1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7067 .7062 .7064 .7337 2 HIS 2 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .7060 .7033 .7044 -.5960 3 HIS 3 -.6701 -.4813 999.9900 999.9900 .6686 -.1610 .7049 .7040 .7044 .1852 4 HIS 4 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .7061 .7035 .7046 -.7098 5 HIS 5 -.5132 -.8163 999.9900 999.9900 .6686 -.2203 .7059 .7034 .7044 .1497 6 HIS 6 .1408 .2086 999.9900 999.9900 .6686 .3393 .7064 .7041 .7051 .4857 7 HIS 7 -.1228 -1.1713 999.9900 999.9900 .5967 -.2325 .7065 .7025 .7041 .1423 8 LEU 8 -.8349 -3.3760 999.9900 999.9900 .9565 -1.0848 .7060 .7027 .7041 -.3691 9 GLU 9 -1.3476 -2.3808 999.9900 -1.0323 .6899 -1.0177 .7061 .7025 .7040 -.4437 10 CYS 10 -1.0658 999.9900 .1296 999.9900 1.0610 .0416 .7067 .7039 .7051 .3071 11 SER 11 -3.2405 999.9900 -.7153 999.9900 .8922 -1.0212 .7060 .7029 .7042 -.3310 12 SER 12 -.7856 999.9900 -.7153 999.9900 .6705 -.2768 .7063 .7021 .7039 .1156 13 ASP 13 -2.8635 -2.4630 999.9900 999.9900 .9215 -1.4684 .7069 .7036 .7050 -.5989 14 SER 14 -2.4175 999.9900 -.0289 999.9900 .6705 -.5920 .7060 .7010 .7031 -.0738 15 LEU 15 -3.7702 -2.5464 999.9900 999.9900 .9565 -1.7867 .7058 .7035 .7044 -.7901 16 GLN 16 -3.1236 -.7562 999.9900 1.3059 .5113 -.5157 .7066 .7031 .7046 -.1088 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7062 .7032 .7045 -.0271 18 HIS 18 -.6701 -1.3248 999.9900 999.9900 .6686 -.4421 .7055 .7030 .7040 .0164 19 ASN 19 -.5865 -2.7010 999.9900 999.9900 .7518 -.8452 .7061 .7015 .7034 -.2256 20 VAL 20 .0429 999.9900 -.2457 999.9900 .7810 .1928 .7068 .7059 .7063 .3982 21 PHE 21 -.2560 .3192 999.9900 999.9900 .7573 .2735 .7066 .7019 .7039 .4458 22 VAL 22 -2.7360 999.9900 -.5532 999.9900 .8778 -.8038 .7066 .7060 .7063 -.1998 23 TYR 23 -3.6999 -1.5559 999.9900 999.9900 .5630 -1.5643 .7058 .7034 .7044 -.6567 24 GLY 24 -2.2927 999.9900 999.9900 999.9900 .8897 -.7015 .7054 .7056 .7055 .0020 25 SER 25 .4640 999.9900 -.7153 999.9900 .6705 .1397 .7064 .7029 .7044 .3657 26 PHE 26 -.7647 -1.5308 999.9900 999.9900 .7573 -.5128 .7069 .7036 .7050 -.0256 27 GLN 27 .4537 -2.6982 999.9900 1.3059 .5113 -.1068 .7069 .7042 .7054 .1640 28 ASP 28 -.6293 -1.2611 999.9900 999.9900 .8104 -.3600 .7069 .6565 .6775 .0567 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .9143 .3993 .7066 .6118 .6513 .5293 30 ASP 30 1.0149 -1.4992 999.9900 999.9900 .8104 .1087 .7063 .7037 .7048 .3472 31 VAL 31 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .7071 .7058 .7063 .3362 32 ILE 32 .5785 -.9795 999.9900 999.9900 .6034 .0675 .7066 .7061 .7063 .3230 33 ASN 33 1.1117 -.6730 999.9900 999.9900 .7518 .3969 .7066 .7032 .7046 .5201 34 VAL 34 -.2954 999.9900 .8055 999.9900 .8960 .4687 .7069 .7059 .7063 .5638 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7059 .7038 .7047 .1480 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7065 .7028 .7043 -.8978 37 ASP 37 -3.3417 -2.3194 999.9900 999.9900 .7118 -1.6498 .7067 .7032 .7046 -.7079 38 ARG 38 -1.6049 -.8531 999.9900 .1593 .6728 -.2933 .7065 .7024 .7041 -.0083 39 THR 39 .0102 999.9900 1.4642 999.9900 .4476 .6407 .7065 .6653 .6825 .6588 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7061 .6216 .6568 .5493 41 GLU 41 -.7635 -1.6501 999.9900 1.7325 .6899 .0022 .7065 .7033 .7046 .2364 42 ILE 42 .0813 -1.7901 999.9900 999.9900 1.0081 -.2335 .7068 .7057 .7061 .1424 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7070 .7067 .7068 .2578 44 SER 44 -.7578 999.9900 .3727 999.9900 .6705 .0951 .7068 .7022 .7041 .3389 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .7458 .0974 .7068 .7056 .7061 .4018 46 THR 46 .5084 999.9900 .8779 999.9900 .4476 .6113 .7064 .7062 .7062 .6493 47 LEU 47 -2.5767 -.7461 999.9900 999.9900 .8331 -.8299 .7066 .6570 .6776 -.2252 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7065 .6169 .6542 .5482 49 GLY 49 .7683 999.9900 999.9900 999.9900 .8277 .7980 .7060 .7054 .7057 .7518 50 PHE 50 -.7849 -.6014 999.9900 999.9900 .8629 -.1745 .7065 .7031 .7045 .1772 51 GLN 51 -.3431 -1.9601 999.9900 1.3059 .7898 -.0519 .7066 .7035 .7048 .2004 52 ARG 52 -.4155 -1.5080 999.9900 .6901 .8581 .0630 .7068 .7025 .7043 .2463 53 PHE 53 .1161 -1.5726 999.9900 999.9900 .8629 -.1979 .7063 .7027 .7042 .1631 54 ARG 54 -.8233 -2.3766 999.9900 .1593 .8581 -.4046 .7056 .7026 .7038 -.0879 55 LEU 55 -3.7702 -3.3760 999.9900 999.9900 .8331 -2.1043 .7066 .7024 .7041 -.9808 56 LYS 56 -3.5196 -1.3520 999.9900 .3546 .7460 -.6832 .7063 .7028 .7042 -.2867 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7066 .7049 .7056 -.3118 58 ARG 58 -2.9267 -2.3766 999.9900 .1593 .8581 -.8253 .7059 .7033 .7044 -.3882 59 LEU 59 -.3075 -.2851 999.9900 999.9900 .9565 .1213 .7062 .7033 .7045 .3547 60 TYR 60 -1.4375 -.6021 999.9900 999.9900 .5630 -.4922 .7066 .6509 .6741 -.0238 61 PRO 61 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .7064 .6112 .6509 .0885 62 CYS 62 -.9252 999.9900 .1296 999.9900 .9108 .0384 .7061 .7036 .7047 .3050 63 ILE 63 -.4396 -.0414 999.9900 999.9900 .6034 .0408 .7067 .7057 .7061 .3070 64 VAL 64 -.8680 999.9900 -.2457 999.9900 .8960 -.0726 .7068 .6603 .6797 .2299 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7069 .6118 .6514 .5059 66 SER 66 .2241 999.9900 -.0289 999.9900 .6705 .2886 .7061 .7021 .7038 .4548 67 GLU 67 1.0761 .5971 999.9900 -1.0323 .6899 .3327 .7063 .7025 .7041 .4566 68 LYS 68 -3.5196 .0381 999.9900 .6878 .7460 -.2720 .7062 .7026 .7041 .0070 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7067 .7047 .7056 .2923 70 GLU 70 -.6559 -1.4588 999.9900 .3501 .6899 -.2687 .7060 .7026 .7040 .0557 71 VAL 71 .4077 