THR 2 H THR 2 0.987 -2.520 0.241 5 HA THR 2 HA THR 2 1.400 -3.012 -2.642 6 HB THR 2 HB THR 2 1.381 -4.739 -0.431 7 HG1 THR 2 HG1 THR 2 1.702 -6.299 -2.157 8 HG21 THR 2 HG21 THR 2 -1.076 -5.446 -2.158 9 HG22 THR 2 HG22 THR 2 -1.210 -4.775 -0.510 10 HG23 THR 2 HG23 THR 2 -0.433 -6.357 -0.771 11 HA PRO 3 HA PRO 3 -2.637 -1.390 -3.465 12 HB2 PRO 3 HB2 PRO 3 -3.411 -2.651 -5.806 13 HB3 PRO 3 HB3 PRO 3 -1.934 -1.637 -5.731 14 HG2 PRO 3 HG2 PRO 3 -2.089 -4.677 -5.337 15 HG3 PRO 3 HG3 PRO 3 -1.120 -3.819 -6.581 16 HD2 PRO 3 HD2 PRO 3 0.028 -4.539 -4.211 17 HD3 PRO 3 HD3 PRO 3 0.368 -2.887 -4.860 18 H GLY 4 H GLY 4 -5.012 -1.899 -3.770 19 HA2 GLY 4 HA2 GLY 4 -6.474 -4.112 -3.572 20 HA3 GLY 4 HA3 GLY 4 -5.734 -4.081 -1.978 21 H PHE 5 H PHE 5 -7.951 -3.948 -1.203 22 HA PHE 5 HA PHE 5 -8.941 -1.175 -1.269 23 HB2 PHE 5 HB2 PHE 5 -10.634 -2.213 -2.445 24 HB3 PHE 5 HB3 PHE 5 -10.418 -3.747 -1.609 25 HD1 PHE 5 HD1 PHE 5 -11.753 -0.318 -1.238 26 HD2 PHE 5 HD2 PHE 5 -11.725 -4.303 0.257 27 HE1 PHE 5 HE1 PHE 5 -13.651 0.223 0.230 28 HE2 PHE 5 HE2 PHE 5 -13.624 -3.769 1.727 29 HZ PHE 5 HZ PHE 5 -14.590 -1.504 1.714 30 H GLN 6 H GLN 6 -7.677 -3.617 0.584 31 HA GLN 6 HA GLN 6 -9.065 -3.698 2.944 32 HB2 GLN 6 HB2 GLN 6 -6.068 -3.590 2.572 33 HB3 GLN 6 HB3 GLN 6 -6.872 -4.072 4.059 34 HG2 GLN 6 HG2 GLN 6 -6.546 -6.127 3.198 35 HG3 GLN 6 HG3 GLN 6 -8.066 -5.762 2.384 36 HE21 GLN 6 HE21 GLN 6 -4.724 -6.381 2.026 37 HE22 GLN 6 HE22 GLN 6 -4.659 -6.290 0.302 38 H THR 7 H THR 7 -6.102 -1.396 2.770 39 HA THR 7 HA THR 7 -7.754 0.748 3.742 40 HB THR 7 HB THR 7 -7.116 -1.132 5.690 41 HG1 THR 7 HG1 THR 7 -7.653 0.626 7.155 42 HG21 THR 7 HG21 THR 7 -4.643 -0.676 5.521 43 HG22 THR 7 HG22 THR 7 -5.306 -0.263 7.130 44 HG23 THR 7 HG23 THR 7 -4.938 1.035 5.972 45 HA PRO 8 HA PRO 8 -4.414 2.936 1.864 46 HB2 PRO 8 HB2 PRO 8 -4.151 5.280 3.292 47 HB3 PRO 8 HB3 PRO 8 -5.541 4.898 2.230 48 HG2 PRO 8 HG2 PRO 8 -5.387 4.467 5.249 49 HG3 PRO 8 HG3 PRO 8 -6.648 5.372 4.351 50 HD2 PRO 8 HD2 PRO 8 -7.081 2.800 5.052 51 HD3 PRO 8 HD3 PRO 8 -7.513 3.268 3.363 52 H ASP 9 H ASP 9 -2.215 2.086 1.991 53 HA ASP 9 HA ASP 9 -0.996 1.948 4.668 54 HB2 ASP 9 HB2 ASP 9 0.822 0.776 3.773 55 HB3 ASP 9 HB3 ASP 9 -0.694 0.080 3.153 56 H ALA 10 H ALA 10 -0.264 3.529 1.469 57 HA ALA 10 HA ALA 10 0.380 6.003 2.825 58 HB1 ALA 10 HB1 ALA 10 2.489 4.951 3.448 59 HB2 ALA 10 HB2 ALA 10 2.733 4.284 1.822 60 HB3 ALA 10 HB3 ALA 10 2.832 6.051 2.086 61 H ARG 11 H ARG 11 1.615 4.356 -0.216 62 HA ARG 11 HA ARG 11 0.513 6.656 -1.745 63 HB2 ARG 11 HB2 ARG 11 2.913 5.546 -1.908 64 HB3 ARG 11 HB3 ARG 11 2.105 4.344 -2.935 65 HG2 ARG 11 HG2 ARG 11 2.267 7.418 -3.360 66 HG3 ARG 11 HG3 ARG 11 3.239 6.178 -4.193 67 HD2 ARG 11 HD2 ARG 11 1.121 5.231 -5.182 68 HD3 ARG 11 HD3 ARG 11 0.228 6.651 -4.515 69 HE ARG 11 HE ARG 11 2.441 7.676 -5.959 70 HH11 ARG 11 HH11 ARG 11 -0.586 5.842 -6.634 71 HH12 ARG 11 HH12 ARG 11 -0.672 6.459 -8.279 72 HH21 ARG 11 HH21 ARG 11 2.239 8.412 -8.072 73 HH22 ARG 11 HH22 ARG 11 0.887 7.892 -9.079 74 H VAL 12 H VAL 12 0.071 3.043 -1.277 75 HA VAL 12 HA VAL 12 -2.451 3.258 -2.887 76 HB VAL 12 HB VAL 12 -1.945 1.084 -3.905 77 HG11 VAL 12 HG11 VAL 12 -0.101 1.699 -5.404 78 HG12 VAL 12 HG12 VAL 12 -1.144 3.118 -5.096 79 HG13 VAL 12 HG13 VAL 12 0.440 2.972 -4.281 80 HG21 VAL 12 HG21 VAL 12 -0.557 0.197 -1.925 81 HG22 VAL 12 HG22 VAL 12 0.134 -0.134 -3.542 82 HG23 VAL 12 HG23 VAL 12 0.803 1.185 -2.537 83 H ILE 13 H ILE 13 -3.492 0.693 -2.319 84 HA ILE 13 HA ILE 13 -4.050 1.204 0.564 85 HB ILE 13 HB ILE 13 -5.762 0.042 -1.574 86 HG12 ILE 13 HG12 ILE 13 -6.717 2.738 -0.992 87 HG13 ILE 13 HG13 ILE 13 -5.008 2.861 -1.407 88 HG21 ILE 13 HG21 ILE 13 -6.604 1.270 1.091 89 HG22 ILE 13 HG22 ILE 13 -7.718 0.621 -0.132 90 HG23 ILE 13 HG23 ILE 13 -6.579 -0.481 0.678 91 HD11 ILE 13 HD11 ILE 13 -6.436 3.058 -3.442 92 HD12 ILE 13 HD12 ILE 13 -5.468 1.563 -3.554 93 HD13 ILE 13 HD13 ILE 13 -7.194 1.478 -3.096 94 H SER 14 H SER 14 -3.369 -0.510 1.983 95 HA SER 14 HA SER 14 -3.110 -3.222 0.700 96 HB2 SER 14 HB2 SER 14 -0.956 -1.729 1.100 97 HB3 SER 14 HB3 SER 14 -1.221 -2.080 2.827 98 HG SER 14 HG SER 14 0.101 -3.785 1.953 99 H ARG 15 H ARG 15 -2.604 -4.938 2.420 100 HA ARG 15 HA ARG 15 -4.679 -5.103 4.184 101 HB2 ARG 15 HB2 ARG 15 -3.737 -6.856 5.451 102 HB3 ARG 15 HB3 ARG 15 -3.349 -7.158 3.746 103 HG2 ARG 15 HG2 ARG 15 -1.378 -6.031 5.841 104 HG3 ARG 15 HG3 ARG 15 -1.559 -7.738 5.413 105 HD2 ARG 15 HD2 ARG 15 -0.604 -5.494 3.598 106 HD3 ARG 15 HD3 ARG 15 0.403 -6.796 4.181 107 HE ARG 15 HE ARG 15 -1.383 -6.817 1.864 108 HH11 ARG 15 HH11 ARG 15 0.054 -9.022 4.342 109 HH12 ARG 15 HH12 ARG 15 -0.188 -10.421 3.310 110 HH21 ARG 15 HH21 ARG 15 -1.652 -8.665 0.653 111 HH22 ARG 15 HH22 ARG 15 -1.116 -10.229 1.265 112 H PHE 16 H PHE 16 -5.110 -4.518 6.362 113 HA PHE 16 HA PHE 16 -3.865 -2.267 7.396 114 HB2 PHE 16 HB2 PHE 16 -5.976 -3.840 8.153 115 HB3 PHE 16 HB3 PHE 16 -4.812 -4.162 9.433 116 HD1 PHE 16 HD1 PHE 16 -3.543 -1.811 10.130 117 HD2 PHE 16 HD2 PHE 16 -7.525 -2.254 8.695 118 HE1 PHE 16 HE1 PHE 16 -4.170 0.298 11.232 119 HE2 PHE 16 HE2 PHE 16 -8.159 -0.145 9.793 120 HZ PHE 16 HZ PHE 16 -6.481 1.134 11.063 121 H GLY 17 H GLY 17 -1.770 -1.900 8.311 122 HA2 GLY 17 HA2 GLY 17 -0.562 -3.599 10.165 123 HA3 GLY 17 HA3 GLY 17 -0.026 -4.202 8.576 124 H PHE 18 H PHE 18 -0.033 -1.244 10.697 125 HA PHE 18 HA PHE 18 1.867 0.052 8.817 126 HB2 PHE 18 HB2 PHE 18 -0.079 1.297 9.836 127 HB3 PHE 18 HB3 PHE 18 0.699 1.165 11.425 128 HD1 PHE 18 HD1 PHE 18 0.939 2.593 7.993 129 HD2 PHE 18 HD2 PHE 18 2.822 2.467 11.866 130 HE1 PHE 18 HE1 PHE 18 2.353 4.523 7.371 131 HE2 PHE 18 HE2 PHE 18 4.271 4.362 11.216 132 HZ PHE 18 HZ PHE 18 4.032 5.405 8.976 133 H ASN 19 H ASN 19 3.756 -1.417 9.142 134 HA ASN 19 HA ASN 19 4.781 -1.891 11.823 135 HB2 ASN 19 HB2 ASN 19 6.272 -1.917 9.134 136 HB3 ASN 19 HB3 ASN 19 6.875 -2.562 10.682 137 HD21 ASN 19 HD21 ASN 19 6.580 -4.188 8.263 138 HD22 ASN 19 HD22 ASN 19 5.356 -5.359 8.590 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.359 -0.984 1.876 2 HA2 GLY 1 HA2 GLY 1 1.998 0.889 -0.359 3 HA3 GLY 1 HA3 GLY 1 3.021 -0.399 0.276 4 H THR 2 H THR 2 0.765 -2.538 0.037 5 HA THR 2 HA THR 2 1.167 -2.903 -2.876 6 HB THR 2 HB THR 2 1.116 -4.741 -0.689 7 HG1 THR 2 HG1 THR 2 1.715 -6.164 -2.457 8 HG21 THR 2 HG21 THR 2 -0.528 -6.434 -1.298 9 HG22 THR 2 HG22 THR 2 -1.103 -5.495 -2.689 10 HG23 THR 2 HG23 THR 2 -1.451 -4.941 -1.037 11 HA PRO 3 HA PRO 3 -2.927 -1.386 -3.583 12 HB2 PRO 3 HB2 PRO 3 -3.744 -2.687 -5.905 13 HB3 PRO 3 HB3 PRO 3 -2.348 -1.567 -5.884 14 HG2 PRO 3 HG2 PRO 3 -2.252 -4.611 -5.529 15 HG3 PRO 3 HG3 PRO 3 -1.404 -3.668 -6.796 16 HD2 PRO 3 HD2 PRO 3 -0.085 -4.324 -4.519 17 HD3 PRO 3 HD3 PRO 3 0.065 -2.627 -5.105 18 H GLY 4 H GLY 4 -5.281 -1.976 -3.748 19 HA2 GLY 4 HA2 GLY 4 -6.628 -4.260 -3.510 20 HA3 GLY 4 HA3 GLY 4 -5.826 -4.200 -1.947 21 H PHE 5 H PHE 5 -8.012 -4.175 -1.080 22 HA PHE 5 HA PHE 5 -9.134 -1.452 -1.089 23 HB2 PHE 5 HB2 PHE 5 -10.807 -2.589 -2.219 24 HB3 PHE 5 HB3 PHE 5 -10.511 -4.094 -1.355 25 HD1 PHE 5 HD2 PHE 5 -11.864 -0.666 -0.916 26 HD2 PHE 5 HD1 PHE 5 -11.838 -4.695 0.455 27 HE1 PHE 5 HE2 PHE 5 -13.738 -0.160 0.596 28 HE2 PHE 5 HE1 PHE 5 -13.712 -4.196 1.969 29 HZ PHE 5 HZ PHE 5 -14.664 -1.926 2.042 30 H GLN 6 H GLN 6 -7.681 -3.839 0.696 31 HA GLN 6 HA GLN 6 -8.970 -3.995 3.109 32 HB2 GLN 6 HB2 GLN 6 -6.001 -3.765 2.599 33 HB3 GLN 6 HB3 GLN 6 -6.708 -4.260 4.131 34 HG2 GLN 6 HG2 GLN 6 -6.655 -6.345 3.404 35 HG3 GLN 6 HG3 GLN 6 -7.885 -5.909 2.219 36 HE21 GLN 6 HE21 GLN 6 -5.129 -7.486 2.471 37 HE22 GLN 6 HE22 GLN 6 -4.417 -7.171 0.928 38 H THR 7 H THR 7 -6.128 -1.567 2.803 39 HA THR 7 HA THR 7 -7.828 0.495 3.895 40 HB THR 7 HB THR 7 -6.889 -1.363 5.762 41 HG1 THR 7 HG1 THR 7 -7.433 0.341 7.291 42 HG21 THR 7 HG21 THR 7 -5.022 -0.364 7.047 43 HG22 THR 7 HG22 THR 7 -4.877 0.980 5.899 44 HG23 THR 7 HG23 THR 7 -4.469 -0.690 5.388 45 HA PRO 8 HA PRO 8 -4.673 2.890 1.853 46 HB2 PRO 8 HB2 PRO 8 -4.457 5.211 3.318 47 HB3 PRO 8 HB3 PRO 8 -5.904 4.781 2.356 48 HG2 PRO 8 HG2 PRO 8 -5.518 4.262 5.343 49 HG3 PRO 8 HG3 PRO 8 -6.864 5.156 4.568 50 HD2 PRO 8 HD2 PRO 8 -7.183 2.549 5.179 51 HD3 PRO 8 HD3 PRO 8 -7.719 3.068 3.536 52 H ASP 9 H ASP 9 -2.521 1.817 1.983 53 HA ASP 9 HA ASP 9 -1.229 1.754 4.606 54 HB2 ASP 9 HB2 ASP 9 0.538 0.525 3.664 55 HB3 ASP 9 HB3 ASP 9 -1.002 -0.110 3.055 56 H ALA 10 H ALA 10 -0.617 3.395 1.382 57 HA ALA 10 HA ALA 10 0.100 5.824 2.792 58 HB1 ALA 10 HB1 ALA 10 2.375 4.127 1.604 59 HB2 ALA 10 HB2 ALA 10 2.499 5.892 1.891 60 HB3 ALA 10 HB3 ALA 10 2.234 4.768 3.252 61 H ARG 11 H ARG 11 1.314 4.517 -0.433 62 HA ARG 11 HA ARG 11 -0.143 6.766 -1.695 63 HB2 ARG 11 HB2 ARG 11 2.262 6.116 -2.256 64 HB3 ARG 11 HB3 ARG 11 1.619 4.637 -3.027 65 HG2 ARG 11 HG2 ARG 11 0.212 6.123 -4.547 66 HG3 ARG 11 HG3 ARG 11 0.925 7.557 -3.765 67 HD2 ARG 11 HD2 ARG 11 3.181 6.007 -4.564 68 HD3 ARG 11 HD3 ARG 11 2.105 5.865 -5.940 69 HE ARG 11 HE ARG 11 3.629 8.184 -5.062 70 HH11 ARG 11 HH11 ARG 11 0.473 7.357 -6.603 71 HH12 ARG 11 HH12 ARG 11 0.386 8.915 -7.410 72 HH21 ARG 11 HH21 ARG 11 3.417 10.141 -6.138 73 HH22 ARG 11 HH22 ARG 11 2.013 10.460 -7.158 74 H VAL 12 H VAL 12 -0.359 3.147 -1.347 75 HA VAL 12 HA VAL 12 -2.910 3.245 -2.910 76 HB VAL 12 HB VAL 12 -2.317 1.090 -3.952 77 HG11 VAL 12 HG11 VAL 12 -0.082 3.135 -4.417 78 HG12 VAL 12 HG12 VAL 12 -0.565 1.810 -5.509 79 HG13 VAL 12 HG13 VAL 12 -1.699 3.149 -5.176 80 HG21 VAL 12 HG21 VAL 12 -0.821 0.261 -2.034 81 HG22 VAL 12 HG22 VAL 12 -0.157 -0.003 -3.673 82 HG23 VAL 12 HG23 VAL 12 0.464 1.335 -2.664 83 H ILE 13 H ILE 13 -3.837 0.652 -2.347 84 HA ILE 13 HA ILE 13 -4.315 1.099 0.562 85 HB ILE 13 HB ILE 13 -6.052 -0.082 -1.534 86 HG12 ILE 13 HG12 ILE 13 -7.072 2.578 -0.888 87 HG13 ILE 13 HG13 ILE 13 -5.384 2.752 -1.364 88 HG21 ILE 13 HG21 ILE 13 -6.862 1.095 1.165 89 HG22 ILE 13 HG22 ILE 13 -7.985 0.412 -0.030 90 HG23 ILE 13 HG23 ILE 13 -6.784 -0.652 0.743 91 HD11 ILE 13 HD11 ILE 13 -5.884 1.464 -3.506 92 HD12 ILE 13 HD12 ILE 13 -7.589 1.317 -2.985 93 HD13 ILE 13 HD13 ILE 13 -6.895 2.925 -3.344 94 H SER 14 H SER 14 -3.603 -0.651 1.945 95 HA SER 14 HA SER 14 -3.289 -3.326 0.623 96 HB2 SER 14 HB2 SER 14 -1.236 -1.482 0.920 97 HB3 SER 14 HB3 SER 14 -1.107 -2.317 2.492 98 HG SER 14 HG SER 14 -0.824 -4.291 1.235 99 H ARG 15 H ARG 15 -2.789 -5.076 2.286 100 HA ARG 15 HA ARG 15 -4.569 -5.251 4.252 101 HB2 ARG 15 HB2 ARG 15 -3.423 -6.943 5.426 102 HB3 ARG 15 HB3 ARG 15 -3.113 -7.193 3.698 103 HG2 ARG 15 HG2 ARG 15 -1.107 -5.921 5.667 104 HG3 ARG 15 HG3 ARG 15 -1.178 -7.635 5.242 105 HD2 ARG 15 HD2 ARG 15 -0.567 -5.315 3.373 106 HD3 ARG 15 HD3 ARG 15 0.610 -6.502 3.882 107 HE ARG 15 HE ARG 15 -1.311 -6.740 1.696 108 HH11 ARG 15 HH11 ARG 15 0.490 -8.758 4.093 109 HH12 ARG 15 HH12 ARG 15 0.305 -10.193 3.098 110 HH21 ARG 15 HH21 ARG 15 -1.490 -8.629 0.528 111 HH22 ARG 15 HH22 ARG 15 -0.769 -10.124 1.123 112 H PHE 16 H PHE 16 -4.775 -4.859 6.574 113 HA PHE 16 HA PHE 16 -3.584 -2.366 7.366 114 HB2 PHE 16 HB2 PHE 16 -5.770 -3.069 8.292 115 HB3 PHE 16 HB3 PHE 16 -5.034 -4.508 9.034 116 HD1 PHE 16 HD1 PHE 16 -3.460 -4.302 10.962 117 HD2 PHE 16 HD2 PHE 16 -5.470 -0.845 9.367 118 HE1 PHE 16 HE1 PHE 16 -2.864 -3.014 12.987 119 HE2 PHE 16 HE2 PHE 16 -4.817 0.455 11.362 120 HZ PHE 16 HZ PHE 16 -3.527 -0.628 13.189 121 H GLY 17 H GLY 17 -1.850 -2.009 8.971 122 HA2 GLY 17 HA2 GLY 17 -0.632 -3.832 10.578 123 HA3 GLY 17 HA3 GLY 17 0.125 -4.196 9.006 124 H PHE 18 H PHE 18 2.128 -3.027 8.766 125 HA PHE 18 HA PHE 18 2.195 -0.216 9.846 126 HB2 PHE 18 HB2 PHE 18 4.022 -2.557 10.415 127 HB3 PHE 18 HB3 PHE 18 4.830 -1.051 9.947 128 HD1 PHE 18 HD2 PHE 18 2.077 -2.270 12.241 129 HD2 PHE 18 HD1 PHE 18 5.255 0.573 11.636 130 HE1 PHE 18 HE2 PHE 18 1.647 -1.301 14.481 131 HE2 PHE 18 HE1 PHE 18 4.855 1.500 13.887 132 HZ PHE 18 HZ PHE 18 3.035 0.586 15.309 133 H ASN 19 H ASN 19 2.217 1.068 7.931 134 HA ASN 19 HA ASN 19 3.081 -0.062 5.437 135 HB2 ASN 19 HB2 ASN 19 2.946 2.256 4.558 136 HB3 ASN 19 HB3 ASN 19 1.509 1.798 5.502 137 HD21 ASN 19 HD21 ASN 19 4.485 3.882 5.595 138 HD22 ASN 19 HD22 ASN 19 3.902 4.865 6.887 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.460 -1.143 1.800 2 HA2 GLY 1 HA2 GLY 1 2.404 0.759 -0.303 3 HA3 GLY 1 HA3 GLY 1 3.275 -0.630 0.346 4 H THR 2 H THR 2 0.693 -2.452 -0.188 5 HA THR 2 HA THR 2 1.198 -2.647 -3.137 6 HB THR 2 HB THR 2 -0.105 -4.991 -2.414 7 HG1 THR 2 HG1 THR 2 1.659 -4.574 -0.212 8 HG21 THR 2 HG21 THR 2 2.124 -6.116 -2.550 9 HG22 THR 2 HG22 THR 2 2.947 -4.533 -2.392 10 HG23 THR 2 HG23 THR 2 1.963 -4.891 -3.841 11 HA PRO 3 HA PRO 3 -2.854 -1.152 -3.627 12 HB2 PRO 3 HB2 PRO 3 -3.786 -2.273 -5.973 13 HB3 PRO 3 HB3 PRO 3 -2.300 -1.276 -5.937 14 HG2 PRO 3 HG2 PRO 3 -2.453 -4.331 -5.702 15 HG3 PRO 3 HG3 PRO 3 -1.551 -3.408 -6.948 16 HD2 PRO 3 HD2 PRO 3 -0.285 -4.279 -4.688 17 HD3 PRO 3 HD3 PRO 3 0.052 -2.606 -5.282 18 H GLY 4 H GLY 4 -5.261 -1.648 -3.769 19 HA2 GLY 4 HA2 GLY 4 -6.623 -3.948 -3.536 20 HA3 GLY 4 HA3 GLY 4 -5.824 -3.857 -1.973 21 H PHE 5 H PHE 5 -8.046 -3.829 -1.154 22 HA PHE 5 HA PHE 5 -9.164 -1.103 -1.221 23 HB2 PHE 5 HB2 PHE 5 -10.860 -2.251 -2.276 24 HB3 PHE 5 HB3 PHE 5 -10.507 -3.758 -1.435 25 HD1 PHE 5 HD1 PHE 5 -12.218 -0.524 -1.227 26 HD2 PHE 5 HD2 PHE 5 -11.483 -4.248 0.701 27 HE1 PHE 5 HE1 PHE 5 -14.065 -0.076 0.337 28 HE2 PHE 5 HE2 PHE 5 -13.329 -3.806 2.266 29 HZ PHE 5 HZ PHE 5 -14.623 -1.718 2.085 30 H GLN 6 H GLN 6 -7.740 -3.479 0.640 31 HA GLN 6 HA GLN 6 -9.012 -3.505 3.065 32 HB2 GLN 6 HB2 GLN 6 -6.047 -3.402 2.498 33 HB3 GLN 6 HB3 GLN 6 -6.728 -3.764 4.078 34 HG2 GLN 6 HG2 GLN 6 -6.379 -5.870 3.294 35 HG3 GLN 6 HG3 GLN 6 -8.033 -5.605 2.744 36 HE21 GLN 6 HE21 GLN 6 -4.705 -5.885 1.805 37 HE22 GLN 6 HE22 GLN 6 -4.983 -6.030 0.106 38 H THR 7 H THR 7 -6.097 -1.195 2.667 39 HA THR 7 HA THR 7 -7.667 0.968 3.742 40 HB THR 7 HB THR 7 -6.785 -0.990 5.606 41 HG1 THR 7 HG1 THR 7 -7.484 0.661 7.127 42 HG21 THR 7 HG21 THR 7 -4.388 -0.251 5.378 43 HG22 THR 7 HG22 THR 7 -5.039 0.061 7.008 44 HG23 THR 7 HG23 THR 7 -4.860 1.408 5.864 45 HA PRO 8 HA PRO 8 -4.341 3.123 1.755 46 HB2 PRO 8 HB2 PRO 8 -3.963 5.428 3.217 47 HB3 PRO 8 HB3 PRO 8 -5.446 5.096 2.273 48 HG2 PRO 8 HG2 PRO 8 -5.063 4.553 5.257 49 HG3 PRO 8 HG3 PRO 8 -6.353 5.535 4.497 50 HD2 PRO 8 HD2 PRO 8 -6.835 2.939 5.113 51 HD3 PRO 8 HD3 PRO 8 -7.364 3.516 3.487 52 H ASP 9 H ASP 9 -2.256 1.903 1.882 53 HA ASP 9 HA ASP 9 -1.000 1.739 4.508 54 HB2 ASP 9 HB2 ASP 9 0.730 0.458 3.618 55 HB3 ASP 9 HB3 ASP 9 -0.803 -0.135 2.942 56 H ALA 10 H ALA 10 -0.258 3.407 1.324 57 HA ALA 10 HA ALA 10 0.512 5.787 2.757 58 HB1 ALA 10 HB1 ALA 10 2.591 4.674 3.339 59 HB2 ALA 10 HB2 ALA 10 2.799 4.018 1.702 60 HB3 ALA 10 HB3 ALA 10 2.959 5.780 1.988 61 H ARG 11 H ARG 11 1.808 4.348 -0.386 62 HA ARG 11 HA ARG 11 0.620 6.688 -1.744 63 HB2 ARG 11 HB2 ARG 11 2.981 5.656 -2.150 64 HB3 ARG 11 HB3 ARG 11 2.159 4.432 -3.141 65 HG2 ARG 11 HG2 ARG 11 1.927 7.490 -3.499 66 HG3 ARG 11 HG3 ARG 11 3.141 6.530 -4.354 67 HD2 ARG 11 HD2 ARG 11 1.595 5.449 -5.759 68 HD3 ARG 11 HD3 ARG 11 0.215 5.770 -4.671 69 HE ARG 11 HE ARG 11 1.191 8.293 -5.556 70 HH11 ARG 11 HH11 ARG 11 -0.480 5.386 -6.878 71 HH12 ARG 11 HH12 ARG 11 -1.395 6.355 -8.025 72 HH21 ARG 11 HH21 ARG 11 -0.041 9.440 -7.042 73 HH22 ARG 11 HH22 ARG 11 -1.149 8.599 -8.128 74 H VAL 12 H VAL 12 0.309 3.046 -1.602 75 HA VAL 12 HA VAL 12 -2.305 3.314 -3.069 76 HB VAL 12 HB VAL 12 -1.851 1.125 -4.058 77 HG11 VAL 12 HG11 VAL 12 -1.085 3.143 -5.294 78 HG12 VAL 12 HG12 VAL 12 0.512 3.039 -4.503 79 HG13 VAL 12 HG13 VAL 12 -0.022 1.741 -5.603 80 HG21 VAL 12 HG21 VAL 12 0.956 1.181 -2.820 81 HG22 VAL 12 HG22 VAL 12 -0.401 0.263 -2.106 82 HG23 VAL 12 HG23 VAL 12 0.191 -0.131 -3.749 83 H ILE 13 H ILE 13 -3.550 0.973 -2.566 84 HA ILE 13 HA ILE 13 -4.067 1.402 0.325 85 HB ILE 13 HB ILE 13 -5.735 0.209 -1.840 86 HG12 ILE 13 HG12 ILE 13 -6.717 2.888 -1.098 87 HG13 ILE 13 HG13 ILE 13 -5.034 3.009 -1.612 88 HG21 ILE 13 HG21 ILE 13 -6.555 -0.435 0.414 89 HG22 ILE 13 HG22 ILE 13 -6.600 1.294 0.893 90 HG23 ILE 13 HG23 ILE 13 -7.709 0.682 -0.356 91 HD11 ILE 13 HD11 ILE 13 -7.305 1.672 -3.221 92 HD12 ILE 13 HD12 ILE 13 -6.579 3.271 -3.554 93 HD13 ILE 13 HD13 ILE 13 -5.606 1.792 -3.764 94 H SER 14 H SER 14 -3.482 -0.336 1.790 95 HA SER 14 HA SER 14 -3.454 -3.088 0.644 96 HB2 SER 14 HB2 SER 14 -1.171 -1.400 0.819 97 HB3 SER 14 HB3 SER 14 -1.016 -2.407 2.276 98 HG SER 14 HG SER 14 -1.130 -4.270 0.773 99 H ARG 15 H ARG 15 -2.709 -4.703 2.446 100 HA ARG 15 HA ARG 15 -4.602 -4.620 4.403 101 HB2 ARG 15 HB2 ARG 15 -3.607 -6.378 5.633 102 HB3 ARG 15 HB3 ARG 15 -3.449 -6.744 3.905 103 HG2 ARG 15 HG2 ARG 15 -1.165 -5.597 5.659 104 HG3 ARG 15 HG3 ARG 15 -1.477 -7.322 5.419 105 HD2 ARG 15 HD2 ARG 15 -0.627 -5.304 3.289 106 HD3 ARG 15 HD3 ARG 15 0.353 -6.616 3.884 107 HE ARG 15 HE ARG 15 -1.721 -6.726 1.817 108 HH11 ARG 15 HH11 ARG 15 -0.082 -8.791 4.297 109 HH12 ARG 15 HH12 ARG 15 -0.536 -10.257 3.446 110 HH21 ARG 15 HH21 ARG 15 -2.243 -8.657 0.839 111 HH22 ARG 15 HH22 ARG 15 -1.713 -10.190 1.530 112 H PHE 16 H PHE 16 -4.662 -4.207 6.723 113 HA PHE 16 HA PHE 16 -3.101 -1.827 7.384 114 HB2 PHE 16 HB2 PHE 16 -4.360 -1.760 9.466 115 HB3 PHE 16 HB3 PHE 16 -5.501 -2.152 8.164 116 HD1 PHE 16 HD1 PHE 16 -3.560 -3.537 11.049 117 HD2 PHE 16 HD2 PHE 16 -6.672 -4.332 8.180 118 HE1 PHE 16 HE1 PHE 16 -4.104 -5.641 12.220 119 HE2 PHE 16 HE2 PHE 16 -7.206 -6.439 9.353 120 HZ PHE 16 HZ PHE 16 -5.920 -7.108 11.369 121 H GLY 17 H GLY 17 -1.754 -1.809 9.521 122 HA2 GLY 17 HA2 GLY 17 -0.847 -3.565 11.155 123 HA3 GLY 17 HA3 GLY 17 -0.227 -4.406 9.723 124 H PHE 18 H PHE 18 0.565 -1.858 11.984 125 HA PHE 18 HA PHE 18 2.367 -0.411 12.028 126 HB2 PHE 18 HB2 PHE 18 3.457 -2.690 11.903 127 HB3 PHE 18 HB3 PHE 18 3.632 -2.501 10.149 128 HD1 PHE 18 HD2 PHE 18 4.548 -1.059 13.483 129 HD2 PHE 18 HD1 PHE 18 5.424 -1.029 9.266 130 HE1 PHE 18 HE2 PHE 18 6.581 0.282 13.912 131 HE2 PHE 18 HE1 PHE 18 7.425 0.355 9.697 132 HZ PHE 18 HZ PHE 18 8.017 1.007 12.019 133 H ASN 19 H ASN 19 0.851 1.132 10.837 134 HA ASN 19 HA ASN 19 0.578 2.731 9.199 135 HB2 ASN 19 HB2 ASN 19 3.129 2.941 9.694 136 HB3 ASN 19 HB3 ASN 19 3.411 2.015 8.205 137 HD21 ASN 19 HD21 ASN 19 1.776 5.033 9.475 138 HD22 ASN 19 HD22 ASN 19 1.938 5.897 7.991 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.566 -0.617 1.919 2 HA2 GLY 1 HA2 GLY 1 2.054 1.241 -0.366 3 HA3 GLY 1 HA3 GLY 1 3.158 0.019 0.268 4 H THR 2 H THR 2 0.974 -2.211 0.150 5 HA THR 2 HA THR 2 1.272 -2.642 -2.763 6 HB THR 2 HB THR 2 1.422 -4.395 -0.543 7 HG1 THR 2 HG1 THR 2 1.828 -5.903 -2.293 8 HG21 THR 2 HG21 THR 2 -1.152 -4.593 -0.586 9 HG22 THR 2 HG22 THR 2 -0.294 -6.118 -0.913 10 HG23 THR 2 HG23 THR 2 -1.006 -5.212 -2.257 11 HA PRO 3 HA PRO 3 -2.931 -1.358 -3.367 12 HB2 PRO 3 HB2 PRO 3 -3.745 -2.737 -5.626 13 HB3 PRO 3 HB3 PRO 3 -2.381 -1.575 -5.668 14 HG2 PRO 3 HG2 PRO 3 -2.191 -4.604 -5.235 15 HG3 PRO 3 HG3 PRO 3 -1.403 -3.671 -6.549 16 HD2 PRO 3 HD2 PRO 3 -0.022 -4.232 -4.270 17 HD3 PRO 3 HD3 PRO 3 0.088 -2.559 -4.935 18 H GLY 4 H GLY 4 -5.252 -2.043 -3.460 19 HA2 GLY 4 HA2 GLY 4 -6.525 -4.366 -3.184 20 HA3 GLY 4 HA3 GLY 4 -5.699 -4.269 -1.636 21 H PHE 5 H PHE 5 -7.869 -4.303 -0.731 22 HA PHE 5 HA PHE 5 -9.076 -1.617 -0.743 23 HB2 PHE 5 HB2 PHE 5 -10.742 -2.803 -1.819 24 HB3 PHE 5 HB3 PHE 5 -10.367 -4.301 -0.975 25 HD1 PHE 5 HD1 PHE 5 -12.117 -1.088 -0.767 26 HD2 PHE 5 HD2 PHE 5 -11.339 -4.804 1.157 27 HE1 PHE 5 HE1 PHE 5 -13.968 -0.662 0.798 28 HE2 PHE 5 HE2 PHE 5 -13.189 -4.384 2.724 29 HZ PHE 5 HZ PHE 5 -14.507 -2.312 2.545 30 H GLN 6 H GLN 6 -7.507 -3.929 1.037 31 HA GLN 6 HA GLN 6 -8.744 -4.104 3.476 32 HB2 GLN 6 HB2 GLN 6 -5.792 -3.762 2.926 33 HB3 GLN 6 HB3 GLN 6 -6.467 -4.298 4.459 34 HG2 GLN 6 HG2 GLN 6 -6.718 -6.385 3.738 35 HG3 GLN 6 HG3 GLN 6 -7.431 -5.862 2.212 36 HE21 GLN 6 HE21 GLN 6 -5.354 -7.906 2.960 37 HE22 GLN 6 HE22 GLN 6 -4.022 -7.566 1.914 38 H THR 7 H THR 7 -5.995 -1.585 3.086 39 HA THR 7 HA THR 7 -7.724 0.435 4.185 40 HB THR 7 HB THR 7 -6.609 -1.433 6.041 41 HG1 THR 7 HG1 THR 7 -8.320 0.106 6.540 42 HG21 THR 7 HG21 THR 7 -4.918 -0.242 7.353 43 HG22 THR 7 HG22 THR 7 -4.874 1.106 6.201 44 HG23 THR 7 HG23 THR 7 -4.298 -0.517 5.703 45 HA PRO 8 HA PRO 8 -4.705 2.882 2.082 46 HB2 PRO 8 HB2 PRO 8 -4.508 5.224 3.521 47 HB3 PRO 8 HB3 PRO 8 -5.978 4.737 2.624 48 HG2 PRO 8 HG2 PRO 8 -5.451 4.260 5.598 49 HG3 PRO 8 HG3 PRO 8 -6.858 5.099 4.872 50 HD2 PRO 8 HD2 PRO 8 -7.055 2.474 5.517 51 HD3 PRO 8 HD3 PRO 8 -7.685 2.978 3.902 52 H ASP 9 H ASP 9 -2.459 2.032 2.090 53 HA ASP 9 HA ASP 9 -1.088 1.978 4.682 54 HB2 ASP 9 HB2 ASP 9 0.708 0.858 3.690 55 HB3 ASP 9 HB3 ASP 9 -0.809 0.133 3.109 56 H ALA 