1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7068 .7061 .7065 .7337 2 HIS 2 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7064 .7038 .7049 -.8236 3 HIS 3 -3.0884 -1.1713 999.9900 999.9900 .6686 -1.1970 .7057 .7025 .7038 -.4366 4 HIS 4 -1.6168 -2.4183 999.9900 999.9900 .6686 -1.1222 .7060 .7039 .7048 -.3913 5 HIS 5 -.5497 -.2312 999.9900 999.9900 .6686 -.0374 .7065 .7025 .7042 .2594 6 HIS 6 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7057 .7021 .7036 -.8241 7 HIS 7 -.5497 .2436 999.9900 999.9900 .6686 .1208 .7058 .7040 .7047 .3544 8 LEU 8 -3.7702 -2.4128 999.9900 999.9900 .8331 -1.7833 .7067 .7036 .7049 -.7879 9 GLU 9 -3.2255 -2.3808 999.9900 -1.0323 .6899 -1.4872 .7066 .7027 .7043 -.7566 10 CYS 10 -1.1459 999.9900 .1296 999.9900 .4013 -.2050 .7065 .7039 .7050 .1591 11 SER 11 -2.1138 999.9900 -.7153 999.9900 .8922 -.6457 .7067 .7031 .7046 -.1054 12 SER 12 -2.1138 999.9900 -.7153 999.9900 .6705 -.7195 .7062 .7026 .7041 -.1500 13 ASP 13 -3.3417 -.9533 999.9900 999.9900 .7118 -1.1944 .7066 .7042 .7052 -.4345 14 SER 14 .4341 999.9900 .3727 999.9900 .6705 .4924 .7058 .7028 .7041 .5772 15 LEU 15 -1.7747 -2.0611 999.9900 999.9900 .9565 -.9598 .7059 .7016 .7034 -.2944 16 GLN 16 -3.1236 -.5355 999.9900 1.3059 .5113 -.4605 .7059 .7034 .7045 -.0721 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7069 .7027 .7044 -.0271 18 HIS 18 -.6701 -.3484 999.9900 999.9900 .6686 -.1166 .7058 .7036 .7045 .2119 19 ASN 19 -1.1452 -2.7010 999.9900 999.9900 .7518 -1.0315 .7067 .7026 .7043 -.3370 20 VAL 20 .0429 999.9900 -.2457 999.9900 .7810 .1928 .7064 .7063 .7063 .3982 21 PHE 21 -.2560 .5389 999.9900 999.9900 .7573 .3467 .7065 .7030 .7044 .4899 22 VAL 22 -2.3613 999.9900 .1416 999.9900 .8778 -.4473 .7065 .7063 .7063 .0142 23 TYR 23 -3.6999 -.9230 999.9900 999.9900 .5630 -1.3533 .7055 .7030 .7040 -.5303 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7068 .7051 .7058 -.3117 25 SER 25 .8349 999.9900 -.0289 999.9900 .6705 .4922 .7064 .7028 .7043 .5771 26 PHE 26 -2.7602 .4802 999.9900 999.9900 .7573 -.5076 .7067 .7031 .7046 -.0226 27 GLN 27 .3572 -.9749 999.9900 1.3059 .5113 .2999 .7063 .7041 .7051 .4350 28 ASP 28 -.5526 -1.2611 999.9900 999.9900 .8104 -.3344 .7056 .6591 .6785 .0723 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .9143 .3993 .7059 .6180 .6547 .5307 30 ASP 30 1.0149 -1.4542 999.9900 999.9900 .8104 .1237 .7065 .7038 .7049 .3563 31 VAL 31 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .7068 .7060 .7064 .2972 32 ILE 32 1.0067 -.3653 999.9900 999.9900 .6034 .4149 .7062 .7058 .7060 .5314 33 ASN 33 1.1117 -1.7113 999.9900 999.9900 .7518 .0507 .7065 .7029 .7044 .3123 34 VAL 34 -.2954 999.9900 .5873 999.9900 .7810 .3576 .7069 .7064 .7066 .4972 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7058 .7026 .7039 .1478 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7058 .7018 .7035 -.8981 37 ASP 37 -3.3417 -2.6388 999.9900 999.9900 .7118 -1.7562 .7068 .7041 .7053 -.7715 38 ARG 38 -1.6049 -2.3766 999.9900 .5548 .6728 -.4398 .7046 .7020 .7031 -.1132 39 THR 39 -.4672 999.9900 .2916 999.9900 .4476 .0907 .7067 .6581 .6783 .3274 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7063 .6085 .6492 .5460 41 GLU 41 -.6811 -1.9198 999.9900 -1.0323 .6899 -.7358 .7066 .7029 .7045 -.2556 42 ILE 42 -.2252 -2.2551 999.9900 999.9900 1.0081 -.4907 .7067 .7060 .7063 -.0119 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7062 .7062 .7062 .2576 44 SER 44 -.7578 999.9900 1.0592 999.9900 .7781 .3598 .7069 .7026 .7044 .4978 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7061 .7044 .7051 .4253 46 THR 46 .5084 999.9900 .2916 999.9900 .4476 .4159 .7053 .7063 .7059 .5318 47 LEU 47 -2.0123 -.7461 999.9900 999.9900 .8331 -.6418 .7060 .6533 .6753 -.1132 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7062 .6237 .6581 .5498 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7069 .7048 .7057 .8177 50 PHE 50 -.0803 -.1548 999.9900 999.9900 .7573 .1741 .7065 .7029 .7044 .3863 51 GLN 51 -.3854 -1.9601 999.9900 1.3059 .7898 -.0625 .7069 .7039 .7051 .1935 52 ARG 52 -.5383 -1.2607 999.9900 .1593 .8581 -.1244 .7066 .7035 .7048 .1126 53 PHE 53 .1032 -1.7109 999.9900 999.9900 .7573 -.2835 .7059 .7036 .7046 .1118 54 ARG 54 -.6367 -2.8571 999.9900 .6901 .8581 -.2511 .7068 .7033 .7048 .0221 55 LEU 55 -3.7702 -2.2115 999.9900 999.9900 .8331 -1.7162 .7069 .7022 .7041 -.7479 56 LYS 56 -1.6740 -1.5020 999.9900 .5368 .8827 -.2439 .7066 .7027 .7043 .0271 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7065 .7050 .7057 -.3118 58 ARG 58 -2.5097 -1.7413 999.9900 .6901 .8581 -.4026 .7067 .7033 .7047 -.0861 59 LEU 59 -1.3472 .3419 999.9900 999.9900 .9565 -.0163 .7046 .7024 .7033 .2716 60 TYR 60 -.3370 -1.9357 999.9900 999.9900 .5630 -.5699 .7068 .6532 .6755 -.0700 61 PRO 61 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .7050 .6208 .6559 .0905 62 CYS 62 .1005 999.9900 .1296 999.9900 .9108 .3803 .7063 .7038 .7048 .5102 63 ILE 63 -.6670 -.2003 999.9900 999.9900 1.0081 .0469 .7069 .7063 .7066 .3108 64 VAL 64 -.8680 999.9900 -1.0788 999.9900 .7810 -.3886 .7066 .6596 .6792 .0401 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7066 .6090 .6497 .5052 66 SER 66 .0184 999.9900 -.0289 999.9900 .6705 .2200 .7063 .7026 .7041 .4138 67 GLU 67 1.0761 -1.9198 999.9900 -1.0323 .6899 -.2965 .7064 .7020 .7038 .0370 68 LYS 68 -3.5196 -1.4228 999.9900 -.0397 .7460 -.8552 .7067 .7028 .7044 -.4095 69 GLY 69 -1.3026 999.9900 999.9900 999.9900 .7883 -.2571 .7068 .7040 .7052 .2241 70 GLU 70 -.4325 -.6748 999.9900 -1.0323 .6899 -.3624 .7061 .7023 .7039 -.0069 71 VAL 71 .4077 999.9900 .8055 999.9900 .7810 .6647 .7062 .7056 .7058 .6812 72 HIS 72 -.7615 -1.5062 999.9900 999.9900 .6686 -.5330 .7067 .7024 .7042 -.0380 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7067 .7042 .7053 -.0648 74 LYS 74 -.3223 -1.5918 999.9900 -.4035 .8827 -.3677 .7064 .7022 .7039 -.0614 75 VAL 75 .5332 999.9900 -1.0788 999.9900 .7810 .0785 .7064 .7063 .7063 .3296 76 LEU 76 -.7094 -1.6805 999.9900 999.9900 .8331 -.5189 .7063 .7026 .7041 -.0296 77 MET 77 -.9371 -1.0247 999.9900 .9587 .5203 -.1207 .7061 .7029 .7043 .1544 78 GLY 78 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .7057 .7060 .7059 .8079 79 VAL 79 -1.1192 999.9900 -1.0788 999.9900 .7810 -.4723 .7068 .7056 .7061 -.0009 80 THR 80 -.1761 999.9900 .4804 999.9900 .7246 .3429 .7070 .7060 .7064 .4884 81 SER 81 .8760 999.9900 -.7153 999.9900 .6705 .2770 .7059 .7036 .7045 .4481 82 ASP 82 .6354 -.3623 999.9900 999.9900 .8104 .3612 .7064 .7042 .7051 .4988 83 GLU 83 .8604 -2.3808 999.9900 -1.0323 .6899 -.4657 .7065 .7037 .7048 -.0755 84 LEU 84 .8786 .2515 999.9900 999.9900 .9565 .6955 .7064 .7024 .7041 .6991 85 GLU 85 .6833 -1.9198 999.9900 .3501 .6899 -.0491 .7066 .7031 .7045 .2022 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7058 .7026 .7039 -.0468 87 LEU 87 .6296 .6031 999.9900 999.9900 .8331 .6886 .7060 .7027 .7041 .6949 88 ASP 88 .6201 -.7683 999.9900 999.9900 .8104 .2207 .7070 .7037 .7051 .4146 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7070 .7056 .7062 .3901 90 VAL 90 .2188 999.9900 .3968 999.9900 .7810 .4655 .7053 .7062 .7058 .5616 91 GLU 91 -.1289 -1.9198 999.9900 1.7325 .6899 .0934 .7061 .7014 .7034 .2969 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7055 .7048 .7051 .4730 93 ASN 93 .1528 -.9481 999.9900 999.9900 .7518 -.0145 .7057 .7038 .7046 .2732 94 GLU 94 -2.8104 -.0067 999.9900 .3501 .3568 -.5276 .7068 .7025 .7043 -.1168 95 TYR 95 -.0390 .3565 999.9900 999.9900 .5630 .2935 .7059 .7025 .7039 .4578 96 GLU 96 -.5863 -.3249 999.9900 -1.0323 .6899 -.3134 .7065 .7026 .7042 .0259 97 ARG 97 -.8053 -.3536 999.9900 .5548 .8581 .1618 .7059 .7023 .7038 .3167 98 VAL 98 -.3637 999.9900 -1.0788 999.9900 .7810 -.2205 .7055 .7050 .7052 .1498 99 THR 99 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .7056 .7060 .7059 .1493 100 VAL 100 -.4097 999.9900 .1416 999.9900 .7810 .1710 .7070 .7061 .7064 .3852 101 GLY 101 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .7066 .7043 .7053 .3208 102 ILE 102 -.7823 -2.4201 999.9900 999.9900 1.0081 -.7314 .7070 .7057 .7062 -.1563 103 VAL 103 .1158 999.9900 .9747 999.9900 .7810 .6238 .7069 .7062 .7065 .6569 104 ARG 104 -1.5415 -1.2607 999.9900 1.0005 .6728 -.0257 .7061 .7026 .7040 .1829 105 GLU 105 -.5936 1.2230 999.9900 .3501 .6899 .4173 .7056 .7031 .7042 .5130 106 ASP 106 -.2299 -.9083 