Structural statistics: str target upper limits lower limits van der Waals torsion angles function # rms max # rms max # sum max # rms max 1 1111.20 69 0.1091 4.91 10 0.1054 0.48 613 319.4 1.12 52 7.9143 32.29 2 1142.05 64 0.1093 4.05 8 0.0780 0.33 651 331.9 1.21 5110.5738 94.40 3 1148.22 73 0.1086 4.26 4 0.0561 0.30 605 326.6 1.21 4713.5567125.97 4 1156.16 58 0.1073 4.27 8 0.0635 0.22 711 370.8 1.28 5310.8876 89.08 5 1163.34 62 0.1095 4.53 8 0.0845 0.29 670 356.1 1.16 54 8.8815 44.12 6 1176.26 70 0.1098 3.26 10 0.0989 0.46 656 346.3 1.28 5010.5219 54.96 7 1181.21 72 0.1116 5.63 8 0.0780 0.38 637 331.0 1.05 49 8.5260 31.48 8 1183.75 73 0.1119 4.07 8 0.0913 0.52 602 315.4 1.21 5111.9906 80.73 9 1192.57 71 0.1110 4.73 12 0.1025 0.40 711 355.6 1.31 5310.8189 99.48 10 1200.64 69 0.1114 4.34 8 0.1048 0.51 672 346.0 1.42 5210.4459100.49 11 1206.44 82 0.1121 4.35 8 0.0834 0.35 692 361.9 1.09 52 9.3286 51.00 12 1210.75 75 0.1109 4.88 8 0.0765 0.35 678 354.7 1.06 5612.1647 89.59 13 1212.92 76 0.1122 4.49 16 0.1001 0.37 683 353.4 0.95 5611.7975 87.89 14 1215.56 69 0.1115 5.32 10 0.1082 0.57 707 363.0 1.01 5210.3405 77.03 15 1221.68 76 0.1124 4.57 18 0.1384 0.78 697 359.0 1.29 4410.0733 61.58 16 1224.14 67 0.1102 5.03 10 0.0809 0.41 756 392.5 1.00 5711.3217 87.21 17 1224.48 81 0.1108 4.05 14 0.1015 0.47 707 368.0 1.12 5312.0404 77.54 18 1228.19 68 0.1115 4.42 10 0.0780 0.34 705 370.3 1.12 56 9.3202 44.99 19 1230.00 83 0.1121 4.86 10 0.0804 0.36 737 364.0 1.17 5611.2439 86.57 20 1230.62 69 0.1136 5.52 18 0.1150 0.36 658 341.5 1.16 50 9.8173 62.22 Ave 1193.01 71 0.1108 4.58 10 0.0913 0.41 677 351.4 1.16 5210.5783 73.93 +/- 33.39 6 0.0015 0.54 4 0.0186 0.12 41 18.8 0.12 3 1.3491 24.49 Min 1111.20 58 0.1073 3.26 4 0.0561 0.22 602 315.4 0.95 44 7.9143 31.48 Max 1230.62 83 0.1136 5.63 18 0.1384 0.78 756 392.5 1.42 5713.5567125.97 Cut 1.50 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 MET 11 - QD1 LEU 97 3.64 16 2.04 2.81 +++ +++ ++++++*+++ peak 9129 HB ILE 56 - QD1 LEU 97 HB2 LYS 61 - QD1 LEU 97 QD1 LEU 97 - HB3 PRO 98 Upper HB2 PRO 12 - QD1 ILE 136 3.56 6 1.38 1.78 + * + + + + peak 11624 HB2 ARG 49 - QD1 ILE 136 HG LEU 66 - QD1 ILE 136 HG LEU 95 - QD1 ILE 136 QD1 ILE 136 - HG3 ARG 140 HB2 ARG 35 - H THR 107 HB2 ARG 35 - H SER 138 Upper HG2 PRO 12 - QD1 LEU 95 4.23 13 2.35 4.26 +++ +++++* + + ++ peak 11627 HG3 PRO 12 - QD1 LEU 95 HB2 LYS 86 - QD1 LEU 95 H HIS 14 - HA ARG 35 HA ARG 35 - H THR 107 HA ARG 35 - H SER 138 Upper HG3 PRO 12 - QD1 LEU 95 3.76 15 2.19 3.74 *++ + ++++ + ++ ++++ peak 9456 HG LEU 42 - HG13 ILE 83 HG13 ILE 83 - QD1 LEU 95 HB2 LYS 86 - QD1 LEU 95 QD1 LEU 26 - HG3 GLU 122 HG13 ILE 56 - HG3 GLU 122 QG2 THR 107 - HG3 GLU 122 Upper HB2 HIS 14 - HA LYS 24 4.10 16 1.94 2.99 +* +++++ +++++++++ peak 10642 HA LYS 24 - HE3 LYS 48 HA LYS 24 - HE2 LYS 61 HA LYS 24 - HE3 LYS 61 HA LYS 24 - HE3 LYS 93 HB2 ASP 32 - HG12 ILE 91 HB2 PHE 43 - HG12 ILE 91 HG12 ILE 91 - HB3 TYR 115 Upper HA LYS 24 - HD2 LYS 34 3.77 16 3.00 4.77 + +++ *+++++++++ + + peak 9541 HA LYS 24 - HD3 LYS 34 HA LYS 24 - HB3 LEU 72 HG2 PRO 33 - HB2 ASN 130 HB VAL 53 - HB2 ASN 130 HB2 ASN 130 - HB3 GLU 142 Upper HB3 LYS 24 - HD2 LYS 34 3.20 11 1.60 2.80 +++ + + ++ + ++ * peak 10648 HB3 LYS 24 - HD3 LYS 34 HB3 LYS 24 - HG2 PRO 57 HB3 LYS 24 - HG LEU 72 HB3 LYS 24 - HD3 LYS 86 QE PHE 45 - QG2 THR 51 Upper HB3 LYS 24 - HG12 ILE 91 4.32 17 2.14 4.08 +++ *++++++ + ++++++ peak 11627 HB3 LYS 24 - HG3 LYS 93 HB3 LYS 24 - HD2 LYS 114 H HIS 14 - HA ARG 35 HA ARG 35 - H THR 107 HA ARG 35 - H SER 138 Upper HG2 LYS 24 - QD1 LEU 87 3.31 6 1.06 2.99 +*++++ peak 9085 HG2 LYS 48 - QD1 LEU 87 QD1 LEU 87 - HB3 LYS 114 QD1 LEU 87 - HB3 LYS 123 HA LYS 93 - HA ASN 96 HA ASN 96 - HA THR 102 Upper HG2 LYS 24 - HB3 TYR 115 5.35 10 1.23 2.02 + *++ + +++ ++ peak 10216 HG2 LYS 48 - HB3 TYR 115 HG12 ILE 91 - HB3 TYR 115 HD2 LYS 114 - HB3 TYR 115 HB3 TYR 115 - HB3 LYS 123 Upper HG2 LYS 24 - H SER 138 4.25 9 1.30 2.08 + +++*+ +++ peak 9878 HB2 ARG 35 - H SER 138 HG2 LYS 36 - H SER 138 HG3 LYS 93 - H SER 138 HD2 LYS 114 - H SER 138 HG LEU 116 - H SER 138 HA LEU 64 - QD1 LEU 72 HA LEU 64 - QD2 LEU 72 HA LEU 64 - QG2 VAL 73 HA LEU 64 - QD1 LEU 108 HA LEU 64 - QD1 ILE 136 Upper HG3 LYS 24 - HB2 LEU 26 4.70 6 0.72 2.35 ++ + + + * peak 9846 HG3 LYS 24 - HG3 PRO 33 HG3 LYS 24 - HB3 LYS 36 HG3 LYS 24 - HB3 LYS 61 HG3 LYS 24 - HB3 GLN 62 HA VAL 53 - HB2 GLN 62 HA VAL 53 - HB3 LEU 69 HA VAL 53 - HB3 ARG 89 HA VAL 53 - HB3 LYS 93 HA VAL 53 - HB3 GLN 111 Upper HD2 LYS 24 - QD1 ILE 83 3.41 7 1.39 2.10 + + + + * ++ peak 10117 HB3 LEU 26 - QD1 ILE 83 HG3 LYS 34 - QD1 ILE 83 HG3 ARG 49 - QD1 ILE 83 HB3 LEU 64 - QD1 ILE 83 QD1 ILE 83 - HB2 LEU 87 HG LEU 42 - HG12 ILE 58 HG12 ILE 58 - QD1 LEU 95 HG LEU 42 - HG13 ILE 58 HG13 ILE 58 - QD1 LEU 95 HG LEU 42 - QB ALA 104 QD1 LEU 95 - QB ALA 104 Upper O LYS 24 - N GLU 28 3.00 11 1.78 2.98 + + + + + * +++++ Upper O LYS 24 - H GLU 28 2.00 12 2.03 3.20 + + + + + + + +*+++ Upper HG3 GLN 25 - HD2 LYS 34 4.08 17 3.06 5.52 ++++ +++ +++++++++* peak 9527 HD2 LYS 34 - HG2 MET 46 HD2 LYS 34 - QE MET 46 HD2 LYS 34 - HG2 MET 59 HD3 LYS 34 - HG2 MET 59 HD2 LYS 34 - HG3 MET 59 HD3 LYS 34 - HG3 MET 59 HD2 LYS 34 - HB ILE 91 HD3 LYS 34 - HB ILE 91 HD2 LYS 34 - HB3 PRO 118 HD3 LYS 34 - HB3 PRO 118 HB3 TYR 27 - HG3 PRO 129 HB2 ASP 30 - HG3 PRO 129 HA VAL 71 - HG3 PRO 129 HA VAL 82 - HG3 PRO 129 Upper HG3 GLN 25 - HD3 PRO 52 5.08 6 1.03 1.72 +++ + + * peak 10704 HG2 MET 46 - HD3 PRO 52 HD3 PRO 52 - HG2 MET 59 HD3 PRO 