10 H ALA 10 -0.632 3.639 1.440 57 HA ALA 10 HA ALA 10 0.011 6.105 2.814 58 HB1 ALA 10 HB1 ALA 10 2.342 4.510 1.591 59 HB2 ALA 10 HB2 ALA 10 2.388 6.278 1.884 60 HB3 ALA 10 HB3 ALA 10 2.198 5.138 3.245 61 H ARG 11 H ARG 11 1.189 4.763 -0.423 62 HA ARG 11 HA ARG 11 -0.369 6.939 -1.695 63 HB2 ARG 11 HB2 ARG 11 2.031 6.227 -2.352 64 HB3 ARG 11 HB3 ARG 11 1.294 4.798 -3.107 65 HG2 ARG 11 HG2 ARG 11 -0.289 6.594 -4.317 66 HG3 ARG 11 HG3 ARG 11 0.947 7.773 -3.821 67 HD2 ARG 11 HD2 ARG 11 1.310 5.305 -5.609 68 HD3 ARG 11 HD3 ARG 11 1.318 7.027 -6.128 69 HE ARG 11 HE ARG 11 3.411 6.699 -4.233 70 HH11 ARG 11 HH11 ARG 11 2.550 5.595 -7.555 71 HH12 ARG 11 HH12 ARG 11 4.238 5.366 -7.989 72 HH21 ARG 11 HH21 ARG 11 5.538 6.357 -4.881 73 HH22 ARG 11 HH22 ARG 11 5.899 5.792 -6.514 74 H VAL 12 H VAL 12 -0.409 3.314 -1.250 75 HA VAL 12 HA VAL 12 -3.028 3.242 -2.716 76 HB VAL 12 HB VAL 12 -2.346 1.123 -3.741 77 HG11 VAL 12 HG11 VAL 12 -0.250 3.292 -4.287 78 HG12 VAL 12 HG12 VAL 12 -0.669 1.925 -5.350 79 HG13 VAL 12 HG13 VAL 12 -1.881 3.193 -5.007 80 HG21 VAL 12 HG21 VAL 12 -0.145 0.146 -3.503 81 HG22 VAL 12 HG22 VAL 12 0.460 1.546 -2.567 82 HG23 VAL 12 HG23 VAL 12 -0.750 0.443 -1.843 83 H ILE 13 H ILE 13 -3.716 0.542 -2.069 84 HA ILE 13 HA ILE 13 -4.249 1.080 0.810 85 HB ILE 13 HB ILE 13 -5.950 -0.214 -1.256 86 HG12 ILE 13 HG12 ILE 13 -7.069 2.419 -0.792 87 HG13 ILE 13 HG13 ILE 13 -5.367 2.665 -1.167 88 HG21 ILE 13 HG21 ILE 13 -6.689 -0.678 1.050 89 HG22 ILE 13 HG22 ILE 13 -6.793 1.088 1.378 90 HG23 ILE 13 HG23 ILE 13 -7.896 0.322 0.213 91 HD11 ILE 13 HD11 ILE 13 -7.416 1.081 -2.856 92 HD12 ILE 13 HD12 ILE 13 -6.754 2.695 -3.239 93 HD13 ILE 13 HD13 ILE 13 -5.693 1.263 -3.295 94 H SER 14 H SER 14 -3.355 -0.578 2.206 95 HA SER 14 HA SER 14 -3.102 -3.312 0.974 96 HB2 SER 14 HB2 SER 14 -0.986 -1.726 1.147 97 HB3 SER 14 HB3 SER 14 -1.040 -2.104 2.889 98 HG SER 14 HG SER 14 0.231 -3.735 1.800 99 H ARG 15 H ARG 15 -2.445 -4.991 2.742 100 HA ARG 15 HA ARG 15 -4.328 -5.076 4.715 101 HB2 ARG 15 HB2 ARG 15 -3.192 -6.710 5.984 102 HB3 ARG 15 HB3 ARG 15 -3.061 -7.092 4.265 103 HG2 ARG 15 HG2 ARG 15 -0.856 -5.846 6.043 104 HG3 ARG 15 HG3 ARG 15 -1.003 -7.577 5.664 105 HD2 ARG 15 HD2 ARG 15 -0.345 -5.380 3.655 106 HD3 ARG 15 HD3 ARG 15 0.767 -6.594 4.338 107 HE ARG 15 HE ARG 15 -1.351 -8.035 3.101 108 HH11 ARG 15 HH11 ARG 15 1.429 -5.946 2.180 109 HH12 ARG 15 HH12 ARG 15 1.609 -6.756 0.631 110 HH21 ARG 15 HH21 ARG 15 -1.080 -8.976 1.093 111 HH22 ARG 15 HH22 ARG 15 0.215 -8.443 0.020 112 H PHE 16 H PHE 16 -4.443 -4.613 7.045 113 HA PHE 16 HA PHE 16 -3.289 -2.087 7.683 114 HB2 PHE 16 HB2 PHE 16 -5.356 -2.904 8.799 115 HB3 PHE 16 HB3 PHE 16 -4.455 -4.241 9.548 116 HD1 PHE 16 HD1 PHE 16 -2.739 -3.792 11.323 117 HD2 PHE 16 HD2 PHE 16 -5.197 -0.625 9.752 118 HE1 PHE 16 HE1 PHE 16 -2.091 -2.342 13.217 119 HE2 PHE 16 HE2 PHE 16 -4.524 0.828 11.632 120 HZ PHE 16 HZ PHE 16 -2.977 -0.027 13.377 121 H GLY 17 H GLY 17 -1.495 -1.567 9.204 122 HA2 GLY 17 HA2 GLY 17 0.057 -2.962 10.771 123 HA3 GLY 17 HA3 GLY 17 0.574 -3.742 9.251 124 H PHE 18 H PHE 18 0.673 -1.791 7.355 125 HA PHE 18 HA PHE 18 2.838 0.016 8.440 126 HB2 PHE 18 HB2 PHE 18 2.324 -1.106 5.626 127 HB3 PHE 18 HB3 PHE 18 3.525 0.142 6.019 128 HD1 PHE 18 HD2 PHE 18 2.580 -3.436 6.636 129 HD2 PHE 18 HD1 PHE 18 5.579 -0.402 7.228 130 HE1 PHE 18 HE2 PHE 18 4.191 -5.164 7.371 131 HE2 PHE 18 HE1 PHE 18 7.194 -2.137 7.930 132 HZ PHE 18 HZ PHE 18 6.504 -4.522 8.010 133 H ASN 19 H ASN 19 0.862 1.288 9.323 134 HA ASN 19 HA ASN 19 -0.660 2.753 7.265 135 HB2 ASN 19 HB2 ASN 19 -1.635 2.337 9.522 136 HB3 ASN 19 HB3 ASN 19 -0.316 3.279 10.270 137 HD21 ASN 19 HD21 ASN 19 -2.401 4.466 11.119 138 HD22 ASN 19 HD22 ASN 19 -2.965 5.769 10.136 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.418 -0.456 1.931 2 HA2 GLY 1 HA2 GLY 1 2.235 1.166 -0.432 3 HA3 GLY 1 HA3 GLY 1 3.166 -0.095 0.381 4 H THR 2 H THR 2 0.928 -2.187 0.217 5 HA THR 2 HA THR 2 1.433 -2.826 -2.637 6 HB THR 2 HB THR 2 1.392 -4.455 -0.268 7 HG1 THR 2 HG1 THR 2 2.757 -4.791 -2.147 8 HG21 THR 2 HG21 THR 2 -0.742 -5.456 -2.250 9 HG22 THR 2 HG22 THR 2 -1.132 -4.798 -0.643 10 HG23 THR 2 HG23 THR 2 -0.141 -6.268 -0.790 11 HA PRO 3 HA PRO 3 -2.674 -1.542 -3.591 12 HB2 PRO 3 HB2 PRO 3 -3.373 -3.085 -5.799 13 HB3 PRO 3 HB3 PRO 3 -2.015 -1.915 -5.842 14 HG2 PRO 3 HG2 PRO 3 -1.827 -4.909 -5.198 15 HG3 PRO 3 HG3 PRO 3 -0.973 -4.052 -6.526 16 HD2 PRO 3 HD2 PRO 3 0.298 -4.446 -4.166 17 HD3 PRO 3 HD3 PRO 3 0.403 -2.801 -4.900 18 H GLY 4 H GLY 4 -4.999 -2.217 -3.769 19 HA2 GLY 4 HA2 GLY 4 -6.291 -4.509 -3.362 20 HA3 GLY 4 HA3 GLY 4 -5.543 -4.282 -1.788 21 H PHE 5 H PHE 5 -7.748 -4.238 -0.984 22 HA PHE 5 HA PHE 5 -8.938 -1.560 -1.270 23 HB2 PHE 5 HB2 PHE 5 -10.535 -2.833 -2.369 24 HB3 PHE 5 HB3 PHE 5 -10.249 -4.248 -1.361 25 HD1 PHE 5 HD2 PHE 5 -11.669 -0.818 -1.274 26 HD2 PHE 5 HD1 PHE 5 -11.653 -4.721 0.425 27 HE1 PHE 5 HE2 PHE 5 -13.614 -0.220 0.108 28 HE2 PHE 5 HE1 PHE 5 -13.600 -4.129 1.809 29 HZ PHE 5 HZ PHE 5 -14.582 -1.876 1.653 30 H GLN 6 H GLN 6 -7.483 -3.732 0.756 31 HA GLN 6 HA GLN 6 -8.871 -3.728 3.126 32 HB2 GLN 6 HB2 GLN 6 -5.933 -3.666 2.517 33 HB3 GLN 6 HB3 GLN 6 -6.496 -3.642 4.183 34 HG2 GLN 6 HG2 GLN 6 -7.265 -5.786 4.106 35 HG3 GLN 6 HG3 GLN 6 -7.575 -5.730 2.372 36 HE21 GLN 6 HE21 GLN 6 -5.232 -5.012 1.305 37 HE22 GLN 6 HE22 GLN 6 -4.006 -6.177 1.657 38 H THR 7 H THR 7 -6.071 -1.318 2.698 39 HA THR 7 HA THR 7 -7.853 0.835 3.417 40 HB THR 7 HB THR 7 -7.018 -0.778 5.577 41 HG1 THR 7 HG1 THR 7 -8.654 0.912 5.726 42 HG21 THR 7 HG21 THR 7 -5.394 0.470 6.886 43 HG22 THR 7 HG22 THR 7 -5.120 1.647 5.587 44 HG23 THR 7 HG23 THR 7 -4.634 -0.068 5.358 45 HA PRO 8 HA PRO 8 -4.678 3.107 1.355 46 HB2 PRO 8 HB2 PRO 8 -4.580 5.566 2.599 47 HB3 PRO 8 HB3 PRO 8 -5.937 5.005 1.576 48 HG2 PRO 8 HG2 PRO 8 -5.763 4.816 4.622 49 HG3 PRO 8 HG3 PRO 8 -7.080 5.565 3.660 50 HD2 PRO 8 HD2 PRO 8 -7.339 3.039 4.554 51 HD3 PRO 8 HD3 PRO 8 -7.796 3.339 2.833 52 H ASP 9 H ASP 9 -2.448 2.360 1.565 53 HA ASP 9 HA ASP 9 -1.243 2.519 4.247 54 HB2 ASP 9 HB2 ASP 9 0.586 1.282 3.484 55 HB3 ASP 9 HB3 ASP 9 -0.908 0.503 2.914 56 H ALA 10 H ALA 10 -0.540 3.796 0.908 57 HA ALA 10 HA ALA 10 0.044 6.396 2.056 58 HB1 ALA 10 HB1 ALA 10 2.420 4.697 1.073 59 HB2 ALA 10 HB2 ALA 10 2.456 6.484 1.221 60 HB3 ALA 10 HB3 ALA 10 2.206 5.458 2.664 61 H ARG 11 H ARG 11 1.306 4.706 -0.971 62 HA ARG 11 HA ARG 11 -0.189 6.772 -2.492 63 HB2 ARG 11 HB2 ARG 11 2.371 5.964 -2.816 64 HB3 ARG 11 HB3 ARG 11 1.600 4.736 -3.848 65 HG2 ARG 11 HG2 ARG 11 0.413 6.728 -5.045 66 HG3 ARG 11 HG3 ARG 11 1.421 7.813 -4.050 67 HD2 ARG 11 HD2 ARG 11 2.819 7.688 -5.979 68 HD3 ARG 11 HD3 ARG 11 3.454 6.371 -5.022 69 HE ARG 11 HE ARG 11 2.649 4.824 -6.557 70 HH11 ARG 11 HH11 ARG 11 0.910 7.958 -7.096 71 HH12 ARG 11 HH12 ARG 11 0.194 7.369 -8.586 72 HH21 ARG 11 HH21 ARG 11 1.651 4.184 -8.465 73 HH22 ARG 11 