1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7070 .7064 .7067 .7339 2 HIS 2 -1.1190 .0128 999.9900 999.9900 .6686 -.1459 .7050 .7041 .7044 .1943 3 HIS 3 -1.6168 -.3484 999.9900 999.9900 .6686 -.4322 .7056 .7033 .7043 .0225 4 HIS 4 -1.1973 1.1064 999.9900 999.9900 .6686 .1926 .7061 .7035 .7046 .3975 5 HIS 5 -.3228 -3.1083 999.9900 999.9900 .6686 -.9208 .7055 .7030 .7041 -.2708 6 HIS 6 -1.4902 -.7214 999.9900 999.9900 .6686 -.5143 .7057 .7037 .7045 -.0267 7 HIS 7 -2.5191 .7452 999.9900 999.9900 .6686 -.3684 .7045 .7029 .7035 .0604 8 LEU 8 -1.3472 -1.3818 999.9900 999.9900 .9565 -.5908 .7063 .7026 .7041 -.0727 9 GLU 9 -1.8465 -2.3808 999.9900 .3501 .6899 -.7968 .7053 .7039 .7045 -.2964 10 CYS 10 -.5628 999.9900 .1296 999.9900 .4013 -.0106 .7066 .7034 .7047 .2756 11 SER 11 -3.2405 999.9900 -.7153 999.9900 .8922 -1.0212 .7068 .7031 .7046 -.3308 12 SER 12 .8760 999.9900 -.7153 999.9900 .6705 .2770 .7056 .7035 .7044 .4481 13 ASP 13 -3.3417 -1.8420 999.9900 999.9900 .7118 -1.4906 .7063 .7034 .7046 -.6124 14 SER 14 -1.4442 999.9900 -.7153 999.9900 .6705 -.4964 .7065 .7027 .7043 -.0160 15 LEU 15 -3.7702 -2.5464 999.9900 999.9900 .9565 -1.7867 .7065 .7025 .7042 -.7902 16 GLN 16 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7067 .7026 .7043 -.4326 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7062 .7023 .7040 -.0273 18 HIS 18 -.6701 -.3484 999.9900 999.9900 .6686 -.1166 .7064 .7037 .7048 .2120 19 ASN 19 -.7163 -1.5725 999.9900 999.9900 .8079 -.4936 .7059 .7020 .7036 -.0146 20 VAL 20 .0429 999.9900 -.2457 999.9900 .7810 .1928 .7063 .7053 .7057 .3980 21 PHE 21 -.2560 .3192 999.9900 999.9900 .7573 .2735 .7066 .7043 .7053 .4463 22 VAL 22 -2.6451 999.9900 -.5532 999.9900 .8778 -.7735 .7067 .7064 .7065 -.1815 23 TYR 23 -3.6999 -1.5559 999.9900 999.9900 .5630 -1.5643 .7066 .7032 .7046 -.6566 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7068 .7050 .7058 -.3117 25 SER 25 .9506 999.9900 -.7153 999.9900 .6705 .3019 .7067 .7030 .7045 .4631 26 PHE 26 -2.5364 .3397 999.9900 999.9900 .7573 -.4798 .7069 .7033 .7048 -.0058 27 GLN 27 .3572 -2.6982 999.9900 1.3059 .5113 -.1310 .7062 .7035 .7046 .1476 28 ASP 28 -.5526 -1.6521 999.9900 999.9900 .8104 -.4648 .7061 .6597 .6790 -.0057 29 PRO 29 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7070 .6095 .6502 .3402 30 ASP 30 1.1359 -.4551 999.9900 999.9900 .8104 .4971 .7064 .7039 .7050 .5803 31 VAL 31 .3707 999.9900 .5873 999.9900 .7810 .5797 .7062 .7056 .7058 .6302 32 ILE 32 .6852 -1.0628 999.9900 999.9900 .6034 .0753 .7064 .7065 .7065 .3277 33 ASN 33 .9642 -2.7010 999.9900 999.9900 .8079 -.3096 .7063 .7030 .7044 .0961 34 VAL 34 .3707 999.9900 -1.0788 999.9900 .8960 .0626 .7067 .7065 .7066 .3202 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7063 .7043 .7051 .1482 