999.9900 .9747 999.9900 .7810 .7211 .7070 .7061 .7065 .7153 72 HIS 72 -.7615 -1.5062 999.9900 999.9900 .6686 -.5330 .7061 .7037 .7047 -.0379 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7066 .7054 .7059 -.0645 74 LYS 74 -.3223 .1621 999.9900 -.4035 .8827 -.0169 .7060 .7034 .7045 .1893 75 VAL 75 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .7064 .7059 .7061 .2904 76 LEU 76 -1.0430 -1.3209 999.9900 999.9900 .8331 -.5103 .7069 .7037 .7050 -.0240 77 MET 77 -.9371 -1.0247 999.9900 .9587 .5203 -.1207 .7067 .7034 .7048 .1545 78 GLY 78 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .7068 .7049 .7057 .8078 79 VAL 79 -.6207 999.9900 -1.0788 999.9900 .7810 -.3061 .7065 .7050 .7056 .0986 80 THR 80 -.1761 999.9900 .0483 999.9900 .7246 .1989 .7069 .7065 .7067 .4020 81 SER 81 .7360 999.9900 -.0289 999.9900 .6705 .4592 .7069 .7028 .7045 .5575 82 ASP 82 .8349 -1.7105 999.9900 999.9900 .7118 -.0546 .7066 .7044 .7053 .2495 83 GLU 83 .0765 1.2631 999.9900 .3501 .6899 .5949 .7065 .7029 .7044 .6315 84 LEU 84 .8442 .1432 999.9900 999.9900 .9565 .6480 .7066 .7024 .7042 .6706 85 GLU 85 .6833 -.5578 999.9900 -1.0323 .3568 -.1375 .7064 .7036 .7047 .1433 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7055 .7024 .7037 -.0469 87 LEU 87 .8442 .3561 999.9900 999.9900 .8331 .6778 .7062 .7024 .7040 .6884 88 ASP 88 .9343 .4993 999.9900 999.9900 .8104 .7480 .7064 .7036 .7048 .7308 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7068 .7053 .7059 .3900 90 VAL 90 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .7065 .7058 .7061 .4196 91 GLU 91 .0765 -1.1358 999.9900 .3501 .6899 -.0048 .7057 .7034 .7043 .2316 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7066 .7051 .7058 .4734 93 ASN 93 .7786 -1.7113 999.9900 999.9900 .7518 -.0603 .7066 .7032 .7046 .2458 94 GLU 94 -2.8104 -1.6501 999.9900 -1.0323 .3568 -1.2840 .7065 .7031 .7045 -.6211 95 TYR 95 -.0390 .5297 999.9900 999.9900 .5630 .3512 .7070 .7033 .7048 .4928 96 GLU 96 -.5863 -.3249 999.9900 .3501 .3568 -.0511 .7065 .7038 .7049 .2010 97 ARG 97 -.3136 -.8157 999.9900 1.2208 .8581 .4341 .7064 .7029 .7044 .5114 98 VAL 98 -.0523 999.9900 -.5532 999.9900 .7810 .0585 .7067 .7059 .7063 .3177 99 THR 99 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .7069 .7063 .7065 .1496 100 VAL 100 -.4097 999.9900 -.2457 999.9900 .7810 .0419 .7068 .7059 .7063 .3077 101 GLY 101 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .7065 .7054 .7059 .3211 102 ILE 102 -.7823 -2.2551 999.9900 999.9900 1.0081 -.6764 .7066 .7059 .7062 -.1233 103 VAL 103 -.4337 999.9900 .9747 999.9900 .7810 .4407 .7066 .7066 .7066 .5470 104 ARG 104 -1.0672 -1.0788 999.9900 .1593 .8581 -.1938 .7069 .7034 .7048 .0630 105 GLU 105 -.3012 .3905 999.9900 -1.0323 .6899 -.0633 .7056 .7038 .7045 .1927 106 ASP 106 -.2299 -3.7306 