HH22 ARG 11 0.588 5.287 -9.343 74 H VAL 12 H VAL 12 -0.350 3.254 -1.685 75 HA VAL 12 HA VAL 12 -2.779 3.097 -3.413 76 HB VAL 12 HB VAL 12 -2.077 0.857 -4.183 77 HG11 VAL 12 HG11 VAL 12 -1.435 2.792 -5.591 78 HG12 VAL 12 HG12 VAL 12 0.143 2.887 -4.759 79 HG13 VAL 12 HG13 VAL 12 -0.270 1.445 -5.722 80 HG21 VAL 12 HG21 VAL 12 0.616 1.332 -2.773 81 HG22 VAL 12 HG22 VAL 12 -0.671 0.281 -2.111 82 HG23 VAL 12 HG23 VAL 12 0.096 -0.123 -3.675 83 H ILE 13 H ILE 13 -3.650 0.531 -2.590 84 HA ILE 13 HA ILE 13 -4.240 1.267 0.238 85 HB ILE 13 HB ILE 13 -5.935 -0.182 -1.708 86 HG12 ILE 13 HG12 ILE 13 -7.030 2.489 -1.537 87 HG13 ILE 13 HG13 ILE 13 -5.313 2.692 -1.886 88 HG21 ILE 13 HG21 ILE 13 -6.790 1.403 0.756 89 HG22 ILE 13 HG22 ILE 13 -7.880 0.494 -0.316 90 HG23 ILE 13 HG23 ILE 13 -6.649 -0.386 0.623 91 HD11 ILE 13 HD11 ILE 13 -6.653 2.539 -3.984 92 HD12 ILE 13 HD12 ILE 13 -5.600 1.102 -3.886 93 HD13 ILE 13 HD13 ILE 13 -7.334 0.968 -3.473 94 H SER 14 H SER 14 -3.535 -0.298 1.804 95 HA SER 14 HA SER 14 -3.067 -3.078 0.767 96 HB2 SER 14 HB2 SER 14 -1.137 -1.113 0.963 97 HB3 SER 14 HB3 SER 14 -1.030 -1.775 2.617 98 HG SER 14 HG SER 14 -0.555 -3.842 1.575 99 H ARG 15 H ARG 15 -2.424 -4.572 2.692 100 HA ARG 15 HA ARG 15 -4.394 -4.651 4.540 101 HB2 ARG 15 HB2 ARG 15 -3.269 -6.205 5.895 102 HB3 ARG 15 HB3 ARG 15 -2.784 -6.569 4.224 103 HG2 ARG 15 HG2 ARG 15 -1.046 -5.021 6.262 104 HG3 ARG 15 HG3 ARG 15 -0.979 -6.764 5.974 105 HD2 ARG 15 HD2 ARG 15 -0.347 -4.574 3.941 106 HD3 ARG 15 HD3 ARG 15 0.860 -5.579 4.705 107 HE ARG 15 HE ARG 15 -0.821 -6.248 2.401 108 HH11 ARG 15 HH11 ARG 15 0.938 -7.788 5.163 109 HH12 ARG 15 HH12 ARG 15 0.991 -9.332 4.331 110 HH21 ARG 15 HH21 ARG 15 -0.695 -8.260 1.453 111 HH22 ARG 15 HH22 ARG 15 0.107 -9.596 2.279 112 H PHE 16 H PHE 16 -4.799 -3.992 6.730 113 HA PHE 16 HA PHE 16 -3.533 -1.455 7.304 114 HB2 PHE 16 HB2 PHE 16 -5.882 -1.733 8.001 115 HB3 PHE 16 HB3 PHE 16 -5.458 -3.177 8.941 116 HD1 PHE 16 HD1 PHE 16 -4.022 0.379 8.763 117 HD2 PHE 16 HD2 PHE 16 -5.586 -2.759 11.271 118 HE1 PHE 16 HE1 PHE 16 -3.724 1.806 10.734 119 HE2 PHE 16 HE2 PHE 16 -5.289 -1.312 13.242 120 HZ PHE 16 HZ PHE 16 -4.369 0.982 12.987 121 H GLY 17 H GLY 17 -1.926 -1.088 9.050 122 HA2 GLY 17 HA2 GLY 17 -0.888 -2.099 11.051 123 HA3 GLY 17 HA3 GLY 17 -0.690 -3.618 10.149 124 H PHE 18 H PHE 18 1.305 -1.237 11.135 125 HA PHE 18 HA PHE 18 2.845 -1.203 8.529 126 HB2 PHE 18 HB2 PHE 18 2.634 0.952 10.721 127 HB3 PHE 18 HB3 PHE 18 3.707 1.006 9.305 128 HD1 PHE 18 HD1 PHE 18 0.138 1.115 10.426 129 HD2 PHE 18 HD2 PHE 18 2.774 1.389 7.034 130 HE1 PHE 18 HE1 PHE 18 -1.669 2.161 9.100 131 HE2 PHE 18 HE2 PHE 18 0.983 2.489 5.733 132 HZ PHE 18 HZ PHE 18 -1.246 2.884 6.766 133 H ASN 19 H ASN 19 3.428 -3.436 9.634 134 HA ASN 19 HA ASN 19 5.891 -2.900 11.228 135 HB2 ASN 19 HB2 ASN 19 3.810 -3.217 12.776 136 HB3 ASN 19 HB3 ASN 19 3.708 -4.870 12.142 137 HD21 ASN 19 HD21 ASN 19 5.870 -2.491 13.893 138 HD22 ASN 19 HD22 ASN 19 6.798 -3.694 14.706 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.370 -0.922 2.246 2 HA2 GLY 1 HA2 GLY 1 2.249 0.954 0.105 3 HA3 GLY 1 HA3 GLY 1 3.157 -0.402 0.774 4 H THR 2 H THR 2 0.782 -2.394 0.295 5 HA THR 2 HA THR 2 1.368 -2.662 -2.611 6 HB THR 2 HB THR 2 1.183 -4.586 -0.473 7 HG1 THR 2 HG1 THR 2 2.595 -4.739 -2.335 8 HG21 THR 2 HG21 THR 2 -0.936 -5.198 -2.618 9 HG22 THR 2 HG22 THR 2 -1.332 -4.776 -0.935 10 HG23 THR 2 HG23 THR 2 -0.410 -6.248 -1.301 11 HA PRO 3 HA PRO 3 -2.695 -1.183 -3.499 12 HB2 PRO 3 HB2 PRO 3 -3.385 -2.463 -5.875 13 HB3 PRO 3 HB3 PRO 3 -2.012 -1.321 -5.767 14 HG2 PRO 3 HG2 PRO 3 -1.875 -4.369 -5.449 15 HG3 PRO 3 HG3 PRO 3 -0.987 -3.391 -6.662 16 HD2 PRO 3 HD2 PRO 3 0.238 -4.051 -4.342 17 HD3 PRO 3 HD3 PRO 3 0.371 -2.339 -4.882 18 H GLY 4 H GLY 4 -5.020 -1.754 -3.796 19 HA2 GLY 4 HA2 GLY 4 -6.405 -4.030 -3.681 20 HA3 GLY 4 HA3 GLY 4 -5.701 -3.998 -2.071 21 H PHE 5 H PHE 5 -7.943 -3.963 -1.351 22 HA PHE 5 HA PHE 5 -9.039 -1.229 -1.401 23 HB2 PHE 5 HB2 PHE 5 -10.667 -2.331 -2.611 24 HB3 PHE 5 HB3 PHE 5 -10.403 -3.859 -1.778 25 HD1 PHE 5 HD2 PHE 5 -11.954 -0.527 -1.498 26 HD2 PHE 5 HD1 PHE 5 -11.643 -4.439 0.149 27 HE1 PHE 5 HE2 PHE 5 -13.896 -0.071 -0.058 28 HE2 PHE 5 HE1 PHE 5 -13.585 -3.990 1.591 29 HZ PHE 5 HZ PHE 5 -14.713 -1.803 1.490 30 H GLN 6 H GLN 6 -7.711 -3.641 0.454 31 HA GLN 6 HA GLN 6 -9.130 -3.786 2.792 32 HB2 GLN 6 HB2 GLN 6 -6.134 -3.581 2.455 33 HB3 GLN 6 HB3 GLN 6 -6.935 -4.084 3.937 34 HG2 GLN 6 HG2 GLN 6 -7.181 -6.160 3.203 35 HG3 GLN 6 HG3 GLN 6 -7.858 -5.613 1.670 36 HE21 GLN 6 HE21 GLN 6 -5.961 -7.773 2.273 37 HE22 GLN 6 HE22 GLN 6 -4.565 -7.451 1.309 38 H THR 7 H THR 7 -6.246 -1.389 2.662 39 HA THR 7 HA THR 7 -7.965 0.706 3.582 40 HB THR 7 HB THR 7 -7.333 -1.170 5.574 41 HG1 THR 7 HG1 THR 7 -8.785 0.653 5.896 42 HG21 THR 7 HG21 THR 7 -5.202 1.027 5.906 43 HG22 THR 7 HG22 THR 7 -4.874 -0.682 5.475 44 HG23 THR 7 HG23 THR 7 -5.602 -0.268 7.051 45 HA PRO 8 HA PRO 8 -4.600 2.989 1.854 46 HB2 PRO 8 HB2 PRO 8 -4.417 5.315 3.317 47 HB3 PRO 8 HB3 PRO 8 -5.803 4.917 2.257 48 HG2 PRO 8 HG2 PRO 8 -5.645 4.409 5.266 49 HG3 PRO 8 HG3 PRO 8 -6.907 5.335 4.393 50 HD2 PRO 8 HD2 PRO 8 -7.344 2.742 4.990 51 HD3 PRO 8 HD3 PRO 8 -7.742 3.265 3.310 52 H ASP 9 H ASP 9 -2.460 1.920 2.106 53 HA ASP 9 HA ASP 9 -1.316 1.884 4.802 54 HB2 ASP 9 HB2 ASP 9 0.520 0.681 3.986 55 HB3 ASP 9 HB3 ASP 9 -0.969 -0.015 3.310 56 H ALA 10 H ALA 10 -0.571 3.527 1.601 57 HA ALA 10 HA ALA 10 0.046 5.959 3.019 58 HB1 ALA 10 HB1 ALA 10 2.161 4.959 3.662 59 HB2 ALA 10 HB2 ALA 10 2.439 4.290 2.043 60 HB3 ALA 10 HB3 ALA 10 2.508 6.061 2.305 61 H ARG 11 H ARG 11 1.487 4.560 -0.071 62 HA ARG 11 HA ARG 11 0.186 6.824 -1.488 63 HB2 ARG 11 HB2 ARG 11 2.671 6.100 -1.586 64 HB3 ARG 11 HB3 ARG 11 2.155 4.801 -2.675 65 HG2 ARG 11 HG2 ARG 11 1.387 7.745 -3.300 66 HG3 ARG 11 HG3 ARG 11 3.068 7.230 -3.492 67 HD2 ARG 11 HD2 ARG 11 2.125 7.100 -5.620 68 HD3 ARG 11 HD3 ARG 11 2.378 5.410 -5.057 69 HE ARG 11 HE ARG 11 -0.322 6.234 -4.499 70 HH11 ARG 11 HH11 ARG 11 1.804 5.551 -7.333 71 HH12 ARG 11 HH12 ARG 11 0.434 5.099 -8.337 72 HH21 ARG 11 HH21 ARG 11 -2.005 5.621 -5.868 73 HH22 ARG 11 HH22 ARG 11 -1.675 5.130 -7.532 74 H VAL 12 H VAL 12 -0.145 3.246 -1.012 75 HA VAL 12 HA VAL 12 -2.517 3.369 -2.812 76 HB VAL 12 HB VAL 12 -1.856 1.201 -3.811 77 HG11 VAL 12 HG11 VAL 12 0.013 1.913 -5.235 78 HG12 VAL 12 HG12 VAL 12 -1.136 3.255 -4.989 79 HG13 VAL 12 HG13 VAL 12 0.422 3.237 -4.114 80 HG21 VAL 12 HG21 VAL 12 0.816 1.451 -2.306 81 HG22 VAL 12 HG22 VAL 12 -0.508 0.372 -1.782 82 HG23 VAL 12 HG23 VAL 12 0.284 0.112 -3.363 83 H ILE 13 H ILE 13 -3.530 0.804 -2.330 84 HA ILE 13 HA ILE 13 -4.191 1.230 0.548 85 HB ILE 13 HB ILE 13 -5.804 0.079 -1.669 86 HG12 ILE 13 HG12 ILE 13 -6.834 2.748 -1.085 87 HG13 ILE 13 HG13 ILE 13 -5.111 2.904 -1.424 88 HG21 ILE 13 HG21 ILE 13 -6.688 -0.494 0.547 89 HG22 ILE 13 HG22 ILE 13 -6.762 