52 - HG3 MET 59 HD3 PRO 52 - HB ILE 91 HD3 PRO 52 - HB3 PRO 118 HD3 PRO 52 - HG2 GLN 133 HD3 PRO 52 - HG3 GLN 133 HA TYR 119 - QD2 LEU 132 Upper HE21 GLN 25 - HA LEU 29 3.48 12 1.49 2.65 + +* + +++ +++ + + peak 10005 HE21 GLN 25 - HA ALA 60 HE21 GLN 25 - HA LYS 86 HE21 GLN 25 - HD3 PRO 129 HG2 LYS 24 - QD1 ILE 83 HB2 ARG 35 - QD1 ILE 83 HG2 ARG 49 - QD1 ILE 83 HB2 LEU 69 - QD1 ILE 83 QD1 ILE 83 - HG2 LYS 86 QD1 ILE 83 - HG LEU 116 Upper HG LEU 26 - HG13 ILE 83 3.98 6 1.33 1.67 ++ + + * + peak 9999 HG13 ILE 83 - HD2 LYS 86 HG13 ILE 83 - HB3 LEU 95 HG13 ILE 83 - HG LEU 97 H ASP 30 - QG2 VAL 82 H PHE 67 - QG2 VAL 82 QG2 VAL 82 - QD TYR 115 Upper HB3 TYR 27 - QD2 LEU 66 4.44 9 1.44 2.68 + + + + ++*+ + peak 11597 QD2 LEU 66 - HA VAL 71 QD2 LEU 66 - HA VAL 82 HE22 GLN 25 - QG2 VAL 82 HE ARG 49 - QG2 VAL 82 H TYR 70 - QG2 VAL 82 Upper H LEU 29 - HA3 GLY 50 3.98 15 1.89 3.55 +++ ++ ++ +++++*++ peak 10122 H LEU 29 - HA LEU 66 H LEU 29 - HB2 SER 100 H LEU 29 - HD2 PRO 118 H LEU 29 - HA GLN 133 HB THR 92 - HB3 ASN 96 HB3 ASN 96 - HB THR 102 HB3 ASN 96 - HA ARG 141 HB3 ASN 96 - HA GLU 142 Upper HA LEU 29 - HB3 PRO 33 4.13 10 1.41 3.44 +++ + + + ++ +* peak 8150 HA LEU 29 - QE MET 46 HA LEU 29 - HG2 MET 68 HA LEU 29 - HB3 PRO 118 HA LEU 29 - HG2 GLN 133 HA LEU 29 - HG3 GLN 133 QD1 LEU 42 - HB3 ASN 96 QD1 LEU 42 - HA ALA 105 QD1 LEU 42 - HD2 ARG 109 QD1 LEU 42 - HD2 ARG 145 QD1 LEU 42 - HD3 ARG 145 Upper HB2 LEU 29 - HD2 PRO 98 4.93 17 2.53 4.04 +++++ ++++++*++ +++ peak 10538 HG2 LYS 34 - HD2 PRO 98 HG3 PRO 57 - HD2 PRO 98 HG3 LYS 85 - HD2 PRO 98 HD2 PRO 98 - HB2 GLU 122 HD2 PRO 98 - HB2 LYS 123 HD2 PRO 98 - QB ALA 135 HA LYS 36 - H TYR 117 HA LEU 72 - H TYR 117 Upper QD2 LEU 29 - HB2 LEU 72 4.57 16 1.77 2.81 ++++++++ +++ *+ +++ peak 10538 QG1 VAL 63 - HB2 LEU 72 HB2 LEU 72 - HB2 LEU 108 HA LYS 36 - H TYR 117 HA LEU 72 - H TYR 117 Upper QD2 LEU 29 - HE2 LYS 76 5.34 15 1.73 2.36 ++++*+++++++ + ++ peak 8451 QD2 LEU 29 - HE3 LYS 76 QD2 LEU 29 - HE2 LYS 114 QE MET 68 - HA ILE 83 QE MET 68 - HA THR 92 Upper QD2 LEU 29 - QG2 VAL 82 3.32 20 2.30 3.43 +++++++++*++++++++++ peak 9873 QG1 VAL 63 - QG2 VAL 82 HB2 LEU 64 - QG2 VAL 82 QG2 VAL 82 - HB2 LEU 108 HB2 MET 46 - QG1 VAL 63 HB3 PRO 57 - QG1 VAL 63 QG1 VAL 63 - HG2 GLU 75 QG1 VAL 63 - HB3 LYS 86 QG1 VAL 63 - HB2 MET 113 Upper H ASP 30 - HB3 LYS 36 5.00 6 1.10 1.87 + +++ + * peak 10784 H ARG 35 - HB3 LYS 36 HB3 LYS 36 - H PHE 67 HB3 LYS 36 - QD TYR 115 Upper HG2 PRO 33 - HB3 ASN 130 4.35 19 2.48 3.46 *+++++++++++ +++++++ peak 10345 HG2 PRO 118 - HB3 ASN 130 HG2 GLU 122 - HB3 ASN 130 HB3 ASN 130 - HB3 GLU 142 HD2 LYS 93 - HA SER 138 HB3 LEU 95 - HA SER 138 Upper HD3 PRO 33 - HG2 GLN 47 4.04 9 1.21 2.07 +++ + + ++ +* peak 10508 HD3 PRO 33 - HG3 GLN 47 HD3 PRO 118 - HG2 GLN 133 HD3 PRO 118 - HG3 GLN 133 QD2 LEU 42 - H PHE 45 Upper HB2 LYS 34 - QD2 LEU 64 3.30 9 1.49 2.82 + + ++ * + ++ + peak 8380 HB ILE 56 - QD2 LEU 64 QD2 LEU 64 - HB3 GLU 75 QD2 LEU 64 - HB3 PRO 98 QD2 LEU 64 - HB3 ARG 124 QG1 VAL 63 - H LEU 66 H LEU 66 - QG2 VAL 80 H LEU 66 - QG2 ILE 101 H LEU 66 - QD1 ILE 101 H LEU 66 - QG2 ILE 136 Upper HB2 LYS 34 - HD2 LYS 123 4.78 6 1.38 1.95 *+ + + + + peak 9470 HB3 GLU 75 - HD2 LYS 123 HD2 LYS 123 - HB3 ARG 124 Upper HG2 LYS 34 - HD2 PRO 98 4.28 19 2.58 3.67 +++++++++++++*+++++ peak 8400 HD2 PRO 98 - HB2 LYS 123 HA PRO 12 - QD2 LEU 66 QD2 LEU 66 - HA TYR 70 Upper HG2 LYS 34 - HD2 PRO 98 4.16 20 2.90 4.05 ++++++++++++++++*+++ peak 9616 HD2 PRO 98 - HB2 LYS 123 QD1 LEU 29 - HA GLN 133 HB2 LEU 39 - HA GLN 133 QG2 THR 51 - HA GLN 133 Upper HG3 LYS 34 - HD3 PRO 98 3.53 6 1.44 3.24 + + + *+ + peak 10499 HG3 ARG 49 - HD3 PRO 98 HB3 LEU 64 - HD3 PRO 98 HB2 LEU 87 - HD3 PRO 98 HD3 ARG 89 - HA ASP 137 Upper HD2 LYS 34 - HB3 PRO 57 3.85 13 2.21 4.24 + ++++ ++++ * +++ peak 10028 HD3 LYS 34 - HB3 PRO 57 HD2 LYS 34 - HB3 LYS 86 HD3 LYS 34 - HB3 LYS 86 HB2 PHE 38 - QD1 ILE 83 HB2 ASP 41 - QD1 ILE 83 HE3 LYS 76 - QD1 ILE 83 QD1 ILE 83 - HB3 TYR 119 Upper HD2 LYS 34 - H VAL 73 3.50 9 1.45 1.81 +++ + + *++ + peak 6761 HD3 LYS 34 - H VAL 73 HG LEU 39 - H VAL 73 HB3 ARG 55 - H VAL 73 HG2 PRO 57 - H VAL 73 HG LEU 72 - H VAL 73 H VAL 73 - HB3 ARG 145 Upper HB2 LYS 36 - QD1 LEU 87 4.09 19 3.05 4.75 + +++++++++++++++++* peak 9776 HB2 LYS 48 - QD1 LEU 87 HB3 LYS 48 - QD1 LEU 87 HB2 LYS 48 - QD2 LEU 87 HB3 LYS 48 - QD2 LEU 87 HB3 GLU 28 - HA GLU 37 HB3 GLU 28 - HA VAL 63 HB3 GLU 28 - HA GLU 81 Upper HB2 LYS 36 - QD2 LEU 116 4.15 20 3.67 4.91 *+++++++++++++++++++ peak 9649 HB2 LYS 48 - QD2 LEU 116 HB3 LYS 48 - QD2 LEU 116 HB3 LYS 85 - QD2 LEU 116 HB3 LYS 93 - QD2 LEU 116 QD2 LEU 116 - HB3 ARG 140 QD2 LEU 116 - HB2 ARG 144 HG3 PRO 118 - HA ALA 134 Upper HA PHE 38 - QG2 VAL 71 3.42 16 1.79 2.45 *++ + +++ +++ ++++++ peak 9705 HA LEU 64 - QG2 VAL 71 QG2 VAL 71 - HA TRP 88 QG2 VAL 71 - HA GLU 120 QG2 VAL 71 - HA CYS 121 QG2 ILE 56 - HA ASP 137 QG2 ILE 83 - HA ASP 137 QD2 LEU 97 - HA ASP 137 Upper HB2 PHE 38 - HB2 SER 44 5.13 9 1.35 2.19 + + *++ + + + + peak 8196 HB2 PHE 38 - HB3 SER 44 HB2 SER 44 - HB3 MET 46 HB2 SER 44 - HB3 GLU 120 HB3 SER 44 - HB3 GLU 120 HA LYS 36 - HB3 ARG 49 HB3 ARG 49 - HD3 PRO 98 Lower O PHE 38 - N LEU 42 2.70 8 0.18 0.54 + + + ++* ++ Lower O PHE 38 - N LEU 42 2.70 8 0.18 0.54 + + + ++* ++ Upper HA LEU 39 - QG2 VAL 80 4.30 10 1.49 2.21 ++ *+ +++ + ++ peak 9813 HA LEU 39 - QD1 LEU 97 HA LEU 39 - QG2 ILE 136 HG3 GLN 25 - HB2 SER 44 HG3 GLN 25 - HB3 SER 44 HB2 SER 44 - HG2 MET 46 HB3 SER 44 - HG2 MET 46 HB2 SER 44 - HB ILE 91 HB3 SER 