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7064 .7027 .7043 -.8978 37 ASP 37 -3.3417 -2.4630 999.9900 999.9900 .7118 -1.6976 .7065 .7045 .7053 -.7364 38 ARG 38 -1.6049 -1.4154 999.9900 .1593 .8581 -.3687 .7061 .7027 .7041 -.0621 39 THR 39 -.6341 999.9900 1.1473 999.9900 .4476 .3203 .7067 .6579 .6782 .4651 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7059 .6073 .6484 .5456 41 GLU 41 -.6811 -2.1111 999.9900 -1.0323 .6899 -.7837 .7066 .7036 .7048 -.2874 42 ILE 42 -.2252 -2.2551 999.9900 999.9900 1.0081 -.4907 .7068 .7062 .7065 -.0118 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7065 .7062 .7063 .2576 44 SER 44 -.7578 999.9900 -.7153 999.9900 .7781 -.2317 .7067 .7024 .7042 .1428 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .7458 .0974 .7058 .7043 .7050 .4013 46 THR 46 .4548 999.9900 .8779 999.9900 .4476 .5934 .7061 .7063 .7062 .6385 47 LEU 47 -2.5767 -.7461 999.9900 999.9900 .8331 -.8299 .7066 .6559 .6770 -.2255 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7059 .6157 .6533 .5477 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .7067 .7057 .7061 .8080 50 PHE 50 -.0803 -.1548 999.9900 999.9900 .7573 .1741 .7066 .7025 .7042 .3863 51 GLN 51 -.3034 -.2368 999.9900 1.3059 .7898 .3889 .7065 .7030 .7045 .4942 52 ARG 52 -.3136 -2.8571 999.9900 .1593 .8581 -.3988 .7063 .7017 .7036 -.0837 53 PHE 53 -.0244 -1.5308 999.9900 999.9900 .7573 -.2660 .7062 .7021 .7038 .1220 54 ARG 54 -.7228 -1.3337 999.9900 .1593 .8581 -.1760 .7060 .7031 .7043 .0756 55 LEU 55 -3.7702 .5315 999.9900 999.9900 .8331 -.8018 .7068 .7028 .7045 -.1992 56 LYS 56 -1.3259 -2.4344 999.9900 .1731 .8827 -.5063 .7068 .7025 .7043 -.1603 57 GLY 57 -1.8567 999.9900 999.9900 999.9900 .8277 -.5145 .7060 .7049 .7054 .0955 58 ARG 58 -1.4842 -2.3766 999.9900 .1593 .8581 -.5368 .7056 .7042 .7048 -.1820 59 LEU 59 -.8682 -.0082 999.9900 999.9900 .9565 .0267 .7053 .7024 .7036 .2976 60 TYR 60 -.6610 -4.1972 999.9900 999.9900 .5630 -1.4317 .7064 .6569 .6775 -.5864 61 PRO 61 -2.5362 999.9900 999.9900 999.9900 .4496 -1.0433 .7063 .6122 .6514 -.1920 62 CYS 62 -2.4999 999.9900 .1296 999.9900 .9108 -.4865 .7065 .7036 .7048 -.0099 63 ILE 63 -.1366 -.0177 999.9900 999.9900 1.0081 .2846 .7070 .7059 .7063 .4533 64 VAL 64 -.3288 999.9900 -1.0788 999.9900 .7810 -.2088 .7064 .6525 .6750 .1465 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7066 .6105 .6505 .5055 66 SER 66 .0184 999.9900 -.7153 999.9900 .6705 -.0088 .7066 .7020 .7039 .2764 67 GLU 67 1.0761 -.3402 999.9900 -1.0323 .6899 .0984 .7062 .7020 .7037 .3003 68 LYS 68 -3.5196 .6283 999.9900 .1731 .7460 -.3598 .7063 .7028 .7043 -.0557 69 GLY 69 -1.2645 999.9900 999.9900 999.9900 .8277 -.2184 .7065 .7044 .7054 .2435 70 GLU 70 -.4325 -.8169 999.9900 -1.0323 .6899 -.3980 .7067 .7038 .7050 -.0302 71 VAL 71 .3372 999.9900 .5873 999.9900 .7810 .5685 .7060 .7061 .7061 .6235 72 HIS 72 -.2681 -1.5062 999.9900 999.9900 .6686 -.3686 .7058 .7040 .7047 .0608 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7063 .7057 .7059 -.0645 74 LYS 74 -.3223 -2.1617 999.9900 -.0397 .8827 -.3362 .7067 .7034 .7048 -.0387 75 VAL 75 .5332 999.9900 -1.0788 999.9900 .7810 .0785 .7066 .7058 .7062 .3296 76 LEU 76 -.7094 -1.6805 999.9900 999.9900 .8331 -.5189 .7061 .7031 .7044 -.0295 77 MET 77 -.9371 -.6258 999.9900 .9587 .5203 -.0210 .7063 .7033 .7045 .2209 78 GLY 78 .6263 999.9900 999.9900 999.9900 .7883 .7073 .7069 .7050 .7059 .7066 79 VAL 79 -.6396 999.9900 -1.0788 999.9900 .7810 -.3124 .7067 .7046 .7055 .0948 80 THR 80 -.1761 999.9900 -.8810 999.9900 .7246 -.1109 .7066 .7066 .7066 .2161 81 SER 81 .7360 999.9900 -.7153 999.9900 .6705 .2304 .7061 .7022 .7038 .4199 82 ASP 82 .8349 -1.2276 999.9900 999.9900 .8104 .1392 .7062 .7037 .7048 .3655 83 GLU 83 .1025 -1.9198 999.9900 -1.0323 .6899 -.5399 .7059 .7037 .7046 -.1250 84 LEU 84 .8182 .2515 999.9900 999.9900 .8331 .6343 .7069 .7037 .7050 .6627 85 GLU 85 .8733 -2.1111 999.9900 -1.0323 .6899 -.3951 .7062 .7038 .7048 -.0284 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7058 .7032 .7043 -.0467 87 LEU 87 .8442 .6031 999.9900 999.9900 .8331 .7601 .7054 .7022 .7035 .7376 88 ASP 88 .9343 -.2316 999.9900 999.9900 .8104 .5044 .7064 .7034 .7046 .5846 89 ALA 89 .3637 999.9900 999.9900 999.9900 .7458 .5548 .7065 .7050 .7057 .6303 90 VAL 90 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .7064 .7064 .7064 .4323 91 GLU 91 -.1289 -1.0866 999.9900 -1.0323 .6899 -.3895 .7041 .7028 .7034 -.0251 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7066 .7057 .7061 .4735 93 ASN 93 .9642 -3.3254 999.9900 999.9900 .7518 -.5365 .7064 .7027 .7042 -.0401 94 GLU 94 -2.8104 .1208 999.9900 -1.0323 .3568 -.8413 .7049 .7029 .7037 -.3262 95 TYR 95 .3271 .2775 999.9900 999.9900 .5630 .3892 .7058 .7038 .7046 .5154 96 GLU 96 -.5863 -.8834 999.9900 -1.0323 .6899 -.4530 .7067 .7028 .7044 -.0671 97 ARG 97 -.3136 .4266 999.9900 .1593 .8581 .2580 .7064 .7029 .7044 .3856 98 VAL 98 -.0523 999.9900 -1.0788 999.9900 .7810 -.1167 .7063 .7052 .7057 .2123 99 THR 99 .0466 999.9900 -.8810 999.9900 .9813 .0490 .7063 .7060 .7061 .3118 100 VAL 100 -.7132 999.9900 -.5532 999.9900 .7810 -.1618 .7067 .7054 .7059 .1854 101 GLY 101 -.9638 999.9900 999.9900 999.9900 .7883 -.0878 .7062 .7043 .7051 .3087 102 ILE 102 -.7823 -2.4201 999.9900 999.9900 1.0081 -.7314 .7068 .7063 .7065 -.1562 103 VAL 103 -.4337 999.9900 -.0276 999.9900 .7810 .1066 .7070 .7058 .7063 .3465 104 ARG 104 -.4945 -1.6149 999.9900 .1593 .6728 -.2236 .7062 .7025 .7040 .0415 105 GLU 105 -.4382 .6194 999.9900 -1.0323 .6899 -.0403 .7055 .7021 .7035 .2077 106 ASP 106 -.8696 -2.0928 