1.250 0.985 90 HG23 ILE 13 HG23 ILE 13 -7.825 0.597 -0.283 91 HD11 ILE 13 HD11 ILE 13 -6.465 3.109 -3.516 92 HD12 ILE 13 HD12 ILE 13 -5.464 1.635 -3.614 93 HD13 ILE 13 HD13 ILE 13 -7.204 1.510 -3.223 94 H SER 14 H SER 14 -3.598 -0.528 1.973 95 HA SER 14 HA SER 14 -3.222 -3.206 0.662 96 HB2 SER 14 HB2 SER 14 -1.188 -1.387 1.134 97 HB3 SER 14 HB3 SER 14 -1.188 -2.230 2.703 98 HG SER 14 HG SER 14 -0.856 -4.215 1.453 99 H ARG 15 H ARG 15 -2.906 -5.006 2.385 100 HA ARG 15 HA ARG 15 -4.855 -4.952 4.257 101 HB2 ARG 15 HB2 ARG 15 -3.988 -6.744 5.522 102 HB3 ARG 15 HB3 ARG 15 -3.754 -7.065 3.802 103 HG2 ARG 15 HG2 ARG 15 -1.595 -6.108 5.811 104 HG3 ARG 15 HG3 ARG 15 -1.844 -7.793 5.308 105 HD2 ARG 15 HD2 ARG 15 -0.890 -5.525 3.500 106 HD3 ARG 15 HD3 ARG 15 0.089 -6.845 4.190 107 HE ARG 15 HE ARG 15 -2.008 -8.087 2.730 108 HH11 ARG 15 HH11 ARG 15 0.958 -6.140 2.123 109 HH12 ARG 15 HH12 ARG 15 1.227 -6.921 0.570 110 HH21 ARG 15 HH21 ARG 15 -1.614 -8.979 0.716 111 HH22 ARG 15 HH22 ARG 15 -0.199 -8.493 -0.219 112 H PHE 16 H PHE 16 -5.114 -4.507 6.542 113 HA PHE 16 HA PHE 16 -3.656 -2.165 7.329 114 HB2 PHE 16 HB2 PHE 16 -5.959 -2.500 8.166 115 HB3 PHE 16 HB3 PHE 16 -5.499 -4.053 8.894 116 HD1 PHE 16 HD2 PHE 16 -4.127 -0.488 9.007 117 HD2 PHE 16 HD1 PHE 16 -5.380 -3.941 11.260 118 HE1 PHE 16 HE2 PHE 16 -3.569 0.674 11.106 119 HE2 PHE 16 HE1 PHE 16 -4.876 -2.747 13.356 120 HZ PHE 16 HZ PHE 16 -3.961 -0.438 13.292 121 H GLY 17 H GLY 17 -1.875 -1.994 8.905 122 HA2 GLY 17 HA2 GLY 17 -1.014 -4.167 10.511 123 HA3 GLY 17 HA3 GLY 17 -0.151 -4.272 8.953 124 H PHE 18 H PHE 18 1.865 -3.042 8.954 125 HA PHE 18 HA PHE 18 1.877 -0.427 10.295 126 HB2 PHE 18 HB2 PHE 18 2.167 -2.123 12.187 127 HB3 PHE 18 HB3 PHE 18 3.592 -2.766 11.353 128 HD1 PHE 18 HD1 PHE 18 2.071 0.443 12.656 129 HD2 PHE 18 HD2 PHE 18 5.732 -1.690 11.887 130 HE1 PHE 18 HE1 PHE 18 3.357 2.260 13.731 131 HE2 PHE 18 HE2 PHE 18 7.009 0.115 12.994 132 HZ PHE 18 HZ PHE 18 5.829 2.097 13.913 133 H ASN 19 H ASN 19 2.201 -0.207 7.807 134 HA ASN 19 HA ASN 19 4.694 -1.131 6.718 135 HB2 ASN 19 HB2 ASN 19 4.288 0.400 4.852 136 HB3 ASN 19 HB3 ASN 19 2.758 -0.387 5.292 137 HD21 ASN 19 HD21 ASN 19 4.619 2.739 5.509 138 HD22 ASN 19 HD22 ASN 19 3.237 3.695 5.887 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.205 -1.051 1.825 2 HA2 GLY 1 HA2 GLY 1 2.141 0.838 -0.288 3 HA3 GLY 1 HA3 GLY 1 3.029 -0.522 0.400 4 H THR 2 H THR 2 0.593 -2.460 -0.130 5 HA THR 2 HA THR 2 1.135 -2.689 -3.075 6 HB THR 2 HB THR 2 -0.019 -5.102 -2.234 7 HG1 THR 2 HG1 THR 2 1.806 -4.448 -0.135 8 HG21 THR 2 HG21 THR 2 2.277 -6.093 -2.404 9 HG22 THR 2 HG22 THR 2 2.997 -4.456 -2.340 10 HG23 THR 2 HG23 THR 2 2.006 -4.945 -3.744 11 HA PRO 3 HA PRO 3 -2.978 -1.462 -3.635 12 HB2 PRO 3 HB2 PRO 3 -3.834 -2.705 -5.950 13 HB3 PRO 3 HB3 PRO 3 -2.405 -1.619 -5.934 14 HG2 PRO 3 HG2 PRO 3 -2.378 -4.670 -5.625 15 HG3 PRO 3 HG3 PRO 3 -1.524 -3.726 -6.889 16 HD2 PRO 3 HD2 PRO 3 -0.234 -4.465 -4.604 17 HD3 PRO 3 HD3 PRO 3 0.020 -2.782 -5.216 18 H GLY 4 H GLY 4 -5.351 -2.053 -3.743 19 HA2 GLY 4 HA2 GLY 4 -6.586 -4.428 -3.470 20 HA3 GLY 4 HA3 GLY 4 -5.821 -4.239 -1.900 21 H PHE 5 H PHE 5 -8.049 -4.308 -1.108 22 HA PHE 5 HA PHE 5 -9.308 -1.650 -1.270 23 HB2 PHE 5 HB2 PHE 5 -10.907 -2.906 -2.362 24 HB3 PHE 5 HB3 PHE 5 -10.521 -4.371 -1.465 25 HD1 PHE 5 HD2 PHE 5 -12.245 -1.114 -1.271 26 HD2 PHE 5 HD1 PHE 5 -11.681 -4.940 0.507 27 HE1 PHE 5 HE2 PHE 5 -14.164 -0.704 0.213 28 HE2 PHE 5 HE1 PHE 5 -13.600 -4.536 1.993 29 HZ PHE 5 HZ PHE 5 -14.844 -2.416 1.848 30 H GLN 6 H GLN 6 -7.816 -3.913 0.668 31 HA GLN 6 HA GLN 6 -9.168 -3.957 3.057 32 HB2 GLN 6 HB2 GLN 6 -6.284 -4.046 2.318 33 HB3 GLN 6 HB3 GLN 6 -6.687 -3.828 4.016 34 HG2 GLN 6 HG2 GLN 6 -7.783 -5.894 4.138 35 HG3 GLN 6 HG3 GLN 6 -7.870 -6.045 2.383 36 HE21 GLN 6 HE21 GLN 6 -5.390 -5.590 1.536 37 HE22 GLN 6 HE22 GLN 6 -4.281 -6.742 2.190 38 H THR 7 H THR 7 -6.316 -1.611 2.706 39 HA THR 7 HA THR 7 -8.007 0.562 3.583 40 HB THR 7 HB THR 7 -7.176 -1.239 5.618 41 HG1 THR 7 HG1 THR 7 -8.769 0.468 5.904 42 HG21 THR 7 HG21 THR 7 -4.780 -0.549 5.414 43 HG22 THR 7 HG22 THR 7 -5.493 -0.138 7.000 44 HG23 THR 7 HG23 THR 7 -5.245 1.145 5.792 45 HA PRO 8 HA PRO 8 -4.770 2.835 1.620 46 HB2 PRO 8 HB2 PRO 8 -4.550 5.196 3.035 47 HB3 PRO 8 HB3 PRO 8 -5.944 4.771 1.994 48 HG2 PRO 8 HG2 PRO 8 -5.745 4.365 5.013 49 HG3 PRO 8 HG3 PRO 8 -7.040 5.230 4.123 50 HD2 PRO 8 HD2 PRO 8 -7.398 2.666 4.851 51 HD3 PRO 8 HD3 PRO 8 -7.860 3.092 3.158 52 H ASP 9 H ASP 9 -2.596 1.921 1.757 53 HA ASP 9 HA ASP 9 -1.387 1.777 4.425 54 HB2 ASP 9 HB2 ASP 9 0.348 0.501 3.563 55 HB3 ASP 9 HB3 ASP 9 -1.158 -0.110 2.836 56 H ALA 10 H ALA 10 -0.611 3.355 1.216 57 HA ALA 10 HA ALA 10 0.067 5.806 2.585 58 HB1 ALA 10 HB1 ALA 10 2.400 4.058 1.598 59 HB2 ALA 10 HB2 ALA 10 2.519 5.831 1.837 60 HB3 ALA 10 HB3 ALA 10 2.162 4.753 3.214 61 H ARG 11 H ARG 11 1.452 4.337 -0.515 62 HA ARG 11 HA ARG 11 0.180 6.575 -1.955 63 HB2 ARG 11 HB2 ARG 11 2.535 5.627 -2.499 64 HB3 ARG 11 HB3 ARG 11 1.683 4.206 -3.157 65 HG2 ARG 11 HG2 ARG 11 0.342 5.936 -4.620 66 HG3 ARG 11 HG3 ARG 11 1.508 7.160 -4.061 67 HD2 ARG 11 HD2 ARG 11 2.982 4.840 -5.097 68 HD3 ARG 11 HD3 ARG 11 1.785 5.278 -6.305 69 HE ARG 11 HE ARG 11 4.233 6.659 -5.700 70 HH11 ARG 11 HH11 ARG 11 0.800 7.386 -6.554 71 HH12 ARG 11 HH12 ARG 11 1.248 8.892 -7.342 72 HH21 ARG 11 HH21 ARG 11 4.692 8.589 -6.750 73 HH22 ARG 11 HH22 ARG 11 3.401 9.561 -7.457 74 H VAL 12 H VAL 12 -0.250 2.975 -1.449 75 HA VAL 12 HA VAL 12 -2.755 3.136 -3.089 76 HB VAL 12 HB VAL 12 -2.179 0.921 -4.041 77 HG11 VAL 12 HG11 VAL 12 -0.379 1.573 -5.558 78 HG12 VAL 12 HG12 VAL 12 -1.524 2.921 -5.311 79 HG13 VAL 12 HG13 VAL 12 0.068 2.940 -4.504 80 HG21 VAL 12 HG21 VAL 12 0.579 1.170 -2.704 81 HG22 VAL 12 HG22 VAL 12 -0.734 0.155 -2.037 82 HG23 VAL 12 HG23 VAL 12 -0.056 -0.198 -3.654 83 H ILE 13 H ILE 13 -3.691 0.457 -2.464 84 HA ILE 13 HA ILE 13 -4.396 1.059 0.362 85 HB ILE 13 HB ILE 13 -6.023 -0.267 -1.775 86 HG12 ILE 13 HG12 ILE 13 -7.435 1.996 -1.606 87 HG13 ILE 13 HG13 ILE 13 -5.874 2.710 -1.145 88 HG21 ILE 13 HG21 ILE 13 -7.968 0.111 -0.254 89 HG22 ILE 13 HG22 ILE 13 -6.682 -0.802 0.555 90 HG23 ILE 13 HG23 ILE 13 -6.904 0.951 0.892 91 HD11 ILE 13 HD11 ILE 13 -6.570 2.839 -3.638 92 HD12 ILE 13 HD12 ILE 13 -4.978 2.104 -3.423 93 HD13 ILE 13 HD13 ILE 13 -6.399 1.069 -3.739 94 H SER 14 H SER 14 -3.746 -0.614 1.862 95 HA SER 14 HA SER 14 -3.700 -3.389 0.786 96 HB2 SER 14 HB2 SER 14 -1.413 -1.800 0.780 97 HB3 SER 14 HB3 SER 14 -1.300 -2.450 2.418 98 HG SER 14 HG SER 14 -1.469 -4.116 0.098 99 H ARG 15 H ARG 15 -2.778 -4.880 2.699 100 HA ARG 15 HA ARG 15 -4.607 -4.774 4.757 101 HB2 ARG 15 HB2 ARG 15 -3.335 -6.264 6.144 102 HB3 ARG 15 HB3 ARG 15 -3.308 -6.831 4.474 103 HG2 ARG 15 HG2 ARG 15 -0.980 -5.341 5.867 104 HG3 ARG 15 HG3 ARG 15 -1.144 -7.108 5.787 105 HD2 ARG 15 HD2 ARG 15 -0.682 -5.234 3.447 106 HD3 