NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8186 8.3393 109.7394 45.2850 0.0000 172.4799 *2 V 3.8858 8.1383 119.1470 61.6390 32.4920 174.0448 3 Y 4.3025 8.5279 123.8953 56.2779 39.7865 174.7266 4 V 4.4619 7.5692 125.8187 60.1326 34.0460 175.3475 5 D 4.7300 8.7916 127.3535 52.6360 41.3534 175.2048 6 P 4.2525 0.0000 0.0000 66.1300 31.2347 178.6479 7 D 4.3910 8.1290 116.9174 57.4963 40.7814 178.7750 8 R 3.9222 8.1228 119.1053 59.3019 29.9923 178.2759 9 F 4.0471 8.6210 120.8360 61.3594 39.3726 176.6335 10 D 4.3987 8.4502 118.5851 57.6231 40.6200 178.8508 11 E 3.9510 7.8689 118.8484 59.3543 29.3809 179.3721 12 L 3.8721 7.9437 119.1055 57.6071 41.5117 179.6602 13 V 3.3436 7.7905 118.3265 65.8457 31.3351 177.9013 14 A 3.8970 7.9142 120.4119 55.2137 18.0040 179.2510 15 E 3.8062 7.9640 116.4385 59.1247 29.8392 178.5492 16 A 4.1114 8.1362 121.0850 55.2491 18.4834 179.6862 17 L 3.9371 8.1209 117.7105 58.0347 41.4720 179.4719 18 D 4.5449 8.3155 118.2229 56.6110 40.7766 178.0593 19 G 4.0305 7.3937 103.4244 43.3421 0.0000 173.9016 20 I 3.8551 7.1313 122.8270 60.5352 37.7728 174.4768 21 P 4.5265 0.0000 0.0000 62.5601 32.1535 177.3142 22 E 4.0263 8.9265 121.1848 59.4077 29.0913 179.4552 23 E 3.9156 8.1015 116.1870 58.3363 29.7800 177.9007 24 F 4.6626 8.0506 117.2438 57.2964 39.2827 177.4521 25 A 3.9979 7.6066 121.2695 55.3279 18.3722 178.9104 26 R 3.9283 7.9155 115.4881 59.4077 30.3438 178.9100 27 A 3.9271 7.1834 120.9401 51.4819 16.2042 177.0340 *29 R 3.9877 7.9682 119.2720 58.8066 31.1727 174.6492 30 N 4.3200 8.6937 123.1688 54.9529 37.5383 172.8879 31 V 4.6869 7.3060 114.4692 60.7741 34.0867 174.4142 32 A 4.7573 9.0058 129.4562 50.1302 21.9369 175.1080 33 V 4.7516 8.0628 120.6727 61.2494 33.2866 174.9571 34 F 4.8838 9.0759 125.9626 55.6181 42.6925 174.0858 35 V 4.8706 8.5177 121.3750 61.3658 33.4338 174.5342 36 E 4.8101 8.9319 128.3802 55.3274 33.3976 177.3667 37 D 4.3679 8.7600 122.1167 56.3657 41.1710 177.3623 38 E 4.7594 7.9365 118.4055 53.4197 32.6700 172.9768 39 P 3.9024 0.0000 0.0000 61.7564 32.3103 176.0116 40 D 4.2818 8.4517 119.3729 56.5537 41.1428 176.3219 41 D 4.7578 7.6077 119.2764 51.3623 42.1379 174.9015 42 P 4.2218 0.0000 0.0000 65.9705 31.3650 177.8748 43 E 4.1660 8.4311 114.2139 57.2930 29.9891 182.0269 44 L 4.4625 7.5418 117.5017 55.2179 42.5967 176.6790 45 L 4.6568 8.5419 121.3545 56.1157 43.6420 176.1085 46 G 4.5120 8.0787 103.4072 45.7555 0.0000 172.3837 47 L 4.7735 8.6746 121.1515 53.9232 45.9616 173.4559 48 Y 4.6474 8.8245 127.8146 56.7039 40.1160 174.4624 49 V 4.2563 8.4638 127.1025 60.9860 33.9006 174.3656 50 G 4.2774 8.7551 116.0767 45.5420 0.0000 172.3442 51 I 4.1960 8.7298 126.8820 59.7051 38.2441 174.5283 52 P 4.4274 0.0000 0.0000 62.3260 32.2872 177.0682 53 L 3.9828 8.5906 122.0431 58.8291 41.7413 179.4917 54 T 3.9513 7.9953 114.1511 65.8535 68.4105 175.0304 55 E 4.5594 7.6836 117.3933 56.1661 30.4069 177.4356 56 R 4.1154 7.9174 121.1811 57.6125 30.0857 175.8755 57 T 5.1162 7.2325 106.4974 59.7889 72.0768 172.7168 58 T 4.5372 8.1548 111.9614 59.3436 71.2077 175.2516 59 A 3.7667 8.4969 124.4671 55.1933 18.1406 178.0955 60 Y 4.5267 7.8889 110.7382 57.8719 38.0273 176.9174 61 G 4.0049 8.1374 108.9497 45.0305 0.0000 174.9068 62 G 3.8126 8.2864 108.2458 46.4861 0.0000 172.8020 63 V 4.8877 8.3105 122.9858 61.2084 33.0463 174.9888 64 L 4.8026 8.9729 128.1846 52.8985 43.1298 174.6729 65 P 4.9771 0.0000 0.0000 61.4636 32.7402 175.5888 66 D 4.5447 8.7433 121.0041 55.0152 42.4409 175.3351 67 R 5.0740 8.5706 118.8497 54.5040 34.0111 174.9262 68 I 4.6807 8.7244 123.9362 59.6041 39.6432 174.8761 69 I 4.5708 8.7128 129.2882 60.6352 38.7503 175.0629 70 I 4.7133 8.5551 127.1687 59.6479 40.5068 174.1741 71 Y 4.8259 8.5300 125.1346 56.7283 38.6424 176.6480 72 R 3.0566 9.0529 126.3107 59.1482 30.1002 178.1914 73 N 4.2105 8.2810 116.7474 56.5761 38.3454 177.5679 74 T 3.9931 7.7875 109.3846 64.5392 69.5166 176.4955 75 I 3.9146 7.7782 122.5622 64.6190 37.1660 178.2474 76 C 4.2416 8.3426 117.3594 62.6879 27.6852 175.9445 77 A 3.9980 