999.9900 999.9900 .8104 -.1093 .7062 .7032 .7045 .2163 107 ASN 107 -3.4329 -3.3254 999.9900 999.9900 .6279 -2.0435 .7066 .7031 .7045 -.9441 108 SER 108 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .7059 .7028 .7041 -.4792 109 GLU 109 -.6897 -.4402 999.9900 1.1588 .6899 .1797 .7068 .7013 .7036 .3545 110 LYS 110 -.2400 -1.0793 999.9900 -.4035 .8827 -.2487 .7070 .7025 .7044 .0237 111 MET 111 -.3206 -1.7864 999.9900 .9587 .5203 -.1570 .7064 .7035 .7047 .1303 112 ALA 112 -.8393 999.9900 999.9900 999.9900 .7458 -.0467 .7069 .7044 .7054 .3294 113 VAL 113 -1.4748 999.9900 -1.0788 999.9900 .8960 -.5525 .7070 .7055 .7061 -.0490 114 LYS 114 -.3286 -.3256 999.9900 -.4035 .7460 -.1431 .7065 .7019 .7038 .0990 115 THR 115 .2973 999.9900 -.8810 999.9900 .4476 -.0454 .7062 .7063 .7062 .2553 116 TYR 116 .0406 .2551 999.9900 999.9900 .8158 .3705 .7068 .7034 .7048 .5044 117 MET 117 -.5247 -1.5870 999.9900 .9587 .5203 -.1582 .7056 .7035 .7044 .1294 118 TRP 118 .1017 -3.3859 999.9900 999.9900 .9378 -.7821 .7069 .7041 .7053 -.1871 119 ILE 119 .6852 -1.6252 999.9900 999.9900 .6034 -.1122 .7061 .7058 .7060 .2151 120 ASN 120 -.6931 -2.7010 999.9900 999.9900 .8079 -.8621 .7054 .7024 .7037 -.2357 121 LYS 121 -1.8854 .1550 999.9900 -.4035 .8827 -.3309 .7068 .7037 .7050 -.0349 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7067 .7053 .7059 -.3267 123 ASP 123 .0214 -2.3194 999.9900 999.9900 .8104 -.4959 .7056 .6523 .6745 -.0259 124 PRO 124 -.1497 999.9900 999.9900 999.9900 .9143 .3823 .7065 .6085 .6493 .5199 125 ASP 125 .6201 -1.3712 999.9900 999.9900 .8104 .0198 .7069 .7028 .7045 .2938 126 MET 126 -.6343 -2.0676 999.9900 .9587 .5203 -.3057 .7069 .7031 .7047 .0312 127 PHE 127 -3.0756 .1164 999.9900 999.9900 .7573 -.7340 .7054 .7023 .7036 -.1588 128 GLY 128 -.2744 999.9900 999.9900 999.9900 .8277 .2766 .7062 .7046 .7053 .4910 129 GLU 129 -.5239 -.2670 999.9900 -1.0323 .6899 -.2833 .7056 .7034 .7043 .0459 130 TRP 130 -.3875 -3.3859 999.9900 999.9900 .9378 -.9452 .7065 .7037 .7048 -.2851 131 ASN 131 .7786 .9797 999.9900 999.9900 .7518 .8367 .7068 .7022 .7041 .7838 132 PHE 132 1.0502 -3.6820 999.9900 999.9900 .7573 -.6248 .7053 .7035 .7042 -.0931 133 GLU 133 .6116 .4207 999.9900 -1.0323 .6899 .1725 .7059 .7027 .7040 .3497 134 GLU 134 .6116 .6653 999.9900 -1.0323 .6899 .2336 .7062 .7028 .7042 .3906 135 TRP 135 .7294 .3450 999.9900 999.9900 .9378 .6707 .7067 .7031 .7046 .6844 136 LYS 136 .2857 -2.1617 999.9900 -.4035 .7460 -.3874 .7067 .7023 .7041 -.0754 137 ARG 137 .6655 -1.4154 999.9900 .6901 .6728 .2606 .7047 .7037 .7041 .3873 138 LEU 138 .6509 -1.0469 999.9900 999.9900 .8331 .1457 .7061 .7025 .7040 .3691 139 HIS 139 .1408 .2086 999.9900 999.9900 .6686 .3393 .7056 .7028 .7040 .4853 140 LYS 140 .2805 -.1697 999.9900 -.4035 .8827 .0373 .7065 .7027 .7042 .2279 141 LYS 141 -.1232 -2.1617 999.9900 -.4035 .8827 -.4418 .7069 .7030 .7046 -.1142 142 LYS 142 .9451 -.6131 999.9900 -.4035 .7460 .0542 .7066 .7016 .7037 .2399 143 PHE 143 -.0639 -.6612 999.9900 999.9900 .7573 .0107 .7059 .7034 .7044 .2883 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7064 .7064 .7064 .4108 145 GLU 145 -.1187 -.7564 999.9900 -1.0323 .3568 -.3877 .7060 .7016 .7034 -.0239 146 THR 146 -.3004 999.9900 .2916 999.9900 .4476 .1463 .7067 .7061 .7064 .3703 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7063 .7015 .7035 -.2796 148 LYS 148 1.0429 -1.4228 999.9900 -.4035 .8827 -.0609 .7062 .7025 .7040 .1578 149 LYS 149 .6780 .6318 999.9900 -.0770 .8827 .4077 .7065 .7024 .7041 .4925 150 ILE 150 .5785 .8237 999.9900 999.9900 1.0081 .8035 .7067 .7059 .7063 .7646 151 MET 151 .8434 -.2892 999.9900 .9587 .5203 .5083 .7061 .7039 .7048 .5739 152 GLU 152 .6116 -1.3804 999.9900 .3501 .6899 .0678 .7061 .7030 .7043 .2800 153 CYS 153 1.0802 999.9900 .8629 999.9900 .9108 .9513 .7062 .7037 .7047 .8527 154 LYS 154 -.0075 -1.0793 999.9900 -.0397 .8827 -.0567 .7068 .7031 .7046 .1609 155 LYS 155 -3.5196 -1.9682 999.9900 .3240 .8827 -.7914 .7069 .7029 .7046 -.3639 156 LYS 156 -.4160 -.6840 999.9900 .4405 .8827 .1328 .7069 .6612 .6802 .2903 157 PRO 157 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .7063 .6129 .6518 .2935 158 GLN 158 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7064 .7031 .7045 -.4325 159 GLY 159 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7065 .7042 .7052 .2921 160 GLN 160 -.3431 .1368 999.9900 1.3059 .5113 .4027 .7059 .7034 .7045 .5034 161 GLY 161 -2.9723 999.9900 999.9900 999.9900 .8277 -1.0723 .7067 .7052 .7059 -.1832 162 ASN 162 -2.3558 -1.0869 999.9900 999.9900 .7518 -.8970 .7064 .7026 .7042 -.2564 163 ASP 163 -2.8635 -3.1847 999.9900 999.9900 .8104 -1.7459 .7056 .7037 .7045 -.7657 164 ASP 164 -2.8635 -1.3712 999.9900 999.9900 .8104 -1.1414 .7058 .7033 .7043 -.4030 165 ILE 165 -4.2337 -2.6526 999.9900 999.9900 .4912 -2.1317 .7067 .7063 .7065 -.9964 166 SER 166 -.7578 999.9900 -.7153 999.9900 .6705 -.2675 .7066 .7034 .7047 .1215 167 HIS 167 -1.2838 -.9211 999.9900 999.9900 .6686 -.5121 .7052 .7033 .7041 -.0256 168 VAL 168 -.7132 999.9900 .1416 999.9900 .7810 .0698 .7056 .7054 .7055 .3241 169 LEU 169 -.8682 -2.9612 999.9900 999.9900 .9565 -.9576 .7064 .7029 .7043 -.2927 170 ARG 170 -2.9267 -.0787 999.9900 .1593 .8581 -.3657 .7063 .7036 .7047 -.0598 171 GLU 171 -3.2255 -2.8418 999.9900 .3501 .6899 -1.2568 .7062 .7042 .7050 -.6028 172 ASP 172 -1.9072 -1.7735 999.9900 999.9900 .7118 -.9896 .7064 .7044 .7052 -.3116 173 GLN 173 999.9900 -1.3011 999.9900 1.3059 999.9900 .0024 .7059 .7023 .7039 .3533 Means: -.7530 -1.2764 -.1847 .1591 .7383 -.2558 .7063 .6980 .7015 .1069 2.00 analyzed_20