NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9683 8.2133 109.7360 45.6456 0.0000 174.2364 5 S 4.1872 8.7181 114.8419 60.4148 63.1329 172.8550 6 I 4.7984 6.9169 120.0040 58.3575 41.4944 173.6227 7 P 4.5940 0.0000 0.0000 63.0968 32.4433 174.7380 8 D 5.3806 8.4959 119.8439 51.8127 42.6344 174.5235 9 I 4.6927 8.6372 119.9622 59.5748 41.7966 173.4089 10 N 5.6158 8.8220 124.9048 51.9395 40.7813 174.0414 11 A 4.7190 8.8921 122.6848 50.6467 23.4560 174.8818 12 Y 5.0036 8.1033 117.8140 57.1040 39.8998 175.7406 13 T 4.2347 8.9568 120.3713 65.6334 69.0474 175.5952 14 G 4.4689 9.3804 114.2683 45.8672 0.0000 173.4473 15 S 4.6847 7.9165 115.1911 57.5674 65.6901 172.4579 16 N 5.5144 8.5989 116.7332 51.6712 40.4853 175.1339 17 V 4.5549 8.7041 121.0223 60.1923 35.4100 174.2665 18 T 4.5671 8.2872 117.7896 61.6969 71.1750 173.4774 19 L 4.3778 8.4755 127.0314 52.9562 43.3345 175.6083 20 K 4.7278 8.3962 125.2015 54.9909 34.0878 175.7280 21 I 4.2108 8.8025 128.4208 63.7409 38.9308 176.4204 22 H 4.8917 7.6073 123.9326 55.5502 26.9782 176.0846 *26 L 4.0063 8.5857 129.1514 55.5070 41.3481 178.2245 27 G 3.9394 8.1434 109.7259 44.3111 0.0000 171.7811 28 P 4.1787 0.0000 0.0000 62.7037 31.8066 175.0995 29 Y 4.8836 7.1469 117.1562 55.5689 41.4034 174.9220 30 R 4.3613 9.1112 119.8840 58.2079 32.0773 176.7135 31 R 5.2794 7.9248 117.1136 55.0897 33.9459 173.7798 32 I 4.9970 9.0334 125.9243 59.7832 40.8018 174.5173 33 T 5.1432 8.8943 122.9673 61.5809 72.0329 172.8382 34 W 5.2511 9.2418 125.9162 55.0475 31.8042 175.1193 35 L 5.2721 9.4594 123.3708 53.1900 45.7991 174.9088 36 H 4.2233 8.9177 121.9437 55.5707 30.9381 171.3365 37 T 3.3371 8.6197 118.5894 62.4786 69.2258 171.5054 *40 Q 3.9433 7.4824 123.9339 54.3886 29.8313 175.1031 41 K 4.3214 8.2650 125.2441 56.7522 33.0843 176.3270 42 I 4.5921 8.9886 123.8953 62.5212 38.9432 175.4866 43 L 5.4997 7.7658 119.9071 54.8358 44.1202 173.3337 44 E 5.3198 9.7385 120.6568 54.8648 33.5981 173.4219 45 Y 5.4737 9.4060 127.3016 56.1134 42.2919 173.4933 46 N 5.0370 9.1472 125.2099 51.7537 40.3007 174.1480 47 Y 3.3159 8.5242 126.5720 58.2515 39.4817 175.4532 48 N 4.1132 7.5348 122.8315 53.6215 37.7108 174.2830 49 S 4.2158 7.6588 113.9394 57.6473 64.7486 173.1919 50 T 4.2752 8.5470 108.5219 61.4705 70.1955 173.7677 51 K 5.2853 8.7315 124.9862 55.1076 34.7322 175.0460 52 T 4.6399 9.3703 123.7677 61.7600 72.0898 172.7534 53 I 4.7472 8.2307 126.1766 59.7359 39.0261 175.4362 54 F 4.5028 8.7314 125.2215 55.8346 40.7476 175.5087 55 E 4.0215 8.8942 122.1385 56.9804 29.6993 176.0245 56 S 4.6614 8.1773 119.3817 57.6715 65.3502 175.7386 57 E 4.0245 8.8291 119.4661 58.4390 29.2470 178.0542 58 F 4.4966 8.4833 117.3270 57.2429 39.9114 175.7995 59 K 4.0506 7.6525 122.3937 58.1887 32.1130 176.9352 60 G 4.0484 9.2011 113.9322 45.5912 0.0000 173.5696 61 R 4.8035 8.4437 117.3463 54.8128 32.0214 175.4622 62 V 5.6267 8.1022 111.3617 58.8828 35.7129 174.1657 63 Y 4.9285 7.9691 119.6556 55.8160 41.7737 172.8145 64 L 5.0326 8.4815 122.0407 53.3155 44.2668 175.4977 65 E 4.3763 9.1361 126.6958 56.0185 28.3751 177.8132 66 E 4.2872 9.0730 125.5653 59.1776 29.9630 179.1241 67 N 4.8297 8.2998 115.2962 55.3625 38.8464 175.2477 68 N 4.9251 7.7113 109.4223 51.6924 39.1602 175.4143 69 G 3.9673 8.8701 107.8880 45.1415 0.0000 173.8240 70 A 4.3824 8.4267 122.6441 52.0590 19.8541 176.2328 71 L 4.3269 8.1707 123.8792 53.5692 44.0102 174.7452 72 H 4.9220 8.5867 123.8129 54.0353 31.1650 173.8269 73 I 5.0461 8.3994 123.6363 59.5612 40.2739 174.9205 74 S 4.8757 9.3731 122.5947 56.9680 65.6802 173.0240 75 N 4.2434 8.8107 117.9901 54.3244 37.3814 173.9536 76 V 4.0653 8.5052 119.8729 63.2938 32.8359 175.0528 77 R 4.9305 8.9644 125.8674 53.9836 32.7286 177.2481 78 K 3.8449 8.6525 119.6113 59.9386 32.1189 178.9690 79 E 4.1919 7.9800 115.8031 58.2664 29.5426 177.3869 80 D 4.5914 8.1622 118.7715 55.3779 41.1942 176.9714 81 K 4.1695 7.6061 118.6166 57.5150 33.2557 176.7783 82 G 3.7234 8.0554 106.4005 44.7144 0.0000 171.8178 83 T 4.8452 8.2893 116.5658 62.6537 70.3616 173.8015 84 Y 5.1300 9.2918 123.7771 56.4965 41.3049 174.2170 85 Y 5.0054 9.1915 119.8152 56.3377 41.6501 174.2260 86 M 4.1709 8.9759 124.0602 53.4661 34.8378 174.2145 87 R 4.9418 8.7046 126.0354 54.3654 32.9534 175.1770 88 V 4.5763 