ARG 15 HD3 ARG 15 0.465 -6.420 4.110 107 HE ARG 15 HE ARG 15 -1.663 -8.051 3.471 108 HH11 ARG 15 HH11 ARG 15 0.465 -5.823 1.611 109 HH12 ARG 15 HH12 ARG 15 0.178 -6.697 0.113 110 HH21 ARG 15 HH21 ARG 15 -1.971 -9.091 1.509 111 HH22 ARG 15 HH22 ARG 15 -1.148 -8.522 0.056 112 H PHE 16 H PHE 16 -4.593 -4.140 7.016 113 HA PHE 16 HA PHE 16 -3.267 -1.602 7.470 114 HB2 PHE 16 HB2 PHE 16 -5.408 -2.115 8.615 115 HB3 PHE 16 HB3 PHE 16 -4.706 -3.558 9.369 116 HD1 PHE 16 HD2 PHE 16 -4.555 0.190 9.337 117 HD2 PHE 16 HD1 PHE 16 -3.243 -3.399 11.317 118 HE1 PHE 16 HE2 PHE 16 -3.909 1.517 11.325 119 HE2 PHE 16 HE1 PHE 16 -2.561 -2.065 13.282 120 HZ PHE 16 HZ PHE 16 -2.898 0.396 13.295 121 H GLY 17 H GLY 17 -1.395 -1.238 8.981 122 HA2 GLY 17 HA2 GLY 17 -0.092 -2.972 10.575 123 HA3 GLY 17 HA3 GLY 17 0.427 -3.584 8.988 124 H PHE 18 H PHE 18 0.736 -0.812 11.246 125 HA PHE 18 HA PHE 18 2.689 0.469 9.337 126 HB2 PHE 18 HB2 PHE 18 1.245 1.539 11.828 127 HB3 PHE 18 HB3 PHE 18 2.514 2.402 10.934 128 HD1 PHE 18 HD2 PHE 18 2.156 3.183 8.616 129 HD2 PHE 18 HD1 PHE 18 -1.001 1.173 10.744 130 HE1 PHE 18 HE2 PHE 18 0.526 3.957 6.928 131 HE2 PHE 18 HE1 PHE 18 -2.625 1.937 9.034 132 HZ PHE 18 HZ PHE 18 -1.867 3.315 7.118 133 H ASN 19 H ASN 19 4.126 -1.514 9.798 134 HA ASN 19 HA ASN 19 5.181 -1.793 12.471 135 HB2 ASN 19 HB2 ASN 19 6.997 -3.099 11.449 136 HB3 ASN 19 HB3 ASN 19 5.440 -3.583 10.742 137 HD21 ASN 19 HD21 ASN 19 8.459 -1.763 10.040 138 HD22 ASN 19 HD22 ASN 19 8.205 -1.755 8.321 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.398 -1.012 1.962 2 HA2 GLY 1 HA2 GLY 1 2.227 0.975 -0.105 3 HA3 GLY 1 HA3 GLY 1 3.163 -0.398 0.490 4 H THR 2 H THR 2 0.860 -2.405 0.056 5 HA THR 2 HA THR 2 1.251 -2.611 -2.875 6 HB THR 2 HB THR 2 1.308 -4.542 -0.808 7 HG1 THR 2 HG1 THR 2 1.704 -5.922 -2.664 8 HG21 THR 2 HG21 THR 2 -0.443 -6.175 -1.311 9 HG22 THR 2 HG22 THR 2 -1.105 -5.176 -2.618 10 HG23 THR 2 HG23 THR 2 -1.278 -4.653 -0.921 11 HA PRO 3 HA PRO 3 -2.913 -1.145 -3.461 12 HB2 PRO 3 HB2 PRO 3 -3.735 -2.360 -5.810 13 HB3 PRO 3 HB3 PRO 3 -2.338 -1.237 -5.761 14 HG2 PRO 3 HG2 PRO 3 -2.234 -4.293 -5.517 15 HG3 PRO 3 HG3 PRO 3 -1.401 -3.299 -6.759 16 HD2 PRO 3 HD2 PRO 3 -0.071 -4.042 -4.505 17 HD3 PRO 3 HD3 PRO 3 0.095 -2.331 -5.056 18 H GLY 4 H GLY 4 -5.255 -1.742 -3.595 19 HA2 GLY 4 HA2 GLY 4 -6.579 -4.057 -3.492 20 HA3 GLY 4 HA3 GLY 4 -5.793 -4.059 -1.920 21 H PHE 5 H PHE 5 -7.977 -4.095 -1.062 22 HA PHE 5 HA PHE 5 -9.153 -1.395 -0.986 23 HB2 PHE 5 HB2 PHE 5 -10.829 -2.508 -2.110 24 HB3 PHE 5 HB3 PHE 5 -10.455 -4.054 -1.355 25 HD1 PHE 5 HD1 PHE 5 -12.114 -0.803 -0.863 26 HD2 PHE 5 HD2 PHE 5 -11.525 -4.739 0.644 27 HE1 PHE 5 HE1 PHE 5 -13.969 -0.471 0.720 28 HE2 PHE 5 HE2 PHE 5 -13.379 -4.414 2.228 29 HZ PHE 5 HZ PHE 5 -14.604 -2.278 2.267 30 H GLN 6 H GLN 6 -7.669 -3.830 0.732 31 HA GLN 6 HA GLN 6 -8.932 -4.053 3.147 32 HB2 GLN 6 HB2 GLN 6 -5.966 -3.748 2.653 33 HB3 GLN 6 HB3 GLN 6 -6.676 -4.331 4.153 34 HG2 GLN 6 HG2 GLN 6 -6.331 -6.345 3.242 35 HG3 GLN 6 HG3 GLN 6 -7.836 -6.004 2.389 36 HE21 GLN 6 HE21 GLN 6 -4.711 -6.981 2.029 37 HE22 GLN 6 HE22 GLN 6 -4.497 -6.641 0.349 38 H THR 7 H THR 7 -6.132 -1.562 2.893 39 HA THR 7 HA THR 7 -7.847 0.460 3.969 40 HB THR 7 HB THR 7 -7.070 -1.440 5.884 41 HG1 THR 7 HG1 THR 7 -8.562 0.327 6.298 42 HG21 THR 7 HG21 THR 7 -5.006 0.824 6.169 43 HG22 THR 7 HG22 THR 7 -4.634 -0.864 5.689 44 HG23 THR 7 HG23 THR 7 -5.314 -0.512 7.301 45 HA PRO 8 HA PRO 8 -4.667 2.858 2.087 46 HB2 PRO 8 HB2 PRO 8 -4.379 5.126 3.657 47 HB3 PRO 8 HB3 PRO 8 -5.810 4.786 2.638 48 HG2 PRO 8 HG2 PRO 8 -5.525 4.135 5.609 49 HG3 PRO 8 HG3 PRO 8 -6.827 5.093 4.834 50 HD2 PRO 8 HD2 PRO 8 -7.242 2.483 5.337 51 HD3 PRO 8 HD3 PRO 8 -7.695 3.061 3.689 52 H ASP 9 H ASP 9 -2.470 1.947 2.113 53 HA ASP 9 HA ASP 9 -1.226 1.566 4.741 54 HB2 ASP 9 HB2 ASP 9 0.375 0.237 3.755 55 HB3 ASP 9 HB3 ASP 9 -1.134 -0.137 2.901 56 H ALA 10 H ALA 10 -0.558 3.425 1.658 57 HA ALA 10 HA ALA 10 0.222 5.723 3.238 58 HB1 ALA 10 HB1 ALA 10 2.615 5.818 2.307 59 HB2 ALA 10 HB2 ALA 10 2.348 4.619 3.602 60 HB3 ALA 10 HB3 ALA 10 2.459 4.074 1.917 61 H ARG 11 H ARG 11 1.445 4.699 -0.081 62 HA ARG 11 HA ARG 11 -0.118 6.931 -1.216 63 HB2 ARG 11 HB2 ARG 11 2.170 6.385 -2.084 64 HB3 ARG 11 HB3 ARG 11 1.586 4.783 -2.602 65 HG2 ARG 11 HG2 ARG 11 -0.135 5.955 -4.104 66 HG3 ARG 11 HG3 ARG 11 0.551 7.523 -3.599 67 HD2 ARG 11 HD2 ARG 11 2.757 6.852 -4.582 68 HD3 ARG 11 HD3 ARG 11 2.040 5.269 -5.063 69 HE ARG 11 HE ARG 11 0.413 7.380 -6.132 70 HH11 ARG 11 HH11 ARG 11 3.688 5.948 -6.587 71 HH12 ARG 11 HH12 ARG 11 3.726 6.406 -8.285 72 HH21 ARG 11 HH21 ARG 11 0.561 7.927 -8.307 73 HH22 ARG 11 HH22 ARG 11 1.997 7.507 -9.243 74 H VAL 12 H VAL 12 -0.157 3.267 -1.090 75 HA VAL 12 HA VAL 12 -2.800 3.339 -2.522 76 HB VAL 12 HB VAL 12 -2.151 1.284 -3.673 77 HG11 VAL 12 HG11 VAL 12 -0.429 2.140 -5.196 78 HG12 VAL 12 HG12 VAL 12 -1.591 3.432 -4.778 79 HG13 VAL 12 HG13 VAL 12 0.030 3.405 -4.029 80 HG21 VAL 12 HG21 VAL 12 -0.599 0.439 -1.783 81 HG22 VAL 12 HG22 VAL 12 0.003 0.207 -3.453 82 HG23 VAL 12 HG23 VAL 12 0.655 1.528 -2.443 83 H ILE 13 H ILE 13 -3.617 0.696 -2.077 84 HA ILE 13 HA ILE 13 -4.214 1.048 0.823 85 HB ILE 13 HB ILE 13 -5.819 -0.055 -1.445 86 HG12 ILE 13 HG12 ILE 13 -6.881 2.549 -0.555 87 HG13 ILE 13 HG13 ILE 13 -5.203 2.754 -1.048 88 HG21 ILE 13 HG21 ILE 13 -7.836 0.312 0.003 89 HG22 ILE 13 HG22 ILE 13 -6.687 -0.859 0.700 90 HG23 ILE 13 HG23 ILE 13 -6.769 0.826 1.321 91 HD11 ILE 13 HD11 ILE 13 -5.715 1.647 -3.266 92 HD12 ILE 13 HD12 ILE 13 -7.418 1.451 -2.752 93 HD13 ILE 13 HD13 ILE 13 -6.733 3.086 -2.982 94 H SER 14 H SER 14 -3.533 -0.735 2.197 95 HA SER 14 HA SER 14 -3.465 -3.440 0.910 96 HB2 SER 14 HB2 SER 14 -1.194 -2.050 0.963 97 HB3 SER 14 HB3 SER 14 -1.175 -2.425 2.702 98 HG SER 14 HG SER 14 -0.124 -4.142 1.489 99 H ARG 15 H ARG 15 -2.768 -5.163 2.664 100 HA ARG 15 HA ARG 15 -4.602 -5.098 4.718 101 HB2 ARG 15 HB2 ARG 15 -3.581 -6.887 5.874 102 HB3 ARG 15 HB3 ARG 15 -3.479 -7.209 4.145 103 HG2 ARG 15 HG2 ARG 15 -1.205 -6.182 5.993 104 HG3 ARG 15 HG3 ARG 15 -1.434 -7.870 5.485 105 HD2 ARG 15 HD2 ARG 15 -0.656 -5.548 3.652 106 HD3 ARG 15 HD3 ARG 15 0.391 -6.857 4.266 107 HE ARG 15 HE ARG 15 -1.779 -8.097 2.891 108 HH11 ARG 15 HH11 ARG 15 1.162 -6.143 2.187 109 HH12 ARG 15 HH12 ARG 15 1.326 -6.852 0.586 110 HH21 ARG 15 HH21 ARG 15 -1.498 -8.923 0.829 111 HH22 ARG 15 HH22 ARG 15 -0.136 -8.407 -0.165 112 H PHE 16 H PHE 16 -4.444 -4.826 7.092 113 HA PHE 16 HA PHE 16 -3.008 -2.347 7.675 114 HB2 PHE 16 HB2 PHE 16 -5.236 -2.697 8.658 115 HB3 PHE 16 HB3 PHE 16 -4.714 -4.216 9.414 116 HD1 PHE 16 HD1 PHE 16 -3.662 -0.563 9.261 117 HD2 PHE 16 HD2 PHE 16 -4.053 -4.087 11.709 118 HE1 PHE 16 HE1 PHE 16 -2.859 0.704 11.223 119 HE2 PHE 16 HE2 PHE 16 -3.279 -2.807 13.670 120 HZ PHE 16 HZ PHE 16 -2.669 -0.410 13.436 121 H GLY 17 H GLY 17 -0.784 -3.301 7.110 122 HA2 GLY 17 