1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7062 .7062 .7062 .7336 2 HIS 2 -3.0884 -2.0147 999.9900 999.9900 .6686 -1.4782 .7059 .7037 .7046 -.6050 3 HIS 3 -.6280 .1724 999.9900 999.9900 .6686 .0710 .7054 .7032 .7041 .3243 4 HIS 4 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .7061 .7038 .7047 -.6856 5 HIS 5 -.5497 -3.1083 999.9900 999.9900 .6686 -.9965 .7066 .7039 .7050 -.3158 6 HIS 6 -1.0475 -.4813 999.9900 999.9900 .6686 -.2868 .7064 .7034 .7047 .1099 7 HIS 7 -.9818 -.5551 999.9900 999.9900 .6686 -.2894 .7064 .7031 .7045 .1083 8 LEU 8 -1.7422 -2.4128 999.9900 999.9900 .9565 -1.0662 .7062 .7026 .7041 -.3579 9 GLU 9 -.9729 -2.8418 999.9900 -1.0323 .6899 -1.0393 .7056 .7040 .7047 -.4579 10 CYS 10 -.6515 999.9900 .1296 999.9900 .4013 -.0402 .7068 .7042 .7053 .2581 11 SER 11 -1.6374 999.9900 -.7153 999.9900 .8922 -.4868 .7067 .7025 .7043 -.0103 12 SER 12 .9076 999.9900 -.7153 999.9900 .6705 .2876 .7065 .7028 .7043 .4544 13 ASP 13 -1.0188 -1.4116 999.9900 999.9900 .7118 -.5729 .7068 .7043 .7053 -.0615 14 SER 14 -.0526 999.9900 -.7153 999.9900 .6705 -.0325 .7065 .7022 .7040 .2623 15 LEU 15 -2.5767 -2.4128 999.9900 999.9900 .9565 -1.3443 .7069 .7033 .7048 -.5246 16 GLN 16 -3.1236 -.0058 999.9900 1.3059 .5113 -.3281 .7066 .7039 .7050 .0164 17 LEU 17 -.4371 .5521 999.9900 999.9900 .8331 .3161 .7066 .7022 .7041 .4714 18 HIS 18 -.5497 -2.4183 999.9900 999.9900 .6686 -.7665 .7063 .7038 .7048 -.1779 19 ASN 19 -.5865 -3.3254 999.9900 999.9900 .7518 -1.0534 .7063 .7020 .7038 -.3504 20 VAL 20 -.0463 999.9900 -1.0788 999.9900 .7810 -.1147 .7067 .7059 .7063 .2137 21 PHE 21 -.2457 .3192 999.9900 999.9900 .7573 .2769 .7066 .7035 .7048 .4482 22 VAL 22 -2.6451 999.9900 -1.0788 999.9900 .8778 -.9487 .7063 .7059 .7061 -.2868 23 TYR 23 -3.6999 -2.0063 999.9900 999.9900 .5630 -1.7144 .7059 .7034 .7045 -.7468 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7066 .7052 .7058 -.3117 25 SER 25 .9506 999.9900 1.4608 999.9900 .6705 1.0273 .7065 .7028 .7044 .8982 26 PHE 26 -2.3628 -.5590 999.9900 999.9900 .7573 -.7215 .7063 .7032 .7045 -.1510 27 GLN 27 -1.8275 -1.7668 999.9900 1.3059 .5113 -.4443 .7066 .7024 .7041 -.0614 28 ASP 28 -.2149 -1.3712 999.9900 999.9900 .8104 -.2586 .7060 .6570 .6774 .1175 29 PRO 29 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7062 .6178 .6547 .3421 30 ASP 30 1.0149 -1.3328 999.9900 999.9900 .8104 .1642 .7070 .7039 .7052 .3807 31 VAL 31 .3707 999.9900 .5873 999.9900 .8960 .6180 .7063 .7057 .7060 .6532 32 ILE 32 .2963 -1.0628 999.9900 999.9900 .6034 -.0544 .7064 .7065 .7065 .2500 33 ASN 33 1.1117 -3.3254 999.9900 999.9900 .7518 -.4873 .7065 .7032 .7045 -.0104 34 VAL 34 -.2954 999.9900 .2799 999.9900 .7810 .2552 .7068 .7062 .7064 .4357 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7062 .7026 .7041 .1479 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7070 .7037 .7051 -.8975 37 ASP 37 -3.3417 -3.1847 999.9900 999.9900 .7118 -1.9382 .7067 .7037 .7049 -.8808 38 ARG 38 -.8053 .7395 999.9900 .1593 .6728 .1851 .7065 .7014 .7035 .3333 39 THR 39 -.6341 999.9900 .7650 999.9900 .9813 .3707 .7069 .6576 .6781 .4953 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7059 .6127 .6515 .5470 41 GLU 41 -.6811 -1.5476 999.9900 -1.0323 .6899 -.6428 .7051 .7033 .7040 -.1938 42 ILE 42 -.1535 -2.2551 999.9900 999.9900 1.0081 -.4668 .7070 .7066 .7068 .0026 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7066 .7057 .7061 .2576 44 SER 44 -.7578 999.9900 1.0592 999.9900 .7781 .3598 .7066 .7031 .7046 .4978 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7066 .7051 .7057 .4256 46 THR 46 .5084 999.9900 .7650 999.9900 .4476 .5737 .7061 .7066 .7064 .6267 47 LEU 47 -2.0123 -.7461 999.9900 999.9900 .8331 -.6418 .7064 .6545 .6762 -.1129 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7058 .6151 .6529 .5476 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7065 .7048 .7056 .8176 50 PHE 50 -.7849 -.1548 999.9900 999.9900 .8629 -.0256 .7065 .7027 .7043 .2665 51 GLN 51 -.3431 -2.6982 999.9900 2.7911 .7898 .1349 .7066 .7040 .7051 .3250 52 ARG 52 -.4945 -1.2607 999.9900 .1593 .6728 -.1528 .7064 .7025 .7041 .0922 53 PHE 53 -.0244 -1.5726 999.9900 999.9900 .8629 -.2447 .7057 .7025 .7038 .1348 54 ARG 54 -.8233 -1.8960 999.9900 .1593 .8581 -.3085 .7067 .7022 .7041 -.0191 55 LEU 55 -.3493 -1.5262 999.9900 999.9900 .8331 -.3474 .7056 .7026 .7038 .0732 56 LYS 56 -3.5196 -1.9682 999.9900 .1731 .7460 -.8791 .7066 .7031 .7046 -.4266 57 GLY 57 -1.9441 999.9900 999.9900 999.9900 .8277 -.5582 .7062 .7052 .7056 .0737 58 ARG 58 -1.4842 -2.3766 999.9900 .1593 .8581 -.5368 .7054 .7036 .7043 -.1821 59 LEU 59 -.1897 -.2851 999.9900 999.9900 .9565 .1605 .7062 .7038 .7048 .3783 60 TYR 60 -1.4375 -.7135 999.9900 999.9900 .5630 -.5293 .7064 .6433 .6696 -.0477 61 PRO 61 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .7062 .6127 .6517 .0888 62 CYS 62 -1.3337 999.9900 .1296 999.9900 .9108 -.0977 .7065 .7031 .7045 .2233 63 ILE 63 -.4396 -.0414 999.9900 999.9900 1.0081 .1757 .7069 .7063 .7066 .3881 64 VAL 64 -.8680 999.9900 -1.0788 999.9900 .7810 -.3886 .7063 .6572 .6777 .0396 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7067 .6103 .6505 .5055 66 SER 66 .2241 999.9900 -.0289 999.9900 .6705 .2886 .7068 .7032 .7047 .4552 67 GLU 67 .8171 -2.3808 999.9900 -1.0323 .6899 -.4765 .7054 .7026 .7038 -.0830 68 LYS 68 -3.5196 -.2562 999.9900 -.4035 .8827 -.7400 .7067 .7037 .7049 -.3271 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7059 .7047 .7053 .2921 70 GLU 70 -.5648 -.7564 999.9900 -1.0323 .6899 -.4159 .7061 .7016 .7035 -.0427 71 VAL 71 .5332 999.9900 .5873 999.9900 .7810 .6338 .7068 .7060 .7063 .6629 72 HIS 72 -.5132 -.9211 999.9900 999.9900 .5967 -.2792 .7053 .7041 .7046 .1143 73 GLY 73 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .7070 .7059 .7064 -.1176 74 LYS 74 -.3223 .1621 999.9900 -.4035 .8827 -.0169 .7062 .7029 .7043 .1892 75 VAL 75 .3372 999.9900 -.2457 999.9900 .7810 .2908 .7057 .7057 .7057 .4568 76 LEU 76 -.7094 -1.6805 999.9900 999.9900 .8331 -.5189 .7066 .7035 .7048 -.0293 77 MET 77 -.3657 -1.4323 999.9900 .9587 .5203 -.0797 .7068 .7033 .7048 .1819 78 GLY 78 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .7070 .7055 .7061 .1807 79 VAL 79 .3116 999.9900 .2799 999.9900 .8778 .4898 .7067 .7056 .7060 .5763 80 THR 80 -.1761 999.9900 -.8810 999.9900 .7246 -.1109 .7065 .7063 .7064 .2160 81 SER 81 .0086 999.9900 -.0289 999.9900 .6705 .2168 .7065 .7031 .7045 .4120 82 ASP 82 .6354 -.6186 999.9900 999.9900 .7118 .2429 .7063 .7035 .7046 .4277 83 GLU 83 .7157 -.0067 999.9900 -1.0323 .6899 .0916 .7052 .7029 .7039 .2958 84 LEU 84 .8182 -3.3760 999.9900 999.9900 .8331 -.5749 .7065 .7024 .7041 -.0631 85 GLU 85 .8733 .3748 999.9900 1.7325 .6899 .9176 .7057 .7036 .7044 .8466 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7063 .7040 .7049 -.0465 87 LEU 87 .6296 .6031 999.9900 999.9900 .8331 .6886 .7070 .7027 .7045 .6951 88 ASP 88 1.1285 -.7683 999.9900 999.9900 .8104 .3902 .7068 .7037 .7050 .5162 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7063 .7058 .7060 .3900 90 VAL 90 .2188 999.9900 -.0276 999.9900 .7810 .3241 .7056 .7057 .7057 .4767 91 GLU 91 -.1289 -1.3804 999.9900 -1.0323 .6899 -.4629 .7061 .7027 .7041 -.0738 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .7061 .7059 .7060 .4635 93 ASN 93 .1528 -1.5725 999.9900 999.9900 .7518 -.2226 .7062 .7036 .7047 .1484 94 GLU 94 -2.8104 .1208 999.9900 .3501 .3568 -.4957 .7057 .7037 .7046 -.0955 95 TYR 95 -.0390 .3565 999.9900 999.9900 .5630 .2935 .7065 .7036 .7048 .4581 96 GLU 96 -.5863 -.3249 999.9900 -1.0323 .3568 -.3967 .7055 .7033 .7042 -.0297 97 ARG 97 -.8053 .1080 999.9900 .6901 .8581 .3082 .7063 .7034 .7046 .4215 98 VAL 98 -.3637 999.9900 -1.0788 999.9900 .7810 -.2205 .7062 .7044 .7052 .1499 99 THR 99 .0466 999.9900 -.8810 999.9900 .9813 .0490 .7066 .7061 .7063 .3119 100 VAL 100 -.3548 999.9900 -.5532 999.9900 .7810 -.0423 .7064 .7056 .7060 .2570 101 GLY 101 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .7067 .7047 .7056 .2338 102 ILE 102 -1.0140 -2.2551 999.9900 999.9900 1.0081 -.7537 .7064 .7059 .7061 -.1697 103 VAL 103 .1158 999.9900 -.5532 999.9900 .7810 .1146 .7067 .7056 .7060 .3512 104 ARG 104 -.9221 -1.3337 999.9900 .1593 .6728 -.2529 .7065 .7029 .7044 .0207 105 GLU 105 .3258 .3905 999.9900 -1.0323 .6899 .0935 .7065 .7034 .7047 .2973 106 ASP 106 -.8696 -2.4630 999.9900 999.9900 .8104 -.8407 .7063 .7034 .7046 -.2225 107 ASN 107 -.2917 -2.7010 999.9900 999.9900 .6279 -.7883 .7062 .7027 .7042 -.1912 108 SER 108 -1.4791 999.9900 -.7153 999.9900 .6705 -.5080 .7065 .7019 .7038 -.0231 109 GLU 109 -.6897 -.9977 999.9900 -1.0323 .6899 -.5075 .7063 .7034 .7046 -.1034 110 LYS 110 -.2075 -1.3520 999.9900 -.0397 .8827 -.1513 .7061 .7026 .7041 .0932 111 MET 111 -.4857 -2.5481 999.9900 .9587 .4206 -.4136 .7068 .7032 .7047 -.0407 112 ALA 112 -1.2183 999.9900 999.9900 999.9900 .7458 -.2362 .7063 .7056 .7059 .2349 113 VAL 113 -.7132 999.9900 -1.0788 999.9900 .8960 -.2986 .7070 .7054 .7060 .1033 114 LYS 114 -.7069 -1.2879 999.9900 -.0770 .7460 -.2805 .7059 .7029 .7042 .0009 115 THR 115 -.8088 999.9900 -.2947 999.9900 .7246 -.1263 .7061 .7063 .7062 .2067 116 TYR 116 .4225 .2551 999.9900 999.9900 .8158 .4978 .7059 .7032 .7043 .5805 117 MET 117 -.5247 -1.5870 999.9900 .9587 .5203 -.1582 .7066 .7038 .7050 .1296 118 TRP 118 .1017 -1.9067 999.9900 999.9900 .9378 -.2891 .7059 .7033 .7044 .1084 119 ILE 119 .6852 -1.6252 999.9900 999.9900 .6034 -.1122 .7061 .7061 .7061 .2151 120 ASN 120 -.6931 -1.5725 999.9900 999.9900 .8079 -.4859 .7063 .7021 .7039 -.0099 121 LYS 121 -1.9503 -2.9005 999.9900 -.0397 .8827 -.8095 .7066 .7023 .7041 -.3770 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7065 .7048 .7055 -.3269 123 ASP 123 -.1054 -2.3194 999.9900 999.9900 .8104 -.5381 .7067 .6602 .6796 -.0495 124 PRO 124 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7067 .6118 .6514 .4046 125 ASP 125 .3270 -2.4630 999.9900 999.9900 .8104 -.4419 .7057 .7035 .7045 .0167 126 MET 126 -2.6662 -.7698 999.9900 .9587 .5203 -.4892 .7067 .7038 .7050 -.0911 127 PHE 127 -3.6149 -4.3038 999.9900 999.9900 .7573 -2.3871 .7059 .7028 .7041 -1.1505 128 GLY 128 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .7070 .7047 .7057 -.1931 129 GLU 129 -.3633 -1.6501 999.9900 -1.0323 .6899 -.5889 .7063 .7043 .7051 -.1575 130 TRP 130 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .7061 .7035 .7046 -.3462 131 ASN 131 .1451 -1.4522 999.9900 999.9900 .7518 -.1851 .7070 .7020 .7041 .1707 132 PHE 132 .6090 .1608 999.9900 999.9900 .7573 .5090 .7066 .7039 .7050 .5875 133 GLU 133 .6116 -2.3808 999.9900 -1.0323 .6899 -.5279 .7056 .7035 .7044 -.1171 134 GLU 134 .1185 .6046 999.9900 -1.0323 .6899 .0952 .7057 .7030 .7041 .2982 135 TRP 135 .5979 -.3628 999.9900 999.9900 .9378 .3910 .7066 .7031 .7045 .5165 136 LYS 136 1.2214 -.5697 999.9900 -.4035 .7460 .1181 .7065 .7030 .7045 .2857 137 ARG 137 .8469 -1.7413 999.9900 1.3169 .8581 .5195 .7064 .7025 .7041 .5724 138 LEU 138 -.0169 -.4539 999.9900 999.9900 .8331 .1208 .7065 .7024 .7041 .3542 139 HIS 139 1.0849 .7657 999.9900 999.9900 .6686 .8397 .7065 .7035 .7048 .7858 140 LYS 140 .6780 -.1697 999.9900 -.4035 .8827 .1168 .7070 .7028 .7046 .2848 141 LYS 141 -.1232 -1.5020 999.9900 .1140 .8827 -.1029 .7069 .7033 .7048 .1280 142 LYS 142 .9451 -.2695 999.9900 .4996 .7460 .4842 .7068 .7032 .7047 .5473 143 PHE 143 .0766 -4.3038 999.9900 999.9900 .7573 -1.1567 .7067 .7032 .7047 -.4120 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7063 .7061 .7062 .4107 145 GLU 145 .0908 -1.9198 999.9900 .3501 .6899 -.1972 .7065 .7025 .7042 .1034 146 THR 146 .1421 999.9900 -.8810 999.9900 .4476 -.0971 .7058 .7063 .7061 .2241 147 PHE 147 .7405 -3.0602 999.9900 999.9900 .7573 -.5208 .7059 .7027 .7040 -.0308 148 LYS 148 1.0429 -.6131 999.9900 -.0770 .8827 .2317 .7062 .7020 .7038 .3667 149 LYS 149 .6780 -.3404 999.9900 -.4035 .8827 .0826 .7067 .7028 .7044 .2604 150 ILE 150 .6852 .8237 999.9900 999.9900 1.0081 .8390 .7063 .7063 .7063 .7859 151 MET 151 .8064 -2.5481 999.9900 .9587 .5203 -.0657 .7067 .7036 .7049 .1913 152 GLU 152 .6116 -1.5476 999.9900 .3501 .6899 .0260 .7052 .7032 .7040 .2521 153 CYS 153 1.0802 999.9900 .1296 999.9900 .9108 .7069 .7054 .7035 .7043 .7059 154 LYS 154 .0419 -.9203 999.9900 -.0397 .8827 -.0150 .7064 .7019 .7038 .1904 155 LYS 155 -2.1934 -1.8181 999.9900 .2495 .8827 -.5260 .7057 .7032 .7043 -.1744 156 LYS 156 -1.2486 -.4030 999.9900 -.4035 .7460 -.3425 .7059 .6599 .6791 -.0495 157 PRO 157 .3744 999.9900 999.9900 999.9900 .4496 .4120 .7063 .6044 .6469 .5337 158 GLN 158 -2.6620 -.3697 999.9900 2.7911 .5113 .0677 .7052 .7034 .7042 .2799 159 GLY 159 -2.9723 999.9900 999.9900 999.9900 .8277 -1.0723 .7067 .7048 .7056 -.1833 160 GLN 160 -.5881 -1.1512 999.9900 1.3059 .5113 .0195 .7052 .7034 .7041 .2477 161 GLY 161 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7067 .7056 .7061 -.3116 162 ASN 162 -.5106 -1.2512 999.9900 999.9900 .8079 -.3180 .7045 .7029 .7036 .0907 163 ASP 163 -.9954 -2.4630 999.9900 999.9900 .8104 -.8827 .7054 .7041 .7046 -.2477 164 ASP 164 -1.7533 -2.0001 999.9900 999.9900 .8104 -.9810 .7059 .7041 .7048 -.3066 165 ILE 165 -1.4952 -.6139 999.9900 999.9900 .4912 -.5393 .7065 .7062 .7063 -.0410 166 SER 166 -2.4175 999.9900 -.7153 999.9900 .6705 -.8208 .7057 .7026 .7039 -.2108 167 HIS 167 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .7054 .7038 .7045 -.6858 168 VAL 168 -.0951 999.9900 -.2457 999.9900 .7810 .1467 .7061 .7060 .7061 .3705 169 LEU 169 -.2246 -1.0979 999.9900 999.9900 .9565 -.1220 .7063 .7037 .7048 .2088 170 ARG 170 -1.6049 -.2494 999.9900 .1593 .8581 -.1355 .7064 .7027 .7043 .1045 171 GLU 171 -1.5650 -1.3104 999.9900 -1.0323 .6899 -.8044 .7066 .7037 .7049 -.3013 172 ASP 172 -1.1787 -.5463 999.9900 999.9900 .8104 -.3049 .7064 .7037 .7048 .0991 173 GLN 173 999.9900 -1.9601 999.9900 1.3059 999.9900 -.3271 .7068 .7018 .7039 .1886 Means: -.6334 -1.3342 -.2575 .1137 .7415 -.2409 .7063 .6980 .7015 .1161 2.00 analyzed_4