44 - HB ILE 91 Upper HB3 LEU 39 - HA LEU 66 3.24 18 2.37 3.17 +++ ++ +++++++*+++++ peak 8506 HB3 LEU 39 - HA GLN 133 HA LEU 66 - QG2 VAL 71 QG2 VAL 71 - HA ALA 104 QG2 VAL 71 - HB2 SER 127 QG2 VAL 71 - HA GLN 133 Upper QD2 LEU 39 - HA PHE 43 3.11 10 1.41 2.21 ++ ++++ + + +* peak 9180 HA PHE 43 - QD2 LEU 66 HA PHE 43 - QD1 ILE 83 HA PHE 43 - HB3 LEU 116 HB2 PRO 33 - QD1 ILE 101 HB3 LYS 34 - QD1 ILE 101 HB2 GLU 37 - QD1 ILE 101 HB3 GLU 37 - QD1 ILE 101 HB2 GLU 90 - QD1 ILE 101 Upper HB3 LEU 42 - HA LEU 66 4.48 14 1.55 2.88 ++++++ * +++ ++++ peak 9444 HA LEU 66 - QD1 LEU 97 HA LEU 66 - QG2 ILE 101 HA LEU 66 - QD1 ILE 101 HA LEU 66 - QG2 ILE 136 QD PHE 106 - HG2 GLU 122 HZ PHE 106 - HG2 GLU 122 QD TYR 117 - HG2 GLU 122 Upper HG LEU 42 - HB2 ASN 84 6.06 20 3.56 5.32 +++++++++++++*++++++ peak 9456 HB2 ASN 84 - QD1 LEU 95 QD1 LEU 26 - HG3 GLU 122 HG13 ILE 56 - HG3 GLU 122 QG2 THR 107 - HG3 GLU 122 Lower O LEU 42 - N MET 46 2.70 7 0.15 0.37 +++ * + ++ Lower O LEU 42 - N MET 46 2.70 7 0.15 0.37 +++ * + ++ Lower O LEU 42 - H MET 46 1.80 6 0.13 0.33 ++ + * + + Lower O LEU 42 - H MET 46 1.80 6 0.13 0.33 ++ + * + + Upper HB2 SER 44 - HD2 LYS 76 3.21 7 0.71 1.90 +* + + + + + peak 2296 HA LYS 76 - HD2 LYS 76 HD2 LYS 76 - HA LEU 126 Upper HB3 SER 44 - HD2 LYS 76 3.31 7 0.66 1.80 +* + + + + + peak 2296 HA LYS 76 - HD2 LYS 76 HD2 LYS 76 - HA LEU 126 Upper HG2 MET 46 - QD TYR 115 3.51 11 1.63 2.57 ++*+ ++ +++++ peak 8632 HB ILE 91 - QD TYR 115 QG2 ILE 58 - HG2 GLU 75 Upper HG2 MET 46 - HG LEU 116 4.48 7 1.42 2.52 + +* + ++ + peak 8401 HG2 ARG 49 - HG2 MET 59 HG2 ARG 49 - HG3 MET 59 HG2 ARG 49 - HB ILE 91 HB ILE 91 - HG LEU 116 HG2 MET 11 - H PHE 67 HG3 GLU 28 - H PHE 67 HB3 PRO 33 - H PHE 67 H PHE 67 - HB3 GLU 131 H PHE 67 - HG3 GLU 131 Upper HG3 MET 46 - QD2 LEU 69 4.41 7 1.35 2.35 * ++ ++++ peak 9185 QD2 LEU 69 - HD3 ARG 89 QD2 LEU 69 - HB3 TYR 117 QD2 LEU 69 - HD3 ARG 124 QD2 LEU 69 - HD2 ARG 140 QD2 LEU 69 - HD3 ARG 140 HB3 ASN 96 - QG2 ILE 101 QG2 ILE 56 - HA ALA 105 QG2 ILE 101 - HA ALA 105 Upper H GLN 47 - HA VAL 53 4.97 9 1.14 1.98 ++*+ + ++++ peak 10542 HA VAL 53 - H VAL 73 HA VAL 53 - H ARG 140 HD2 LYS 24 - HG3 GLU 28 HG3 GLU 28 - HG3 LYS 34 HG3 GLU 28 - HG3 LYS 48 HG3 GLU 28 - HB2 LEU 87 Upper H GLN 47 - HA VAL 53 3.69 18 2.25 3.14 ++++++ ++++++++++*+ peak 10179 HA VAL 53 - H VAL 73 HA VAL 53 - H ARG 140 HB ILE 58 - QD1 ILE 101 HB2 LYS 85 - QD1 ILE 101 Upper HE3 LYS 48 - HB2 LYS 93 3.12 8 1.38 2.06 ++* ++ + + + peak 3102 HE2 LYS 85 - HB2 LYS 93 HE3 LYS 85 - HB2 LYS 93 HB2 LYS 93 - HE3 LYS 93 Upper HD3 ARG 49 - HA LEU 132 2.50 7 1.46 1.59 + ++ + *+ + peak 7712 HA2 GLY 78 - HA LEU 132 HE2 LYS 86 - HA LEU 132 HE3 LYS 86 - HA LEU 132 HA TYR 119 - HA LEU 132 H LEU 132 - H ALA 134 Upper HG2 ARG 55 - H ILE 83 4.15 7 1.26 1.68 ++* + ++ + peak 10715 HG3 ARG 55 - H ILE 83 HG3 LYS 76 - H ILE 83 HD2 LYS 76 - H ILE 83 HB3 LEU 79 - H ILE 83 H ILE 83 - HG2 LYS 93 HB2 PRO 33 - HG2 MET 46 HB3 LYS 34 - HG2 MET 46 HG2 MET 46 - HG2 PRO 98 Upper QG2 ILE 56 - QB ALA 135 2.58 20 2.42 2.49 +++++++++++++++++*++ peak 10319 QD1 LEU 97 - QB ALA 135 QG2 ILE 101 - QB ALA 135 QD1 ILE 101 - QB ALA 135 QB ALA 135 - QG2 ILE 136 Upper QD1 ILE 56 - HB3 PRO 57 4.55 11 1.57 2.33 + + +* ++++ + + + peak 8265 HB3 PRO 57 - QD2 LEU 79 Upper QD1 ILE 56 - HB2 LYS 61 3.80 10 1.44 3.33 + + + ++ ++ * + + peak 9085 HB2 LYS 61 - QG1 VAL 71 HB2 LYS 61 - QD1 LEU 132 HA2 GLY 50 - HA ASN 96 HB THR 92 - HA ASN 96 HA ASN 96 - HB THR 102 HA ASN 96 - HA ARG 141 Upper HB ILE 58 - QG2 ILE 101 4.63 7 1.27 2.36 + + ++ * + + peak 11037 HB ILE 58 - QD1 ILE 101 HB2 GLU 122 - QD2 LEU 132 Upper HG12 ILE 58 - HB3 ARG 109 4.05 20 3.32 5.63 ++++++*+++++++++++++ peak 10799 HG13 ILE 58 - HB3 ARG 109 HG2 LYS 61 - HB3 ARG 109 HG3 LYS 61 - HB3 ARG 109 HB3 LYS 34 - HA LEU 87 HB3 LYS 34 - HA ARG 124 Lower N MET 59 - O GLN 62 2.70 6 0.12 0.78 ++ + + *+ Lower N MET 59 - O GLN 62 2.70 6 0.12 0.78 ++ + + *+ Upper HG2 MET 59 - HG13 ILE 136 4.27 10 1.55 3.09 + ++*++++ + + peak 10640 HG3 MET 59 - HG13 ILE 136 HB ILE 91 - HD3 LYS 93 HB ILE 91 - HG13 ILE 136 HB3 PRO 118 - HG13 ILE 136 HE2 LYS 48 - QG2 ILE 91 HE3 LYS 48 - QG2 ILE 91 QG2 ILE 91 - HE2 LYS 93 QG2 ILE 91 - HE3 LYS 93 QG2 ILE 91 - HB2 TYR 115 Upper HG2 MET 59 - HG13 ILE 136 4.55 7 1.30 2.79 +++* ++ + peak 4693 HG3 MET 59 - HG13 ILE 136 HB ILE 91 - HD3 LYS 93 HB ILE 91 - HG13 ILE 136 HB3 PRO 118 - HG13 ILE 136 QD1 ILE 56 - QD TYR 70 Upper HB VAL 63 - HG LEU 64 4.61 19 2.61 3.24 ++++++++++ *++++++++ peak 8356 HB VAL 63 - HG2 LYS 76 HB VAL 63 - QG2 THR 92 Upper HB2 LEU 64 - H GLU 90 4.38 7 1.48 1.67 ++ + + +*+ peak 10074 H GLU 90 - QG2 ILE 91 Upper HG LEU 64 - QD1 ILE 91 3.05 20 2.02 2.35 *+++++++++++++++++++ peak 8979 QD1 ILE 91 - QG2 THR 92 Upper HG LEU 64 - QD1 ILE 91 3.12 19 1.77 2.02 +++++ ++++++*+++++++ peak 8979 QD1 ILE 91 - QG2 THR 92 QD1 ILE 91 - QB ALA 105 Upper HB2 LEU 66 - H GLU 81 3.07 19 1.77 2.43 +++++++++++++*+++++ peak 8799 H GLU 81 - HD2 LYS 85 H GLU 81 - HG2 ARG 109 H GLU 81 - HG3 ARG 109 H GLU 81 - HB2 LEU 126 QD2 LEU 26 - QG2 VAL 82 Upper HA MET 68 - HA VAL 71 3.33 10 1.52 2.06 + + + + ++ ++* + peak 8570 HA MET 68 - HA VAL 82 HA MET 68 - HB3 ASN 128 QG1 VAL 73 - HB3 ASN 96 QG1 VAL 73 - HA ALA 105 QG1 VAL 73 - HD2 ARG 109 QG1 VAL 73 - HD2 ARG 145 QG1 VAL 73 - HD3 ARG 145 Lower O MET 68 - N LEU 72 2.70 6 0.15 0.57 + + * +++ Lower O MET 68 - N LEU 72 2.70 6 0.15 0.57 + + * +++ Upper HB3 LEU 69 - H LEU 97 4.47 6 1.21 2.41 + + + *+ + peak 10822 HB3 LYS 93 - H LEU 97 H LEU 