999.9900 999.9900 .7118 -.7502 .7065 .7035 .7048 -.1681 107 ASN 107 -.7903 -1.1653 999.9900 999.9900 .6279 -.4426 .7065 .7032 .7046 .0164 108 SER 108 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .7067 .7029 .7045 -.4790 109 GLU 109 -.3533 .6687 999.9900 -1.0323 .6899 -.0067 .7064 .7025 .7041 .2303 110 LYS 110 -.2741 -1.3520 999.9900 .3240 .8827 -.0191 .7064 .7032 .7045 .1878 111 MET 111 -.4857 -2.5481 999.9900 .9587 .5203 -.3887 .7067 .7031 .7046 -.0242 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7068 .7051 .7058 .3111 113 VAL 113 -.7132 999.9900 -.5532 999.9900 .8960 -.1234 .7065 .7052 .7058 .2083 114 LYS 114 -.3038 -.5490 999.9900 .9771 .7460 .3695 .7058 .7017 .7034 .4650 115 THR 115 -.0676 999.9900 -.2947 999.9900 .7246 .1207 .7051 .7057 .7054 .3546 116 TYR 116 .0214 -1.3592 999.9900 999.9900 .8158 -.1740 .7068 .7029 .7045 .1775 117 MET 117 -.8637 -2.5481 999.9900 .9587 .5203 -.4832 .7060 .7030 .7043 -.0873 118 TRP 118 -.4879 -3.3859 999.9900 999.9900 .9378 -.9787 .7067 .7037 .7050 -.3051 119 ILE 119 1.0115 -1.9342 999.9900 999.9900 .6034 -.1064 .7060 .7062 .7061 .2186 120 ASN 120 1.0488 -2.7010 999.9900 999.9900 .7518 -.3001 .7066 .7022 .7041 .1017 121 LYS 121 -1.9503 .1550 999.9900 -.4035 .8827 -.3439 .7067 .7028 .7044 -.0443 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7068 .7053 .7059 -.3267 123 ASP 123 -.7799 -3.7306 999.9900 999.9900 .8104 -1.2334 .7064 .6529 .6752 -.4682 124 PRO 124 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7066 .6118 .6513 .4046 125 ASP 125 -2.8635 .4993 999.9900 999.9900 .8104 -.5180 .7061 .7036 .7046 -.0288 126 MET 126 -1.1708 -2.5481 999.9900 .9587 .8447 -.4789 .7066 .7035 .7048 -.0843 127 PHE 127 -3.6149 -2.6964 999.9900 999.9900 .7573 -1.8513 .7055 .7037 .7045 -.8289 128 GLY 128 -.0934 999.9900 999.9900 999.9900 .8277 .3671 .7059 .7045 .7051 .5362 129 GLU 129 -.5863 -1.1358 999.9900 .3501 .6899 -.1705 .7063 .7031 .7044 .1212 130 TRP 130 -.4195 -1.9067 999.9900 999.9900 .9378 -.4628 .7054 .7039 .7046 .0042 131 ASN 131 .6639 -3.3254 999.9900 999.9900 .7518 -.6365 .7067 .7021 .7040 -.1002 132 PHE 132 .4032 -2.5581 999.9900 999.9900 .8629 -.4307 .7065 .7034 .7047 .0236 133 GLU 133 .6116 .6194 999.9900 -1.0323 .3568 .1389 .7050 .7030 .7038 .3272 134 GLU 134 .6116 .6653 999.9900 .3501 .6899 .5792 .7054 .7026 .7038 .6208 135 TRP 135 1.0343 -1.6686 999.9900 999.9900 .9378 .1012 .7066 .7042 .7052 .3428 136 LYS 136 .9451 -1.5020 999.9900 -.4035 .7460 -.1236 .7067 .7036 .7049 .1132 137 ARG 137 1.0056 -.8157 999.9900 .1593 .8581 .2733 .7055 .7030 .7040 .3965 138 LEU 138 -.2213 -1.6805 999.9900 999.9900 .8331 -.3562 .7062 .7025 .7040 .0680 139 HIS 139 .4898 -1.7284 999.9900 999.9900 .6686 -.1900 .7063 .7035 .7047 .1680 140 LYS 140 .2805 -.1697 999.9900 -.4035 .8827 .0373 .7064 .7030 .7044 .2280 141 LYS 141 -.1232 -1.5918 999.9900 -.0397 .8827 -.1824 .7063 .7025 .7041 .0710 142 LYS 142 .9451 .4603 999.9900 -.4035 .7460 .2689 .7069 .7026 .7044 .3934 143 PHE 143 -.0639 -3.3183 999.9900 999.9900 .7573 -.8750 .7069 .7025 .7043 -.2431 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7059 .7059 .7059 .4106 145 GLU 145 -.1187 -1.4588 999.9900 .3501 .6899 -.1344 .7055 .7027 .7039 .1451 146 THR 146 -.3004 999.9900 .2916 999.9900 .4476 .1463 .7066 .7058 .7062 .3703 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7064 .7022 .7039 -.2795 148 LYS 148 1.0429 -1.3520 999.9900 .1731 .8827 .1839 .7065 .7029 .7044 .3327 149 LYS 149 .6780 -2.1617 999.9900 -.4035 .8827 -.2816 .7067 .7029 .7045 .0002 150 ILE 150 .2963 .8778 999.9900 999.9900 1.0081 .7274 .7068 .7064 .7066 .7191 151 MET 151 .8434 -2.0676 999.9900 .9587 .5203 .0637 .7065 .7031 .7045 .2774 152 GLU 152 .8733 -.9977 999.9900 -1.0323 .6899 -.1167 .7062 .7032 .7044 .1571 153 CYS 153 1.0802 999.9900 .1296 999.9900 .9108 .7069 .7065 .7030 .7045 .7060 154 LYS 154 1.2214 -.8858 999.9900 .8043 .8827 .5654 .7064 .7023 .7040 .6051 155 LYS 155 -3.5196 -.8217 999.9900 -.4035 .8827 -.8531 .7068 .7030 .7046 -.4080 156 LYS 156 -3.5196 -1.8181 999.9900 -.0397 .8827 -.9069 .7066 .6550 .6765 -.4533 157 PRO 157 -2.5362 999.9900 999.9900 999.9900 .4496 -1.0433 .7065 .6114 .6510 -.1922 158 GLN 158 -1.7386 -2.6982 999.9900 1.3059 .5113 -.6549 .7067 .7029 .7045 -.2017 159 GLY 159 -1.3851 999.9900 999.9900 999.9900 .8277 -.2787 .7069 .7044 .7055 .2135 160 GLN 160 -.8152 -1.1512 999.9900 1.3059 .5113 -.0373 .7063 .7030 .7044 .2100 161 GLY 161 -2.0431 999.9900 999.9900 999.9900 .8277 -.6077 .7067 .7051 .7058 .0491 162 ASN 162 -2.3558 -2.0766 999.9900 999.9900 .8079 -1.2082 .7058 .7032 .7043 -.4431 163 ASP 163 -1.0941 -2.3194 999.9900 999.9900 .8104 -.8677 .7069 .7039 .7052 -.2385 164 ASP 164 -.5648 -.8253 999.9900 999.9900 .8104 -.1932 .7064 .7039 .7050 .1661 165 ILE 165 -4.2337 -3.0500 999.9900 999.9900 .4912 -2.2642 .7070 .7063 .7066 -1.0758 166 SER 166 -.4495 999.9900 .3727 999.9900 .6705 .1979 .7068 .7031 .7046 .4007 167 HIS 167 -2.5191 -1.7284 999.9900 999.9900 .6686 -1.1929 .7060 .7043 .7050 -.4337 168 VAL 168 .0815 999.9900 -.2457 999.9900 .7810 .2056 .7070 .7054 .7061 .4058 169 LEU 169 -1.2966 -.8871 999.9900 999.9900 .8331 -.4502 .7064 .7025 .7042 .0117 170 ARG 170 -.8053 -1.2607 999.9900 .6901 .8581 .0344 .7066 .7029 .7044 .2260 171 GLU 171 -1.1499 -2.1111 999.9900 .3501 .6899 -.5552 .7063 .7026 .7041 -.1354 172 ASP 172 -.5288 -2.6388 999.9900 999.9900 .8104 -.7857 .7063 .7041 .7050 -.1894 173 GLN 173 999.9900 -2.6982 999.9900 1.3059 999.9900 -.6962 .7070 .7004 .7032 .0038 Means: -.6575 -1.3962 -.4017 .0897 .7423 -.2722 .7063 .6979 .7014 .0966 2.00 analyzed_10