8.3867 124.1883 60.9242 34.2157 173.9045 89 L 4.8603 9.0869 131.2560 53.6360 43.3111 176.0626 90 R 4.8309 8.7827 124.5634 56.4172 29.7158 178.4628 91 E 4.1284 9.3336 127.4383 59.4405 29.7779 176.1916 92 T 4.6670 7.5602 106.8579 59.5575 72.1001 171.5144 93 E 4.9208 8.5685 122.7530 54.8160 30.8903 174.5375 94 N 4.9533 8.9314 125.8133 52.1181 41.7646 172.8904 95 E 5.1081 8.5654 123.2947 54.3828 32.3558 174.7635 96 L 4.8954 9.0662 126.4094 52.8991 45.2312 175.5487 97 K 4.9523 8.2458 119.3125 55.0225 36.0771 175.4332 98 I 4.6963 8.2672 121.0258 60.2830 42.0204 173.3343 99 T 5.1752 8.9723 119.1644 59.9039 71.8367 172.7314 100 L 5.2799 9.1143 125.3844 53.3139 45.2480 174.5001 101 E 4.8185 9.0363 126.6951 54.2422 32.4055 174.4355 102 V 4.7796 7.9259 125.5565 60.9998 34.2082 174.3604 103 F 4.8934 8.9586 126.1441 55.5082 42.1547 175.3689 104 D 4.8968 8.8445 121.4036 54.1728 40.7393 176.1862 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 G 8.21 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.72 4.19 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 6.92 4.80 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.89 0.00 0.00 7 P 0.00 4.59 0.00 2.10 2.17 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 8 D 8.50 5.38 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.64 4.69 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.42 0.92 0.00 0.00 10 N 8.82 5.62 0.00 2.63 2.88 0.00 0.00 6.69 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.89 4.72 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.10 5.00 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.96 4.23 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 14 G 9.38 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.92 4.68 0.00 4.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.60 5.51 0.00 2.63 2.77 0.00 0.00 6.61 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.70 4.55 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.83 0.00 0.00 18 T 8.29 4.57 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 19 L 8.48 4.38 0.00 0.71 1.38 -0.27 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.40 4.73 0.00 1.68 1.65 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.50 7.81 21 I 8.80 4.21 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.80 0.00 0.00 22 H 7.61 4.89 0.00 3.13 2.75 0.00 5.93 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 L 8.59 4.01 0.00 1.56 1.55 0.62 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.14 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.18 0.00 2.04 1.89 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 29 Y 7.15 4.88 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 9.11 4.36 0.00 1.90 2.02 0.00 3.13 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 31 R 7.92 5.28 0.00 1.89 1.75 0.00 3.18 0.00 0.00 3.52 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 32 I 9.03 5.00 1.91 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.16 0.83 0.00 0.00 33 T 8.89 5.14 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 34 W 9.24 5.25 0.00 3.30 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.46 5.27 0.00 1.68 1.73 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.92 4.22 0.00 2.47 3.11 0.00 6.07 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.62 3.34 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 *40 Q 7.48 3.94 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 7.13 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 41 K 8.26 4.32 0.00 0.79 0.74 0.00 1.10 0.00 0.00 1.18 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.14 1.11 7.81 42 I 8.99 4.59 2.01 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.12 0.83 0.00 0.00 43 L 7.77 5.50 0.00 2.08 1.90 1.19 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.74 5.32 0.00 2.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 45 Y 9.41 5.47 0.00 3.