97 - HB ILE 101 H LEU 97 - HB3 ARG 140 H LEU 97 - HB3 ARG 141 QD PHE 23 - HB3 ASP 40 QD PHE 23 - HE2 LYS 76 QD PHE 23 - HE3 LYS 76 QD PHE 23 - HG3 MET 113 QD PHE 23 - HE2 LYS 114 QD PHE 23 - HB3 ASP 137 Upper HB2 TYR 70 - HA VAL 71 3.48 9 1.26 1.76 + ++*+ +++ + peak 8501 HA VAL 71 - HA LEU 79 HA VAL 71 - HA VAL 80 Upper QD1 LEU 72 - H ALA 105 4.22 7 1.43 1.89 + ++* + + + peak 8968 QD2 LEU 72 - H ALA 105 QG2 VAL 73 - H ALA 105 H ALA 105 - QD1 ILE 136 HG LEU 64 - HB ILE 91 HB ILE 91 - QB ALA 105 Upper QG2 THR 74 - HA2 GLY 77 3.59 9 1.37 2.66 ++ ++ * + + ++ peak 11141 HA2 GLY 77 - QD2 LEU 126 HA LEU 26 - HE3 LYS 93 HA GLU 90 - HE3 LYS 93 HE2 LYS 61 - HA LEU 132 HE3 LYS 61 - HA LEU 132 Upper HA GLU 75 - QD2 LEU 108 3.88 9 1.53 2.63 + ++ + + +++* peak 9904 QD2 LEU 108 - HA MET 113 QD2 LEU 108 - HA LYS 114 QD2 LEU 108 - HB3 SER 127 QD2 LEU 108 - HB2 SER 138 QD2 LEU 108 - HB3 SER 138 QD PHE 38 - QD1 LEU 66 Upper QD2 LEU 79 - HB ILE 83 4.29 8 1.35 2.19 * ++ + +++ + peak 10678 QD2 LEU 79 - HG LEU 95 HG2 LYS 34 - HD2 ARG 124 HD3 LYS 114 - HD2 ARG 124 Upper QG1 VAL 80 - HG3 GLU 81 4.68 7 1.31 1.82 + * +++ + + peak 9969 HG3 GLU 81 - QD2 LEU 126 Upper QG2 VAL 82 - HA LEU 87 3.09 19 2.14 2.40 +++++++++++* +++++++ peak 8799 HA LEU 87 - HG2 LYS 114 QD2 LEU 26 - QG2 VAL 82 Upper QG2 ILE 83 - H TRP 88 4.35 6 1.00 1.82 + +*+ + + peak 11208 QG2 ILE 83 - H ILE 91 QG2 ILE 83 - H LEU 95 HB3 TYR 27 - HA LYS 36 Upper HB3 ASN 84 - HB2 SER 138 4.17 15 1.79 2.59 +++++++ ++++ + +*+ peak 8078 HB3 ASN 84 - HB3 SER 138 HE2 LYS 114 - HB2 SER 138 HE2 LYS 114 - HB3 SER 138 HB3 TYR 119 - HB2 SER 138 HB3 TYR 119 - HB3 SER 138 H ASP 30 - HA MET 68 H ASP 30 - HA LEU 72 H ASP 30 - HA ALA 104 H ASP 30 - HA GLN 133 Upper HA LEU 87 - HB2 LYS 114 2.48 7 1.16 1.87 ++ *+ + + + peak 10906 HA GLN 111 - HB2 LYS 114 HB2 LYS 114 - HA ASN 139 HG2 LYS 24 - HG2 LYS 36 HG2 LYS 24 - HG3 LYS 93 HG2 LYS 24 - HD2 LYS 114 Upper HA LEU 87 - HD3 LYS 114 5.34 18 2.32 2.68 +++++*+++++++ ++++ + peak 10478 HD3 LYS 114 - HA ASN 139 H GLN 62 - H ASP 137 H SER 100 - H ASP 137 H LEU 132 - H ASP 137 Lower O TRP 88 - H THR 92 1.80 7 0.12 0.40 + ++* + + + Lower O TRP 88 - H THR 92 1.80 7 0.12 0.40 + ++* + + + Upper HA ASN 96 - QD2 LEU 97 3.79 7 1.01 2.50 * ++++ + + peak 11427 Lower O SER 103 - N THR 107 2.70 7 0.11 0.39 + + * +++ + Lower O SER 103 - N THR 107 2.70 7 0.11 0.39 + + * +++ + Upper HA THR 107 - HA ASN 139 3.60 20 1.90 2.16 +++++++++++++++*++++ peak 8326 HA ILE 136 - HA ASN 139 HB3 PRO 52 - QB ALA 60 HG2 PRO 52 - QB ALA 60 QB ALA 60 - HG13 ILE 83 QB ALA 60 - HB3 LEU 132 QB ALA 60 - HB ILE 136 Lower O THR 107 - N GLN 111 2.70 6 0.13 0.41 ++ + +*+ Lower O THR 107 - N GLN 111 2.70 6 0.13 0.41 ++ + +*+ VdW HB3 MET 11 - CE MET 11 2.60 7 0.18 0.54 + + + ++ * + VdW HB3 MET 11 - HE3 MET 11 2.00 6 0.10 0.44 + + + * ++ VdW HB2 PRO 12 - H ASP 13 1.95 6 0.12 0.46 + + + + *+ VdW O PRO 12 - CB ASP 13 2.90 7 0.15 0.58 + * + + ++ + VdW C PHE 23 - H GLN 25 2.45 7 0.16 0.61 ++ *+ + + + VdW C LYS 24 - N LEU 26 2.95 6 0.10 0.52 + + * + ++ VdW O LYS 24 - C GLN 25 2.80 11 0.23 0.48 + + ++++ * +++ + VdW O LYS 24 - O GLN 25 2.60 6 0.22 0.96 ++* + + + VdW O LYS 24 - N LEU 26 2.75 6 0.25 0.95 + + + + +* VdW O LYS 24 - CD1 LEU 29 2.90 8 0.18 0.72 ++ * + + ++ + VdW CG GLN 25 - N LEU 26 3.05 7 0.24 0.84 * + +++ ++ VdW CG GLN 25 - H LEU 26 2.55 8 0.26 1.05 + + + +++ * + VdW HG2 GLN 25 - H LEU 26 1.95 6 0.17 0.85 + + +++ * VdW O GLN 25 - C LEU 26 2.80 6 0.11 0.48 + * ++++ VdW O GLN 25 - N GLU 28 2.75 6 0.14 0.82 + + + + +* VdW O GLN 25 - H GLU 28 1.80 6 0.12 0.74 + + + + +* VdW O GLN 25 - CB ASP 65 2.90 6 0.18 0.79 + + * ++ + VdW N LEU 26 - CD2 LEU 26 3.05 8 0.16 0.77 + + + + *++ + VdW HA LEU 26 - CD2 LEU 29 2.60 7 0.17 0.70 + + +* +++ VdW HA LEU 26 - HD22 LEU 29 2.00 6 0.11 0.54 + + ++ *+ VdW HB2 LEU 26 - HA ARG 35 2.00 6 0.10 0.49 ++ +* ++ VdW CD2 LEU 26 - N LEU 66 3.05 6 0.13 0.90 + * ++ ++ VdW CD2 LEU 26 - H LEU 66 2.55 7 0.17 0.67 + + + +* + + VdW N LEU 29 - CD2 LEU 29 3.05 9 0.23 0.75 ++++ * + + + + VdW H LEU 29 - CD2 LEU 29 2.55 8 0.23 0.72 +++ + * + + + VdW H LEU 29 - HD21 LEU 29 1.95 7 0.12 0.48 + ++ * + + + VdW CD1 LEU 29 - HB2 MET 68 2.60 6 0.15 0.73 + + + * + + VdW CD2 LEU 29 - N ASP 30 3.05 7 0.14 0.45 + ++ ++ *+ VdW CD2 LEU 29 - H ASP 30 2.55 7 0.21 0.75 * + ++ + ++ VdW C PRO 33 - N ARG 35 2.95 6 0.11 0.40 ++ +++ * VdW O PRO 33 - N ARG 35 2.75 7 0.14 0.56 +*+ +++ + VdW N LYS 34 - HG3 LYS 34 2.45 11 0.20 0.38 ++ ++ ++*+ + ++ VdW H LYS 34 - HG3 LYS 34 1.95 10 0.22 0.47 +++ + ++++ + * VdW O LYS 34 - N PHE 38 2.75 7 0.12 0.40 + + + *+ ++ VdW O LYS 34 - CB PHE 38 2.90 8 0.15 0.51 ++++ + ++ * VdW O LYS 34 - HB3 PHE 38 2.30 9 0.19 0.61 + +++ + +* + + VdW O ARG 35 - CG LEU 39 2.90 8 0.23 0.66 ++ ++++ + * VdW O ARG 35 - HG LEU 39 2.30 14 0.31 0.72 + ++ ++++ *+ ++ +++ VdW O LYS 36 - CB ASP 40 2.90 14 0.31 0.69 +++++ +++ + +++*+ VdW O LYS 36 - HB2 ASP 40 2.30 14 0.33 0.75 +++++ +++++ ++*+ VdW O PHE 38 - C LEU 39 2.80 6 0.10 0.41 + + +*+ + VdW O PHE 38 - N LEU 42 2.75 8 0.20 0.59 + + + ++* ++ VdW O PHE 38 - CB LEU 42 2.90 9 0.23 0.85 ++*++ ++ ++ VdW O PHE 38 - HB2 LEU 42 2.30 9 0.26 0.84 ++++* + + ++ VdW O LEU 39 - CD1 PHE 43 2.90 6 0.13 0.44 ++ + +* + VdW CA LEU 42 - CD1 LEU 42 3.00 6 0.13 0.26 + + + + * + VdW HA LEU 42 - CD1 LEU 42 2.60 8 0.18 0.50 + ++ + +++* VdW HG LEU 42 - O TYR 115 2.30 9 0.18 0.56 +++ + +* + + + VdW O LEU 42 - C PHE 43 2.80 9 0.19 0.31 + + + + + +++ * VdW O LEU 42 - N MET 46 2.75 10 0.19 0.42 ++++ ++* + ++ VdW O LEU 42 - H