999.9900 999.9900 .7118 -1.0829 .7063 .7037 .7048 -.3677 107 ASN 107 -.2917 -3.3254 999.9900 999.9900 .6279 -.9964 .7065 .7030 .7045 -.3159 108 SER 108 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .7061 .7032 .7044 .0402 109 GLU 109 -.6086 -1.0866 999.9900 -1.0323 .6899 -.5094 .7061 .7027 .7042 -.1048 110 LYS 110 -.2683 -1.0793 999.9900 -.4035 .8827 -.2544 .7065 .7030 .7045 .0197 111 MET 111 -.4857 -2.5481 999.9900 .9587 .4206 -.4136 .7065 .7037 .7049 -.0407 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7066 .7051 .7057 .3111 113 VAL 113 -1.4748 999.9900 -1.0788 999.9900 .8960 -.5525 .7066 .7052 .7058 -.0492 114 LYS 114 -.2075 .1030 999.9900 .1140 .7460 .1739 .7061 .7020 .7037 .3254 115 THR 115 .2328 999.9900 -.2947 999.9900 .4476 .1286 .7061 .7064 .7063 .3596 116 TYR 116 .0214 .4149 999.9900 999.9900 .5630 .3331 .7063 .7035 .7047 .4818 117 MET 117 -.8637 -.7698 999.9900 .9587 .5203 -.0386 .7052 .7039 .7044 .2091 118 TRP 118 -.4879 -1.9067 999.9900 999.9900 .8342 -.5201 .7052 .7038 .7044 -.0303 119 ILE 119 .6852 -1.7901 999.9900 999.9900 1.0081 -.0323 .7065 .7062 .7063 .2632 120 ASN 120 -.8722 -.3237 999.9900 999.9900 .8079 -.1293 .7066 .7020 .7039 .2041 121 LYS 121 -2.2985 -.0433 999.9900 -.4035 .8827 -.4532 .7068 .7034 .7048 -.1223 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7068 .7061 .7064 -.3265 123 ASP 123 -.6028 -.8657 999.9900 999.9900 .8104 -.2194 .7065 .6585 .6785 .1414 124 PRO 124 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7069 .6156 .6537 .3095 125 ASP 125 .2633 -.6654 999.9900 999.9900 .8104 .1361 .7058 .7037 .7046 .3636 126 MET 126 -.2265 -1.0247 999.9900 .9587 .5203 .0569 .7069 .7034 .7049 .2730 127 PHE 127 -3.6149 -.6308 999.9900 999.9900 .7573 -1.1628 .7069 .7028 .7045 -.4157 128 GLY 128 -1.0150 999.9900 999.9900 999.9900 .8277 -.0936 .7061 .7051 .7055 .3060 129 GLU 129 -.6163 -2.8418 999.9900 -1.0323 .6899 -.9501 .7060 .7032 .7044 -.3985 130 TRP 130 -.5246 -3.3859 999.9900 999.9900 .9378 -.9909 .7060 .7034 .7045 -.3127 131 ASN 131 -3.4329 1.1578 999.9900 999.9900 .7518 -.5078 .7062 .7030 .7043 -.0228 132 PHE 132 .4032 -4.3038 999.9900 999.9900 .8629 -1.0126 .7061 .7031 .7043 -.3257 133 GLU 133 .6116 -.5578 999.9900 1.1588 .6899 .4756 .7056 .7025 .7038 .5518 134 GLU 134 .8604 .7809 999.9900 -1.0323 .6899 .3247 .7038 .7034 .7036 .4510 135 TRP 135 .7294 .3450 999.9900 999.9900 .8342 .6362 .7061 .7039 .7048 .6637 136 LYS 136 1.2214 -1.9682 999.9900 .3546 .7460 .1417 .7067 .7032 .7047 .3026 137 ARG 137 .6655 -1.6149 999.9900 .9503 .8581 .3619 .7062 .7024 .7040 .4597 138 LEU 138 .6509 -.4018 999.9900 999.9900 .8331 .3607 .7065 .7023 .7041 .4982 139 HIS 139 -.9209 -.9211 999.9900 999.9900 .6686 -.3912 .7061 .7038 .7047 .0473 140 LYS 140 .6780 -.1697 999.9900 -.0770 .8827 .2474 .7065 .7027 .7043 .3780 141 LYS 141 -.1232 -.6131 999.9900 -.4035 .8827 -.1321 .7064 .7023 .7041 .1069 142 LYS 142 .9451 -.2178 999.9900 -.4035 .7460 .1333 .7068 .7027 .7044 .2965 143 PHE 143 -.0639 -.5590 999.9900 999.9900 .7573 .0448 .7065 .7032 .7046 .3088 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7064 .7057 .7060 .4107 145 GLU 145 -.1187 -2.3808 999.9900 .3501 .6899 -.3649 .7064 .7019 .7037 -.0086 146 THR 146 -.3004 999.9900 .4804 999.9900 .4476 .2092 .7062 .7062 .7062 .4080 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7065 .7028 .7043 -.2793 148 LYS 148 1.0429 -1.1257 999.9900 .3546 .8827 .3018 .7069 .7029 .7046 .4170 149 LYS 149 .6780 -.4030 999.9900 .1140 .8827 .2771 .7068 .7031 .7047 .3994 150 ILE 150 .5785 .8778 999.9900 999.9900 1.0081 .8215 .7069 .7063 .7066 .7755 151 MET 151 .6473 -.9517 999.9900 .9587 .5203 .2937 .7067 .7025 .7042 .4306 152 GLU 152 .6116 -2.8418 999.9900 -1.0323 .3568 -.7264 .7059 .7032 .7043 -.2495 153 CYS 153 .8160 999.9900 .1296 999.9900 .9108 .6188 .7063 .7031 .7044 .6532 154 LYS 154 -.2512 -.5490 999.9900 .4411 .8827 .1930 .7067 .7018 .7039 .3391 155 LYS 155 -3.5196 .0632 999.9900 -.4035 .8827 -.6762 .7061 .7019 .7036 -.2818 156 LYS 156 -2.1024 -2.9005 999.9900 -.4035 .8827 -.9855 .7068 .6654 .6826 -.5079 157 PRO 157 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7068 .6125 .6518 .4133 158 GLN 158 -.3431 -.2368 999.9900 2.7911 .5113 .6806 .7049 .7033 .7040 .6884 159 GLY 159 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7067 .7034 .7049 -.3121 160 GLN 160 -3.1236 -.5355 999.9900 1.3059 .5113 -.4605 .7055 .7027 .7038 -.0723 161 GLY 161 -2.9723 999.9900 999.9900 999.9900 .8277 -1.0723 .7062 .7053 .7057 -.1833 162 ASN 162 -2.3558 -.8859 999.9900 999.9900 .7518 -.8300 .7063 .7025 .7041 -.2162 163 ASP 163 -.5648 -1.8420 999.9900 999.9900 .8104 -.5322 .7060 .7037 .7046 -.0374 164 ASP 164 -2.2314 -1.0518 999.9900 999.9900 .8104 -.8243 .7057 .7038 .7046 -.2127 165 ILE 165 -4.2337 -2.0226 999.9900 999.9900 .4912 -1.9217 .7069 .7056 .7061 -.8705 166 SER 166 -2.0349 999.9900 -.7153 999.9900 .6705 -.6932 .7065 .7029 .7044 -.1341 167 HIS 167 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .7063 .7035 .7047 -.5293 168 VAL 168 -3.4930 999.9900 .1416 999.9900 .7810 -.8568 .7065 .7060 .7062 -.2316 169 LEU 169 -.8188 -2.4128 999.9900 999.9900 .8331 -.7995 .7057 .7028 .7040 -.1980 170 ARG 170 -1.6049 -.3536 999.9900 .1593 .8581 -.1563 .7058 .7022 .7037 .0895 171 GLU 171 -1.6894 -.7564 999.9900 .3501 .6899 -.3514 .7059 .7029 .7042 .0005 172 ASP 172 -.5058 -1.1646 999.9900 999.9900 .7118 -.3195 .7061 .7036 .7046 .0902 173 GLN 173 999.9900 -2.6982 999.9900 1.3059 999.9900 -.6962 .7067 .7010 .7035 .0039 Means: -.7281 -1.2548 -.2008 .2284 .7359 -.2363 .7064 .6982 .7016 .1190 2.00 analyzed_14