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.15 5.04 0.00 2.60 2.66 0.00 0.00 6.19 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.52 3.32 0.00 2.45 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 7.53 4.11 0.00 2.71 2.74 0.00 0.00 6.73 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.66 4.22 0.00 3.74 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.55 4.28 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 51 K 8.73 5.29 0.00 1.89 1.75 0.00 1.62 0.00 0.00 1.23 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.71 7.81 52 T 9.37 4.64 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 53 I 8.23 4.75 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 1.00 0.00 0.00 54 F 8.73 4.50 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.89 4.02 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 56 S 8.18 4.66 0.00 4.23 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.83 4.02 0.00 1.41 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 58 F 8.48 4.50 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.65 4.05 0.00 2.02 1.91 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.47 7.81 60 G 9.20 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.44 4.80 0.00 1.93 2.10 0.00 3.31 0.00 0.00 3.25 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 62 V 8.10 5.63 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.03 0.00 0.00 63 Y 7.97 4.93 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.48 5.03 0.00 1.72 1.63 1.22 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.14 4.38 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 66 E 9.07 4.29 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.18 0.00 67 N 8.30 4.83 0.00 2.82 2.98 0.00 0.00 6.66 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.71 4.93 0.00 2.77 2.90 0.00 0.00 7.08 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.43 4.38 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.17 4.33 0.00 0.27 0.13 0.50 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.59 4.92 0.00 1.84 2.76 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.40 5.05 1.78 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 1.08 0.00 0.00 74 S 9.37 4.88 0.00 3.96 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.81 4.24 0.00 2.97 2.81 0.00 0.00 7.03 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.51 4.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 77 R 8.96 4.93 0.00 1.81 1.75 0.00 3.15 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 78 K 8.65 3.84 0.00 1.80 1.85 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.60 7.81 79 E 7.98 4.19 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 80 D 8.16 4.59 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.61 4.17 0.00 1.87 1.86 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.41 7.81 82 G 8.06 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.29 4.85 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 84 Y 9.29 5.13 0.00 2.93 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.19 5.01 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.98 4.17 0.00 1.33 0.57 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.85 0.00 87 R 8.70 4.94 0.00 1.65 1.85 0.00 3.05 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 88 V 8.39 4.58 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.76 0.00 0.00 89 L 9.09 4.86 0.00 1.77 1.57 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.78 4.83 0.00 1.81 1.05 0.00 3.22 0.00 0.00 3.23 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 91 E 9.33 4.13 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 92 T 7.56 4.67 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 93 E 8.57 4.92 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 94 N 8.93 4.95 0.00 2.86 2.61 0.00 0.00 6.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.57 5.11 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 96 L 9.07 4.90 0.00 1.37 1.40 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.25 4.95 0.00 1.49 1.42 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.08 1.37 7.81 98 I 8.27 4.70 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 1.09 0.00 0.00 99 T 8.97 5.18 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 100 L 9.11 5.28 0.00 1.73 1.76 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 101 E 9.04 4.82 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.99 0.00 102 V 7.93 4.78 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 0.00 0.00 103 F 8.96 4.89 0.00 2.70 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.84 4.90 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.