MET 46 1.80 6 0.13 0.33 ++ + * + + VdW CD2 PHE 43 - CG2 VAL 53 3.20 6 0.10 0.41 * ++ + + + VdW O PHE 43 - HG3 MET 46 2.30 7 0.12 0.42 +++ * + ++ VdW CD2 PHE 45 - C PHE 45 3.10 14 0.27 0.61 ++++++++* +++ + + VdW CD2 PHE 45 - O PHE 45 2.90 9 0.17 0.46 + ++ +++ ++ * VdW SD MET 46 - C MET 46 3.30 7 0.15 0.63 ++* + + ++ VdW SD MET 46 - N GLN 47 3.25 7 0.15 0.58 ++ + + + +* VdW SD MET 46 - O THR 51 3.10 7 0.28 1.21 *+++ + + + VdW SD MET 46 - CG2 VAL 53 3.40 6 0.14 0.69 ++ + +*+ VdW SD MET 46 - HG22 VAL 53 2.80 6 0.12 0.54 ++ * + + + VdW SD MET 46 - O LYS 114 3.10 6 0.15 0.58 ++ ++ + * VdW CE MET 46 - O THR 51 2.90 6 0.17 0.75 ++ + * + + VdW CE MET 46 - O LYS 114 2.90 9 0.19 0.53 +++ +++ * + + VdW CE MET 46 - HA TYR 115 2.60 6 0.11 0.52 + + + + + * VdW HA GLN 47 - HA PRO 52 2.00 6 0.14 0.60 + + + +*+ VdW CB GLN 47 - HB3 PRO 52 2.60 9 0.21 0.58 + + + + ++* ++ VdW HB2 GLN 47 - CB PRO 52 2.60 7 0.13 0.35 +++ + + * + VdW HB2 GLN 47 - HB3 PRO 52 2.00 11 0.25 0.58 +++*++ + + + + + VdW CG GLN 47 - C GLN 47 2.90 7 0.14 0.24 + + * + +++ VdW C ARG 49 - H THR 51 2.45 10 0.18 0.47 + + + ++ ++ * ++ VdW OG1 THR 51 - HA LYS 114 2.30 7 0.12 0.35 +* + + + + + VdW CG1 VAL 53 - CG TYR 115 3.20 6 0.10 0.38 + + *+ ++ VdW HA ILE 56 - CD PRO 57 2.60 14 0.21 0.30 +++++ ++ ++ ++*+ + VdW CG2 ILE 56 - CD1 ILE 56 3.00 17 0.26 0.33 + ++++ +++++ ++*++++ VdW CG2 ILE 56 - C ILE 56 2.90 7 0.11 0.32 + + ++*+ + VdW CG2 ILE 56 - HD2 PRO 57 2.60 14 0.29 0.81 + + ++*++++++ +++ VdW CG2 ILE 56 - CG2 VAL 63 3.20 7 0.13 0.48 + + ++ + +* VdW HG22 ILE 56 - HD2 PRO 57 2.00 7 0.18 0.73 + +++ + * + VdW CD1 ILE 56 - HG LEU 66 2.60 6 0.17 0.70 + ++ ++ * VdW HG2 PRO 57 - CD2 LEU 64 2.60 10 0.16 0.54 * + +++ + ++++ VdW HG3 PRO 57 - CG GLN 111 2.60 7 0.16 0.45 * + + + + + + VdW HD3 PRO 57 - HE2 TYR 115 2.00 6 0.11 0.43 +++ +* + VdW O PRO 57 - N MET 59 2.75 6 0.14 0.42 *+ ++ ++ VdW HA ILE 58 - HA VAL 63 2.00 13 0.27 0.57 + ++++*++ ++ ++ + VdW N MET 59 - O GLN 62 2.75 6 0.15 0.83 ++ + + *+ VdW HA MET 59 - SD MET 59 2.80 8 0.16 0.63 + +++ + * ++ VdW HB3 MET 59 - CD PRO 98 2.60 7 0.16 0.59 + * + + + ++ VdW CG MET 59 - HB2 LEU 64 2.60 7 0.16 0.62 ++ * ++++ VdW HG2 MET 59 - HB2 LEU 64 2.00 6 0.11 0.43 + + ++ * + VdW C MET 59 - HD3 PRO 98 2.50 6 0.16 0.69 * + + ++ + VdW O MET 59 - CG GLN 62 2.90 6 0.09 0.37 + * ++ + + VdW C ALA 60 - H GLN 62 2.45 12 0.30 0.65 + +++ ++ + *+ +++ VdW O ALA 60 - CG LYS 61 2.90 6 0.14 0.61 + + + ++ * VdW N LYS 61 - CD LYS 61 3.05 7 0.13 0.36 + + + +*++ VdW CG2 VAL 63 - C VAL 63 2.90 8 0.17 0.33 * ++ + + +++ VdW CG LEU 64 - O LEU 64 2.90 14 0.27 0.50 + ++++ ++ + + *++++ VdW HG LEU 64 - C LEU 64 2.50 14 0.22 0.38 + + ++++++ ++*+ ++ VdW HG LEU 64 - O LEU 64 2.30 12 0.29 0.64 + ++ * ++ ++++ ++ VdW O LEU 64 - C ASP 65 2.80 9 0.17 0.43 +++ + + + * ++ VdW N ASP 65 - OD1 ASP 65 2.75 6 0.10 0.42 + * ++ + + VdW HA LEU 66 - CD2 LEU 66 2.60 10 0.16 0.40 * ++ + +++ + + + VdW O LEU 66 - C PHE 67 2.80 11 0.19 0.45 + + ++ * +++++ + VdW O PHE 67 - CG2 VAL 71 2.90 8 0.20 0.59 + * +++++ + VdW CA MET 68 - SD MET 68 3.20 7 0.12 0.36 +* + + ++ + VdW CA MET 68 - CE MET 68 3.20 8 0.15 0.47 + + + ++ +* + VdW HA MET 68 - SD MET 68 2.80 9 0.18 0.51 ++ ++ + + ++ * VdW HA MET 68 - CE MET 68 2.60 15 0.38 0.89 ++++++ ++ +++ +*+ + VdW HA MET 68 - HE3 MET 68 2.00 7 0.10 0.33 + + + *++ + VdW O MET 68 - N LEU 72 2.75 8 0.19 0.62 + + + + * +++ VdW HA LEU 69 - CG2 ILE 91 2.60 7 0.17 0.59 *++ + + ++ VdW CD1 LEU 69 - C LEU 69 3.10 8 0.20 0.69 * + + + ++ ++ VdW CD2 LEU 69 - CB TYR 112 3.20 6 0.10 0.32 + + *+ ++ VdW CD2 LEU 69 - HB2 TYR 112 2.60 10 0.20 0.61 + ++++ + ++ +* VdW O LEU 69 - CG2 VAL 73 2.90 9 0.26 0.74 + + +++ ++ +* VdW O LEU 69 - HG21 VAL 73 2.30 6 0.12 0.61 ++ ++ + * VdW O LEU 69 - CG2 ILE 91 2.90 7 0.11 0.39 + + + *++ + VdW HA TYR 70 - CE1 TYR 112 2.60 6 0.13 0.56 + + + + + * VdW HA TYR 70 - CZ TYR 112 2.60 8 0.17 0.64 * ++ ++ + ++ VdW HA TYR 70 - CE2 TYR 112 2.60 6 0.13 0.50 + + + + * + VdW CG TYR 70 - C TYR 70 2.90 6 0.12 0.24 + + ++* + VdW CD2 TYR 70 - C TYR 70 3.10 6 0.11 0.44 + * + ++ + VdW O TYR 70 - CG2 THR 74 2.90 9 0.26 0.83 +* + + + + + + + VdW O VAL 71 - HG2 GLU 75 2.30 6 0.16 0.50 + ++ + * + VdW N LEU 72 - CD1 LEU 72 3.05 7 0.14 0.51 ++ + + + * + VdW CA LEU 72 - CD1 LEU 72 3.00 8 0.13 0.27 ++++ * + + + VdW CA LEU 72 - CG GLU 75 3.20 12 0.20 0.31 +++ +++ * ++ +++ VdW HA LEU 72 - CG GLU 75 2.60 17 0.42 0.59 +++ +++ *+ +++++++++ VdW HA LEU 72 - HG2 GLU 75 2.00 6 0.15 0.82 + + + + *+ VdW HA LEU 72 - HG3 GLU 75 2.00 13 0.25 0.51 + + ++++ ++*++++ VdW CB LEU 72 - HA ILE 91 2.60 8 0.22 0.61 ++++ + *+ + VdW HB2 LEU 72 - CG2 ILE 91 2.60 11 0.25 0.72 +++ + + +* + ++ + VdW HB2 LEU 72 - HG21 ILE 91 2.00 7 0.12 0.43 + +* + ++ + VdW HB3 LEU 72 - HA ILE 91 2.00 6 0.12 0.60 + + ++*+ VdW CD2 LEU 72 - O ILE 91 2.90 7 0.15 0.62 *++ + + ++ VdW O LEU 72 - CG GLU 75 2.90 7 0.14 0.33 ++ + +*+ + VdW O LEU 72 - CG LYS 76 2.90 9 0.18 0.60 + +++* + +++ VdW O LEU 72 - HG2 LYS 76 2.30 9 0.21 0.74 + + ++ + + + +* VdW HA VAL 73 - CG2 VAL 82 2.60 15 0.32 0.61 ++++* +++++++ + ++ VdW HA VAL 73 - HG23 VAL 82 2.00 8 0.21 0.77 ++ * ++ +++ VdW CG1 VAL 73 - C VAL 73 2.90 6 0.11 0.32 * + + +++ VdW CG1 VAL 73 - CA LEU 79 3.20 17 0.35 0.54 ++++ ++++++++ ++++ * VdW CG1 VAL 73 - HA LEU 79 2.60 20 0.65 0.80 ++++++++*+++++++++++ VdW CG1 VAL 73 - HB VAL 82 2.60 6 0.15 0.59 * ++ ++ + VdW HG11 VAL 73 - CA LEU 79 2.60 7 0.15 0.74 ++ + + ++ * VdW HG11 VAL 73 - HA LEU 79 2.00 12 0.31 0.86 ++ + + + + ++++*+ VdW HG12 VAL 73 - CA LEU 79 2.60 7 0.12 0.60 + + ++ +* + VdW HG12 VAL 73 - HA LEU 79 2.00 11 0.20 0.79 ++ + ++ ++ ++ + * VdW HG13 VAL 73 - HA LEU 79 2.00 8 0.18 0.63 + *+ + +++ + VdW CG2 VAL 73 - CZ3 TRP 88 3.20 14 0.30 0.53 +++++*++ +++ +++ VdW CG2 VAL 73 - HZ3 TRP 88 2.60 12 0.18 0.36 +++* ++ ++++ ++ VdW O VAL 73 - CD LYS 76 2.90 7 0.21 0.74 ++ + + *+ + VdW O VAL 73 - HD2 LYS 76 2.30 7 0.14 0.49 +* + + + + + VdW H THR 74 - CG2 THR 74 2.55 9 0.16 0.41 +++ + + + + + * VdW HA THR 74 - CA GLY 78 2.60 7 0.17 0.72 + * + + + + + VdW HA THR 74 - HA2 GLY 78 2.00 8 0.16 0.51 ++ + + +++ * VdW N GLU 75 - CG GLU 75 2.85 6 0.12 0.20 + + * +++ VdW N GLU 75 - HG2 GLU 75 2.45 13 0.26 0.45 * + ++++ +++++++ VdW H GLU 75 - CG GLU 75 2.55 12 0.25 0.41 + + + ++ *++++++ VdW H GLU 75 - HG2 GLU 75 1.95 14 0.42 0.72 +* + ++++ +++++++ VdW H LYS 76 - HG2 LYS 76 1.95 7 0.11 0.35 + + ++ * + + VdW HG3 LYS 76 - CG2 VAL 82 2.60 7 0.17 0.61 + + + + * ++ VdW CD LYS 76 - CG2 VAL 82 3.20 8 0.13 0.47 ++ + + + * + + VdW CD LYS 76 - HG22 VAL 82 2.60 6 0.09 0.42 ++ + + + * VdW CE LYS 76 - CG2 VAL 82 3.20 9 0.22 0.88 ++ + + + + *+ + VdW CE LYS 76 - CG LEU 87 3.20 6 0.15 0.64 * + + + ++ VdW CE LYS 76 - HG LEU 87 2.60 7 0.21 1.04 * + + ++ ++ VdW H GLY 77 - H GLY 78 1.90 12 0.22 0.33 +++ ++ +*++ ++ + VdW HA3 GLY 77 - CD GLU 81 2.50 9 0.16 0.46 ++++ *++ + + VdW HA2 GLY 78 - CB LEU 126 2.60 6 0.12 0.54 + ++ *+ + VdW O GLY 78 - HB3 GLU 81 2.30 13 0.26 0.57 +* ++++++ +++ ++ VdW H LEU 79 - CD1 LEU 126 2.55 6 0.12 0.38 ++ + ++ * VdW CA LEU 79 - CD1 LEU 79 3.00 6 0.14 0.26 + + + * + + VdW CD1 LEU 79 - C LEU 79 3.10 12 0.28 0.78 ++ + + +++ *++ + + VdW CD1 LEU 79 - CD1 ILE 83 3.20 8 0.14 0.41 + +*+++ ++ VdW CD2 LEU 79 - CE1 TYR 112 3.20 6 0.12 0.56 + * + +++ VdW CD2 LEU 79 - CD2 LEU 132 3.20 13 0.24 0.50 +++ * + ++ ++ + +++ VdW CD2 LEU 79 - HD21 LEU 132 2.60 6 0.12 0.50 *+ + + ++ VdW CD2 LEU 79 - HD22 LEU 132 2.60 7 0.14 0.48 ++ + * + ++ VdW O LEU 79 - CD1 ILE 83 2.90 7 0.15 0.62 + + * +++ + VdW CG2 VAL 80 - CA LEU 132 3.20 12 0.21 0.32 *++ ++++ + ++++ VdW CG2 VAL 80 - HA LEU 132 2.60 17 0.35 0.53 ++ *++ +++++++++++ + VdW HG3 GLU 81 - C GLU 81 2.50 6 0.13 0.47 + + + + + * VdW O GLU 81 - CG LYS 85 2.90 15 0.33 0.73 + +++++ ++++++++* VdW O GLU 81 - HG2 LYS 85 2.30 8 0.24 0.80 * + +++ ++ + VdW O GLU 81 - HG3 LYS 85 2.30 10 0.25 0.68 + + +*+ + + +++ VdW HA VAL 82 - CD1 LEU 87 2.60 7 0.18 0.76 * + +++ ++ VdW CG1 VAL 82 - CD2 LEU 87 3.20 8 0.16 0.47 ++ +++ + +* VdW CG1 VAL 82 - CD2 TRP 88 3.20 11 0.24 0.58 ++++ +++ + +*+ VdW HG12 VAL 82 - CE2 TRP 88 2.60 6 0.11 0.43 + + + * ++ VdW CG2 VAL 82 - CD2 LEU 87 3.20 7 0.15 0.55 + *+ + + ++ VdW O VAL 82 - N LYS 86 2.75 20 0.42 0.80 +++++++++++++++++++* VdW O VAL 82 - H LYS 86 1.80 8 0.17 0.55 + + +++*+ + VdW H ILE 83 - CD1 ILE 83 2.55 6 0.12 0.45 + + ++ * + VdW CD1 ILE 83 - CZ2 TRP 88 3.20 6 0.10 0.40 + * ++ + + VdW CD1 ILE 83 - HZ2 TRP 88 2.60 6 0.13 0.38 + + + * + + VdW O ILE 83 - CD LYS 86 2.90 9 0.17 0.52 ++ ++++++ * VdW N LYS 85 - CG LYS 85 2.85 6 0.15 0.21 ++ + + + * VdW N LYS 85 - HG2 LYS 85 2.45 7 0.15 0.45 + + + + + *+ VdW HD3 LYS 85 - CD1 LEU 87 2.60 7 0.13 0.45 + + ++ + + * VdW N LYS 86 - CD LYS 86 3.05 12 0.20 0.44 ++ *+++++++ + + VdW C LYS 86 - N TRP 88 2.95 7 0.15 0.50 +*+ +++ + VdW C LYS 86 - H TRP 88 2.45 15 0.31 0.71 ++++ +*+ ++++ + +++ VdW O LYS 86 - N TRP 88 2.75 6 0.13 0.78 +*+ ++ + VdW CA LEU 87 - CD2 LEU 87 3.00 9 0.15 0.26 ++ + + ++ ++* VdW CD2 LEU 87 - C LEU 87 3.10 12 0.34 0.78 + ++ *++ ++++++ VdW HD23 LEU 87 - C LEU 87 2.50 7 0.16 0.72 ++ + ++* + VdW O LEU 87 - C TRP 88 2.80 14 0.24 0.34 + + *++++++ ++ +++ VdW O LEU 87 - N ARG 89 2.75 6 0.15 0.38 * + + +++ VdW HA TRP 88 - CG1 ILE 91 2.60 6 0.11 0.44 + + + + *+ VdW HA TRP 88 - HG12 ILE 91 2.00 8 0.15 0.42 *+ + + ++ ++ VdW CB TRP 88 - HA ALA 105 2.60 11 0.19 0.45 * + + + + + +++++ VdW CD1 TRP 88 - O ALA 105 2.90 10 0.20 0.52 + * + ++ ++ + ++ VdW CD2 TRP 88 - CD2 LEU 108 3.20 6 0.11 0.35 + * ++ ++ VdW CE3 TRP 88 - CB LEU 108 3.20 7 0.16 0.60 *++ +++ + VdW CE3 TRP 88 - HB3 LEU 108 2.60 6 0.14 0.64 *++ +++ VdW CZ3 TRP 88 - HB2 LEU 108 2.60 7 0.12 0.50 + + +++ +* VdW CZ2 TRP 88 - CA ARG 109 3.20 9 0.20 0.50 +* + + + ++ ++ VdW CZ2 TRP 88 - HA ARG 109 2.60 11 0.34 0.81 ++ + + + ++ ++ *+ VdW HZ2 TRP 88 - HA ARG 109 2.00 11 0.21 0.66 ++ + + ++ ++ ++ * VdW O TRP 88 - C ARG 89 2.80 11 0.23 0.45 + + ++++* ++ ++ VdW O TRP 88 - N ILE 91 2.75 13 0.28 0.55 ++ ++*+++ +++ ++ VdW O TRP 88 - N THR 92 2.75 8 0.13 0.43 + *+++ + + + VdW O TRP 88 - H THR 92 1.80 7 0.12 0.40 + ++* + + + VdW H GLU 90 - CG GLU 90 2.55 8 0.17 0.39 + +*+++ + + VdW N ILE 91 - CD1 ILE 91 3.05 6 0.14 0.52 + + + + * + VdW H ILE 91 - HG12 ILE 91 1.95 6 0.14 0.43 + *+ ++ + VdW O ILE 91 - HB3 LEU 95 2.30 6 0.17 0.77 + + ++ * + VdW CA THR 92 - CD1 LEU 97 3.20 10 0.21 0.60 +++ + *+ ++++ VdW CA THR 92 - HD12 LEU 97 2.60 7 0.14 0.66 + ++ +* ++ VdW HA THR 92 - CD1 LEU 97 2.60 7 0.19 0.77 +* + + + ++ VdW CB THR 92 - CD1 LEU 97 3.20 15 0.32 0.62 +++ + + ++ +*++++++ VdW CB THR 92 - HD12 LEU 97 2.60 6 0.11 0.48 + + ++ *+ VdW CB THR 92 - HD13 LEU 97 2.60 6 0.11 0.42 * + ++ + + VdW HB THR 92 - CD1 LEU 97 2.60 13 0.33 0.75 +++ + + ++ *+++++ VdW HB THR 92 - CD2 LEU 97 2.60 12 0.27 0.81 +++ ++ *+++ +++ VdW CG2 THR 92 - CD1 LEU 108 3.20 6 0.14 0.50 + *++ ++ VdW C THR 92 - O LEU 97 2.80 6 0.11 0.51 + + ++*+ VdW O THR 92 - N ASN 96 2.75 15 0.37 0.75 +++++++++++ ++ *+ VdW O THR 92 - H ASN 96 1.80 10 0.23 0.71 ++ + ++++ ++ * VdW CG LYS 93 - C LYS 93 2.90 8 0.13 0.24 ++ + + * + + + VdW CG LYS 93 - N GLY 94 3.05 6 