HA2 GLY 17 0.316 -4.931 9.399 123 HA3 GLY 17 HA3 GLY 17 1.008 -4.780 7.772 124 H PHE 18 H PHE 18 -0.365 -1.839 9.386 125 HA PHE 18 HA PHE 18 0.759 0.142 9.810 126 HB2 PHE 18 HB2 PHE 18 0.871 -1.280 11.911 127 HB3 PHE 18 HB3 PHE 18 2.493 -1.821 11.433 128 HD1 PHE 18 HD1 PHE 18 0.394 1.225 12.155 129 HD2 PHE 18 HD2 PHE 18 4.398 -0.349 11.966 130 HE1 PHE 18 HE1 PHE 18 1.267 3.319 13.140 131 HE2 PHE 18 HE2 PHE 18 5.266 1.753 12.934 132 HZ PHE 18 HZ PHE 18 3.706 3.592 13.527 133 H ASN 19 H ASN 19 1.382 -0.144 7.331 134 HA ASN 19 HA ASN 19 4.117 -0.841 6.760 135 HB2 ASN 19 HB2 ASN 19 2.331 -0.738 5.012 136 HB3 ASN 19 HB3 ASN 19 2.216 1.029 5.213 137 HD21 ASN 19 HD21 ASN 19 4.235 2.370 4.623 138 HD22 ASN 19 HD22 ASN 19 5.313 1.700 3.459 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.597 -0.416 1.479 2 HA2 GLY 1 HA2 GLY 1 2.154 1.405 -0.819 3 HA3 GLY 1 HA3 GLY 1 3.188 0.117 -0.200 4 H THR 2 H THR 2 1.048 -2.037 -0.283 5 HA THR 2 HA THR 2 1.234 -2.494 -3.190 6 HB THR 2 HB THR 2 1.441 -4.234 -0.989 7 HG1 THR 2 HG1 THR 2 1.732 -5.763 -2.748 8 HG21 THR 2 HG21 THR 2 -1.147 -4.384 -0.918 9 HG22 THR 2 HG22 THR 2 -0.304 -5.925 -1.220 10 HG23 THR 2 HG23 THR 2 -1.072 -5.055 -2.570 11 HA PRO 3 HA PRO 3 -2.932 -1.075 -3.709 12 HB2 PRO 3 HB2 PRO 3 -3.818 -2.389 -5.982 13 HB3 PRO 3 HB3 PRO 3 -2.398 -1.296 -6.022 14 HG2 PRO 3 HG2 PRO 3 -2.355 -4.337 -5.618 15 HG3 PRO 3 HG3 PRO 3 -1.534 -3.433 -6.933 16 HD2 PRO 3 HD2 PRO 3 -0.167 -4.079 -4.663 17 HD3 PRO 3 HD3 PRO 3 0.031 -2.413 -5.332 18 H GLY 4 H GLY 4 -5.291 -1.709 -3.815 19 HA2 GLY 4 HA2 GLY 4 -6.613 -3.997 -3.518 20 HA3 GLY 4 HA3 GLY 4 -5.755 -3.930 -1.986 21 H PHE 5 H PHE 5 -7.907 -3.917 -1.038 22 HA PHE 5 HA PHE 5 -9.046 -1.201 -1.011 23 HB2 PHE 5 HB2 PHE 5 -10.762 -2.338 -2.064 24 HB3 PHE 5 HB3 PHE 5 -10.409 -3.851 -1.236 25 HD1 PHE 5 HD2 PHE 5 -11.879 -0.487 -0.786 26 HD2 PHE 5 HD1 PHE 5 -11.549 -4.454 0.720 27 HE1 PHE 5 HE2 PHE 5 -13.689 -0.026 0.816 28 HE2 PHE 5 HE1 PHE 5 -13.359 -4.000 2.324 29 HZ PHE 5 HZ PHE 5 -14.431 -1.783 2.374 30 H GLN 6 H GLN 6 -7.509 -3.571 0.724 31 HA GLN 6 HA GLN 6 -8.702 -3.733 3.184 32 HB2 GLN 6 HB2 GLN 6 -5.754 -3.458 2.578 33 HB3 GLN 6 HB3 GLN 6 -6.410 -3.984 4.122 34 HG2 GLN 6 HG2 GLN 6 -6.060 -6.022 3.242 35 HG3 GLN 6 HG3 GLN 6 -7.640 -5.730 2.517 36 HE21 GLN 6 HE21 GLN 6 -4.293 -6.174 1.966 37 HE22 GLN 6 HE22 GLN 6 -4.333 -6.086 0.242 38 H THR 7 H THR 7 -5.893 -1.272 2.791 39 HA THR 7 HA THR 7 -7.582 0.790 3.860 40 HB THR 7 HB THR 7 -6.712 -1.052 5.782 41 HG1 THR 7 HG1 THR 7 -8.172 0.732 6.228 42 HG21 THR 7 HG21 THR 7 -4.293 -0.490 5.425 43 HG22 THR 7 HG22 THR 7 -4.872 -0.105 7.077 44 HG23 THR 7 HG23 THR 7 -4.628 1.208 5.900 45 HA PRO 8 HA PRO 8 -4.518 3.187 1.779 46 HB2 PRO 8 HB2 PRO 8 -4.249 5.509 3.237 47 HB3 PRO 8 HB3 PRO 8 -5.720 5.076 2.314 48 HG2 PRO 8 HG2 PRO 8 -5.251 4.558 5.287 49 HG3 PRO 8 HG3 PRO 8 -6.623 5.443 4.549 50 HD2 PRO 8 HD2 PRO 8 -6.919 2.845 5.170 51 HD3 PRO 8 HD3 PRO 8 -7.486 3.348 3.533 52 H ASP 9 H ASP 9 -2.280 2.351 1.741 53 HA ASP 9 HA ASP 9 -0.868 2.257 4.322 54 HB2 ASP 9 HB2 ASP 9 0.915 1.156 3.278 55 HB3 ASP 9 HB3 ASP 9 -0.621 0.421 2.765 56 H ALA 10 H ALA 10 -0.439 3.911 1.081 57 HA ALA 10 HA ALA 10 0.327 6.353 2.454 58 HB1 ALA 10 HB1 ALA 10 2.544 4.684 1.117 59 HB2 ALA 10 HB2 ALA 10 2.669 6.443 1.436 60 HB3 ALA 10 HB3 ALA 10 2.488 5.288 2.786 61 H ARG 11 H ARG 11 1.293 4.953 -0.835 62 HA ARG 11 HA ARG 11 -0.261 7.192 -1.997 63 HB2 ARG 11 HB2 ARG 11 2.178 6.322 -2.739 64 HB3 ARG 11 HB3 ARG 11 1.235 5.157 -3.675 65 HG2 ARG 11 HG2 ARG 11 -0.095 7.525 -4.368 66 HG3 ARG 11 HG3 ARG 11 1.493 8.181 -3.940 67 HD2 ARG 11 HD2 ARG 11 1.572 7.767 -6.292 68 HD3 ARG 11 HD3 ARG 11 2.489 6.402 -5.564 69 HE ARG 11 HE ARG 11 -0.306 5.690 -5.840 70 HH11 ARG 11 HH11 ARG 11 2.580 6.305 -7.902 71 HH12 ARG 11 HH12 ARG 11 1.953 5.293 -9.197 72 HH21 ARG 11 HH21 ARG 11 -1.028 4.433 -7.555 73 HH22 ARG 11 HH22 ARG 11 -0.045 4.247 -9.007 74 H VAL 12 H VAL 12 -0.386 3.572 -1.606 75 HA VAL 12 HA VAL 12 -3.008 3.599 -3.054 76 HB VAL 12 HB VAL 12 -2.429 1.456 -4.105 77 HG11 VAL 12 HG11 VAL 12 -0.221 3.488 -4.673 78 HG12 VAL 12 HG12 VAL 12 -0.780 2.184 -5.750 79 HG13 VAL 12 HG13 VAL 12 -1.883 3.529 -5.336 80 HG21 VAL 12 HG21 VAL 12 -0.842 0.670 -2.243 81 HG22 VAL 12 HG22 VAL 12 -0.249 0.396 -3.910 82 HG23 VAL 12 HG23 VAL 12 0.399 1.755 -2.941 83 H ILE 13 H ILE 13 -3.776 0.912 -2.413 84 HA ILE 13 HA ILE 13 -4.192 1.412 0.494 85 HB ILE 13 HB ILE 13 -6.004 0.166 -1.505 86 HG12 ILE 13 HG12 ILE 13 -7.065 2.805 -0.994 87 HG13 ILE 13 HG13 ILE 13 -5.372 3.041 -1.420 88 HG21 ILE 13 HG21 ILE 13 -7.867 0.719 0.057 89 HG22 ILE 13 HG22 ILE 13 -6.625 -0.296 0.822 90 HG23 ILE 13 HG23 ILE 13 -6.697 1.468 1.169 91 HD11 ILE 13 HD11 ILE 13 -5.779 1.660 -3.549 92 HD12 ILE 13 HD12 ILE 13 -7.488 1.492 -3.058 93 HD13 ILE 13 HD13 ILE 13 -6.822 3.102 -3.447 94 H SER 14 H SER 14 -3.253 -0.254 1.812 95 HA SER 14 HA SER 14 -3.015 -2.955 0.507 96 HB2 SER 14 HB2 SER 14 -0.888 -1.385 0.704 97 HB3 SER 14 HB3 SER 14 -0.967 -1.755 2.446 98 HG SER 14 HG SER 14 0.315 -3.409 1.428 99 H ARG 15 H ARG 15 -2.253 -4.632 2.188 100 HA ARG 15 HA ARG 15 -4.168 -4.906 4.105 101 HB2 ARG 15 HB2 ARG 15 -3.029 -6.583 5.311 102 HB3 ARG 15 HB3 ARG 15 -2.753 -6.876 3.583 103 HG2 ARG 15 HG2 ARG 15 -0.704 -5.616 5.520 104 HG3 ARG 15 HG3 ARG 15 -0.810 -7.332 5.109 105 HD2 ARG 15 HD2 ARG 15 -0.138 -5.043 3.224 106 HD3 ARG 15 HD3 ARG 15 0.994 -6.271 3.733 107 HE ARG 15 HE ARG 15 -0.952 -6.427 1.554 108 HH11 ARG 15 HH11 ARG 15 0.803 -8.514 3.928 109 HH12 ARG 15 HH12 ARG 15 0.575 -9.936 2.923 110 HH21 ARG 15 HH21 ARG 15 -1.193 -8.299 0.374 111 HH22 ARG 15 HH22 ARG 15 -0.512 -9.820 0.951 112 H PHE 16 H PHE 16 -4.473 -4.327 6.301 113 HA PHE 16 HA PHE 16 -3.247 -1.991 7.215 114 HB2 PHE 16 HB2 PHE 16 -4.265 -2.444 9.338 115 HB3 PHE 16 HB3 PHE 16 -5.377 -3.000 8.091 116 HD1 PHE 16 HD1 PHE 16 -5.729 -5.384 7.713 117 HD2 PHE 16 HD2 PHE 16 -3.195 -3.980 10.831 118 HE1 PHE 16 HE1 PHE 16 -5.794 -7.608 8.763 119 HE2 PHE 16 HE2 PHE 16 -3.255 -6.202 11.886 120 HZ PHE 16 HZ PHE 16 -4.556 -8.020 10.851 121 H GLY 17 H GLY 17 -1.412 -1.540 8.602 122 HA2 GLY 17 HA2 GLY 17 0.076 -3.890 9.674 123 HA3 GLY 17 HA3 GLY 17 0.890 -2.893 8.447 124 H PHE 18 H PHE 18 1.285 -0.538 9.019 125 HA PHE 18 HA PHE 18 0.855 0.150 11.889 126 HB2 PHE 18 HB2 PHE 18 3.627 0.099 10.537 127 HB3 PHE 18 HB3 PHE 18 3.298 0.473 12.244 128 HD1 PHE 18 HD2 PHE 18 2.403 -1.353 13.776 129 HD2 PHE 18 HD1 PHE 18 3.757 -2.223 9.782 130 HE1 PHE 18 HE2 PHE 18 2.494 -3.766 14.327 131 HE2 PHE 18 HE1 PHE 18 3.856 -4.629 10.340 132 HZ PHE 18 HZ PHE 18 3.214 -5.410 12.610 133 H ASN 19 H ASN 19 1.874 2.490 12.258 134 HA ASN 19 HA ASN 19 1.795 4.717 11.664 135 HB2 ASN 19 HB2 ASN 19 2.629 3.715 8.886 136 HB3 ASN 19 HB3 ASN 19 2.754 5.376 9.519 137 HD21 ASN 19 HD21 ASN 19 5.112 4.523 8.640 138 HD22 ASN 19 HD22 ASN 19 6.128 3.955 9.915