0.13 0.50 + + + + * + VdW N LEU 95 - CD2 LEU 95 3.05 6 0.10 0.53 ++ * + ++ VdW CD1 LEU 95 - CD1 LEU 97 3.20 7 0.13 0.42 *+ +++ ++ VdW CD2 LEU 95 - C LEU 95 3.10 6 0.24 1.06 + + ++ * + VdW O LEU 95 - CB ASN 96 2.90 10 0.21 0.59 + ++ + ++ ++ +* VdW O ASN 96 - O LEU 97 2.60 8 0.17 0.79 +++ + *++ + VdW CB LEU 97 - CD PRO 98 3.20 12 0.27 0.78 +++ ++ ++++ +*+ VdW CB LEU 97 - HD2 PRO 98 2.60 13 0.33 0.85 +++ ++ +++++ +*+ VdW HB2 LEU 97 - CD PRO 98 2.60 12 0.35 0.92 +*+ ++ ++++ +++ VdW HB2 LEU 97 - HD2 PRO 98 2.00 13 0.52 1.12 +*+ ++ +++++ +++ VdW CD2 LEU 97 - C LEU 97 3.10 12 0.31 0.71 +++ * +++ +++++ VdW HD22 LEU 97 - C LEU 97 2.50 6 0.12 0.52 ++ ++ + * VdW HB2 PRO 98 - CG2 ILE 101 2.60 6 0.17 0.66 + + + ++ * VdW HG2 PRO 98 - CG1 ILE 101 2.60 9 0.21 0.64 + + + + +++ * + VdW HG2 PRO 98 - CD1 ILE 101 2.60 8 0.18 0.49 + + +++*++ VdW C PRO 98 - N SER 100 2.95 10 0.17 0.33 +++++ +* + + + VdW C PRO 98 - H SER 100 2.45 11 0.22 0.52 + *+ ++ ++ ++++ VdW O PRO 98 - N SER 100 2.75 9 0.23 0.71 ++++ * + ++ + VdW O PRO 98 - N ILE 101 2.75 6 0.13 0.56 +++* + + VdW CG2 THR 99 - C THR 99 2.90 9 0.13 0.30 +++ + ++ * ++ VdW CG2 ILE 101 - C ILE 101 2.90 6 0.09 0.33 + + * ++ + VdW O SER 103 - N THR 107 2.75 8 0.14 0.44 + + * +++ ++ VdW O ALA 104 - N THR 107 2.75 7 0.13 0.38 ++ *+ + + + VdW O ALA 104 - CD1 LEU 108 2.90 18 0.35 0.57 +++++*+++ +++++++++ VdW O ALA 104 - CD2 LEU 108 2.90 9 0.17 0.51 +++ ++ + + +* VdW C ALA 105 - CD2 LEU 108 3.10 8 0.13 0.38 +++ + * ++ + VdW O ALA 105 - CD2 LEU 108 2.90 6 0.10 0.37 + + * ++ + VdW CG2 THR 107 - C THR 107 2.90 16 0.24 0.32 +++ +++ ++ ++++++* + VdW CG2 THR 107 - N LEU 108 3.05 9 0.18 0.53 + ++ * +++ + + VdW HG23 THR 107 - C THR 107 2.50 7 0.14 0.54 + + *+ + + + VdW O THR 107 - N GLN 111 2.75 9 0.17 0.46 ++ + +++*+ + VdW O THR 107 - HB2 GLN 111 2.30 7 0.12 0.43 + + + + +*+ VdW N LEU 108 - CD2 LEU 108 3.05 11 0.22 0.52 +++ ++ ++++ *+ VdW H LEU 108 - CD1 LEU 108 2.55 8 0.16 0.49 +++ *+++ + VdW H LEU 108 - CD2 LEU 108 2.55 6 0.12 0.42 + +++ +* VdW CD2 LEU 108 - H ARG 109 2.55 8 0.16 0.51 + + ++ + +* + VdW O LEU 108 - CB TYR 112 2.90 13 0.26 0.54 *+ + ++ ++ +++++ + VdW O LEU 108 - HB3 TYR 112 2.30 7 0.20 0.69 ++ ++ +* + VdW CG ARG 109 - C ARG 109 2.90 6 0.14 0.24 + + + + * + VdW HG3 ARG 109 - N THR 110 2.45 10 0.17 0.49 +* + ++ + ++ ++ VdW O ARG 109 - CG MET 113 2.90 11 0.20 0.48 ++ +* ++ + + +++ VdW O ARG 109 - HG2 MET 113 2.30 7 0.15 0.83 ++ * + + ++ VdW O ARG 109 - SD MET 113 3.10 9 0.31 1.08 + + + + ++ + +* VdW CG2 THR 110 - C THR 110 2.90 18 0.27 0.32 ++ +++*+ +++++++++++ VdW O THR 110 - N LYS 114 2.75 6 0.12 0.37 + + + * ++ VdW O THR 110 - HB2 LYS 114 2.30 8 0.19 0.84 + + + + + + + * VdW O THR 110 - HD2 LYS 114 2.30 9 0.22 0.76 + + ++ +*+ + + VdW O GLN 111 - CG TYR 115 2.90 6 0.13 0.59 + + * + + + VdW CD1 TYR 112 - C TYR 112 3.10 7 0.17 0.63 + + + ++ + * VdW HD1 TYR 112 - C TYR 112 2.50 6 0.17 0.85 + + ++ + * VdW CE1 TYR 112 - HB2 LEU 116 2.60 6 0.10 0.60 + + + +* + VdW HD2 TYR 112 - O TYR 112 2.30 6 0.14 0.79 + ++ * + + VdW O TYR 112 - N LEU 116 2.75 15 0.29 0.55 ++++ + + ++++++ *++ VdW O TYR 112 - HB2 LEU 116 2.30 6 0.10 0.50 + + + *++ VdW HA MET 113 - CA TYR 117 2.60 11 0.21 0.52 ++ + + ++* ++ + + VdW HA MET 113 - HA TYR 117 2.00 7 0.17 0.66 + + + + + *+ VdW O MET 113 - N TYR 117 2.75 6 0.14 0.62 * + + + + + VdW O MET 113 - CB TYR 117 2.90 8 0.15 0.46 ++ + ++ + +* VdW O MET 113 - HB2 TYR 117 2.30 6 0.13 0.62 + +*++ + VdW C LYS 114 - HD1 TYR 115 2.50 7 0.16 0.72 ++ +*+ + + VdW C LYS 114 - HD2 TYR 115 2.50 6 0.17 0.83 + + * +++ VdW N TYR 115 - CD1 TYR 115 3.05 8 0.22 0.65 ++ ++++ + * VdW N TYR 115 - HD1 TYR 115 2.45 7 0.25 0.84 ++ ++* + + VdW N TYR 115 - CD2 TYR 115 3.05 7 0.18 0.61 + * + + +++ VdW N TYR 115 - HD2 TYR 115 2.45 6 0.21 0.78 + * + +++ VdW N LEU 116 - HG LEU 116 2.45 6 0.10 0.31 ++ + *+ + VdW O LEU 116 - C TYR 117 2.80 7 0.13 0.47 + + + + +* + VdW CB TYR 117 - CD PRO 118 3.20 19 0.78 1.00 ++++++++++++++*++++ VdW CB TYR 117 - HD2 PRO 118 2.60 17 0.55 0.90 +++++++* ++ +++++++ VdW CB TYR 117 - HD3 PRO 118 2.60 14 0.33 0.55 + +++*++++++ + ++ VdW HB3 TYR 117 - CD PRO 118 2.60 15 0.73 1.29 ++++++++++++ * ++ VdW HB3 TYR 117 - HD2 PRO 118 2.00 14 0.65 1.28 ++++++++ +++ * ++ VdW HB3 TYR 117 - HD3 PRO 118 2.00 10 0.24 0.78 + + +++ +++ + * VdW CG TYR 117 - CD PRO 118 3.20 18 0.52 0.93 +++++++++ ++++++ +*+ VdW CG TYR 117 - HD2 PRO 118 2.60 7 0.21 1.17 + + + ++ + * VdW CG TYR 117 - HD3 PRO 118 2.60 15 0.51 1.10 ++++++++++++ + * + VdW CD1 TYR 117 - CD PRO 118 3.20 7 0.18 0.74 ++ + + * ++ VdW CD1 TYR 117 - HD3 PRO 118 2.60 11 0.26 0.68 *+ ++ +++ + ++ + VdW CD2 TYR 117 - CD PRO 118 3.20 6 0.17 0.75 + + + + * + VdW OH TYR 117 - CB GLN 133 2.90 6 0.11 0.32 +*+ + ++ VdW HG2 GLU 120 - C GLU 120 2.50 6 0.14 0.48 + + + + + * VdW O GLU 120 - N ARG 124 2.75 15 0.32 0.61 *+++ ++ ++++++ +++ VdW O GLU 120 - CB ARG 124 2.90 9 0.20 0.61 + ++ + * ++++ VdW O GLU 120 - N GLY 125 2.75 11 0.26 0.70 + +++ + * +++ + + VdW N LYS 123 - CD LYS 123 3.05 8 0.17 0.54 + + +++* + + VdW N LYS 123 - HD3 LYS 123 2.45 6 0.10 0.36 + *+ + + + VdW CA LYS 123 - CD LYS 123 3.00 6 0.14 0.31 * + + + ++ VdW HB3 ARG 124 - CD2 LEU 126 2.60 10 0.23 0.67 +++ + + ++ + * + VdW CG ARG 124 - CD2 LEU 126 3.20 8 0.14 0.44 + + +++* + + VdW N LEU 126 - CD2 LEU 126 3.05 14 0.42 0.77 ++ ++ ++*++ ++ + ++ VdW H LEU 126 - CD2 LEU 126 2.55 6 0.14 0.65 ++++ + * VdW HG2 PRO 129 - H ASN 130 1.95 12 0.19 0.29 +++ ++ ++ + +*++ VdW O PRO 129 - N LEU 132 2.75 10 0.20 0.48 + ++*+ ++ +++ VdW O PRO 129 - H LEU 132 1.80 8 0.13 0.34 + +* ++ + ++ VdW CG GLU 131 - C GLU 131 2.90 10 0.12 0.24 * ++ ++++++ + VdW HG LEU 132 - CD1 ILE 136 2.60 10 0.16 0.33 + + *++ ++ ++ + VdW CD1 LEU 132 - CD1 ILE 136 3.20 15 0.32 0.64 ++ +++++ +++ + +++* VdW HD11 LEU 132 - CD1 ILE 136 2.60 6 0.11 0.47 + + + ++ * VdW HD12 LEU 132 - CD1 ILE 136 2.60 7 0.14 0.43 + + ++ ++ * VdW HG3 GLN 133 - C GLN 133 2.50 10 0.16 0.31 +++ +++*++ + VdW O ALA 135 - ND2 ASN 139 2.75 9 0.23 0.47 + * + ++++++ Angle PHI LYS 24 -71.00 -51.00 15 13.72 37.17 +++++ +++ +++ +*++ Angle PSI LYS 24 -61.00 -13.00 12 15.72 87.89 +++ +++ + +*+ + + Angle PHI GLN 25 -71.00 -51.00 17 27.64 125.97 ++*+ +++++++ ++++ ++ Angle PSI GLN 25 -58.00 -30.00 18 58.44 100.49 ++++++++*++ +++++++ Angle PHI LEU 26 -78.00 -54.00 17 29.66 77.03 +++++++ +++*++++++ Angle PSI LEU 26 -60.00 -16.00 6 4.09 19.11 + + + + * + Angle PHI TYR 27 -84.00 -44.00 8 10.54 43.00 ++ * + + +++ Angle PSI TYR 27 -54.00 -30.00 17 19.30 40.16 +++++ +*++++++++ ++ Angle PHI GLU 28 -135.00 -51.00 10 12.48 45.09 + + + + + +*+++ Angle PHI LEU 29 -80.00 -48.00 10 8.45 28.28 + + +*+ + ++ ++ Angle PSI LEU 29 -52.00 -24.00 11 14.60 44.12 ++++* ++ + ++ + Angle PHI ASP 30 -117.00 -69.00 15 22.99 60.99 +++++ ++ +++ ++++* Angle PSI ASP 30 -38.00 18.00 12 13.22 51.21 + ++ * + ++ ++++ + Angle PHI ASP 32 -119.00 -39.00 8 9.77 61.58 ++ + + + * ++ Angle PSI ASP 32 86.00 154.00 13 11.00 40.34 +++ +++++ *+ +++ Angle PSI ARG 35 -77.80 -1.30 8 4.01 14.09 + + + +* ++ + Angle PHI LYS 36 -76.30 -48.30 6 3.53 22.05 + +* +++ Angle PSI ASP 40 -51.20 -31.20 16 10.92 25.54 ++ + + + ++++++++++* Angle PSI ASP 41 -52.40 -32.40 9 4.26 13.42 ++ + ++ + +*+ Angle PSI LEU 42 -57.90 -27.10 10 4.82 13.76 ++ + + +++ ++* Angle PHI PHE 43 -71.60 -51.60 18 12.67 22.68 +++++ ++++++++++++* Angle PHI SER 44 -72.40 -52.40 13 5.31 14.30 +++++ + ++ ++ *++ Angle PSI SER 44 -51.20 -28.20 10 8.00 23.61 +++ + + + + +*+ Angle PSI MET 46 -51.10 -31.10 6 3.07 11.81 + +++ + * Angle PSI THR 51 70.00 202.00 7 4.49 16.78 + + + ++ * + Angle PHI VAL 53 -125.10 -65.90 11 7.21 15.28 + + + ++++ * + ++ Angle PHI ARG 55 -149.60 -75.00 7 4.70 20.06 + + + ++ *+ Angle PHI ILE 58 -158.20 -69.60 10 7.05 22.15 *++ + ++ + +++ Angle PSI ILE 58 106.80 169.80 17 20.27 31.92 +++++*+ ++ +++++ +++ Angle PSI MET 59 104.20 143.30 9 5.90 20.51 + +* + + + + ++ Angle PSI LYS 61 -1.60 38.70 9 8.39 32.04 * + ++++ ++ + Angle PHI VAL 63 -122.50 -52.00 9 7.27 20.53 + ++ *+ + + ++ Angle PHI LEU 64 -131.10 -70.30 8 5.34 25.15 +++ + + * + + Angle PSI LEU 64 95.70 162.30 16 15.79 38.45 ++++++ +++ + + *++++ Angle PHI ASP 65 -121.10 -48.00 12 10.03 32.20 +++++ +++ + * ++ Angle PHI LEU 66 -77.70 -41.60 12 8.48 29.61 +++*+++ +++ + + Angle PSI LEU 66 -59.00 1.40 9 4.70 18.75 + ++ ++ *++ + Angle PHI PHE 67 -86.00 -48.30 12 11.40 36.51 + + ++ + * +++++ + Angle PSI PHE 67 -49.50 7.70 13 10.43 28.64 ++ + ++ ++++ +++* Angle PHI LEU 69 -71.30 -51.30 7 4.43 16.47 +* + + + + + Angle PHI VAL 71 -70.40 -50.40 10 8.37 27.15 ++ ++++ * + ++ Angle PSI VAL 71 -56.00 -36.00 13 8.29 20.46 + + ++*++++ ++ + + Angle PHI LEU 72 -76.50 -51.20 9 4.87 10.65 +++ * ++++ + Angle PHI THR 74 -70.60 -50.60 7 4.99 21.74 + * + + + + + Angle PSI LEU 79 -61.50 -23.00 11 6.02 13.50 *++ + + + ++ +++ Angle PHI VAL 80 -76.10 -56.10 9 5.56 16.29 ++ + + +++ + * Angle PSI VAL 80 -51.10 -30.30 16 10.91 20.06 +++++ + ++++*++ +++ Angle PSI GLU 81 -54.70 -30.70 12 5.94 15.86 +++ +++ + +++* + Angle PHI VAL 82 -77.50 -57.50 16 9.80 15.72 +++++ +++ ++++++*+ Angle PSI LYS 85 -15.70 26.70 7 4.06 15.64 ++ * + ++ + Angle PHI TRP 88 -90.20 -37.20 8 3.68 10.54 + + *++ + + + Angle PHI ARG 89 -75.80 -52.80 19 17.68 40.07 +++++++++*+++++++++ Angle PHI THR 92 -71.90 -51.90 10 7.61 23.19 *++++++ + + + Angle PSI THR 92 -53.30 -33.20 7 4.04 21.71 ++ + ++ + * Angle PHI LYS 93 -80.40 -53.60 12 7.34 20.29 ++++ + + *+ ++ ++ Angle PHI LEU 97 -129.10 -49.70 7 7.23 24.26 + +++* + + Angle PSI LEU 97 129.40 166.40 14 15.48 40.77 ++++ +++ ++++ +*+ Angle PHI ILE 101 -136.40 -50.00 9 4.59 14.13 ++* + + + + + + Angle PHI ALA 105 -74.00 -51.90 6 2.96 10.11 + ++ *+ + Angle PSI ALA 105 -51.50 -26.30 8 4.80 21.80 + *+ + ++ ++ Angle PHI PHE 106 -75.30 -54.80 15 12.06 20.68 + ++++++++++++ *+ Angle PHI THR 107 -77.60 -54.30 7 3.75 17.04 + *+++ ++ Angle PSI THR 107 -52.20 -32.20 11 6.39 15.25 + +++*+ ++ + ++ Angle PSI LEU 108 -56.10 -33.70 7 3.24 13.34 +*+++ + + Angle PSI ARG 109 -54.90 -22.30 7 4.79 20.77 + +* ++ + + Angle PHI THR 110 -74.20 -54.20 13 12.18 50.75 ++ ++ ++ + *+++ ++ Angle PHI TYR 119 -74.10 -54.10 12 6.39 24.01 ++ + + +++++ ++ * Angle PSI TYR 119 -51.60 -31.60 8 5.62 22.84 + + * + + + ++ Angle PHI GLU 120 -71.00 -51.00 6 5.02 20.49 + + + +* + Angle PSI CYS 121 -56.40 -29.40 10 6.02 16.19 + + ++ ++++ + * Angle PHI LYS 123 -89.50 -63.80 20 16.76 38.02 +++++++++++++++*++++ Angle PSI LYS 123 -35.70 15.40 16 11.00 23.40 ++ ++ ++++++++* +++ Angle PHI LEU 126 -100.20 -43.50 16 11.21 22.26 +++*++ ++++++ ++ ++ Angle PSI LEU 126 -61.60 22.70 14 10.60 44.25 ++++++ + + +++*+ + Angle PSI GLU 131 -54.10 -34.10 13 5.61 11.29 + +++ ++*+++ ++ + Angle PSI ALA 135 -55.00 -33.80 10 4.96 13.51 + ++ ++ + + + *+ Angle PHI ASP 137 -78.10 -51.20 6 5.14 19.65 + + + ++* 98 violated distance restraints. 341 violated van der Waals restraints. 77 violated angle restraints. RMSDs for residues 25..141: Average backbone RMSD to mean : 1.38 +/- 0.34 A (1.05..2.40 A; 20 structures) Average heavy atom RMSD to mean : 1.91 +/- 0.32 A (1.54..2.96 A; 20 structures)