7.8541 121.6226 54.7278 17.9859 178.7217 78 L 4.3259 7.6332 114.5362 54.5755 42.4820 176.4188 79 C 5.0941 7.7588 116.9695 58.0594 30.9113 173.7371 80 E 4.5980 9.5512 122.3785 56.6780 30.6688 176.4505 81 T 4.7703 7.3583 108.5564 58.9432 73.2303 174.1876 82 E 3.9819 8.7817 121.2284 59.8891 29.4425 179.8826 83 S 4.1119 8.0329 114.5550 61.6435 62.8572 176.4065 84 E 3.9635 8.2387 121.3293 59.2203 29.1820 179.5485 85 V 3.5796 7.7678 118.2607 66.0448 31.5845 177.8790 86 I 3.5552 7.9006 119.7863 64.6781 36.9133 178.0525 87 D 4.3705 8.1851 119.3941 57.3928 40.6694 178.6121 88 E 3.9289 8.4833 120.0527 59.1583 29.6094 178.9081 89 V 3.5629 8.2652 118.6692 65.9894 31.5352 177.8523 90 R 3.8233 8.3084 118.7726 59.4464 29.8826 178.3492 91 K 4.1320 8.4693 119.6740 59.7750 32.0983 178.9481 92 T 3.8068 7.9495 116.0317 66.5309 68.3469 176.7359 93 V 3.5187 7.8357 120.2125 66.0928 31.4731 178.1945 94 V 3.0471 7.6214 117.8585 66.0920 31.1104 177.6284 95 H 3.8089 8.2173 116.0049 58.8167 28.5001 177.7018 96 E 3.9532 8.3286 120.4940 59.4079 29.1997 179.2838 97 I 3.7435 8.1533 118.9061 63.8564 38.0059 177.7708 98 A 4.1602 8.1320 121.8951 55.7082 18.2772 179.4272 99 H 4.3841 8.3321 114.8322 59.1775 28.4939 177.5055 100 H 3.8125 7.9149 119.4305 58.1725 29.4595 176.2325 101 F 4.8425 7.4339 118.0831 56.7301 39.8467 176.0199 102 G 3.8971 7.7559 104.8351 46.5226 0.0000 174.0268 103 I 4.2745 8.1177 121.3058 59.5806 38.2497 176.4006 104 D 4.7826 8.3202 125.7028 52.2628 42.4925 176.9808 105 D 4.3103 8.4238 118.3195 57.1381 40.5391 178.8869 106 E 4.0095 8.4599 119.6269 59.4203 28.9375 179.4509 107 R 3.9811 8.0900 117.6631 59.2631 30.2269 178.9544 108 L 4.2051 8.2066 118.9207 58.1189 41.4975 179.2611 109 H 4.4941 8.4981 116.4868 58.8911 28.4430 177.3790 110 E 4.2802 8.0390 118.9153 57.9276 29.2574 177.5651 111 L 4.6330 7.4144 117.0210 54.3902 42.1105 177.2618 112 G 3.9791 8.3617 105.9003 45.6961 0.0000 173.8774 113 Y 4.2816 8.4988 122.9202 57.9912 38.6687 175.2914 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 0 G 8.34 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.89 2.18 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 0.84 0.00 0.00 1.00 0.00 0.00 3 Y 8.53 4.30 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.57 4.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.04 0.00 0.00 5 D 8.79 4.73 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.21 2.16 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 7 D 8.13 4.39 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.12 3.92 0.00 1.98 2.22 0.00 3.22 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 9 F 8.62 4.05 0.00 3.22 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.45 4.40 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 3.95 0.00 2.16 1.97 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 2.31 2.51 0.00 12 L 7.94 3.87 0.00 1.40 1.44 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.79 3.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.70 0.00 0.00 14 A 7.91 3.90 1.32 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 0.00 0.00 0.00 15 E 7.96 3.81 0.00 1.93 2.08 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 2.29 2.34 0.00 16 A 8.14 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.94 0.00 1.80 1.70 0.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.32 4.54 0.00 2.77 2.73 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 0.00 0.00 0.00 0.00 19 G 7.39 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.13 3.86 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 0.99 0.00 0.00 21 P 0.00 4.53 0.00 2.53 2.15 0.00 3.83 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.37 0.00 22 E 8.93 4.03 0.00 2.10 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 2.40 1.95 0.00 23 E 8.10 3.92 0.00 1.72 1.88 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 0.00 1.47 1.78 0.00 24 F 8.05 4.66 0.00 3.22 3.05 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 25 A 7.61 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.92 3.93 0.00 1.73 1.91 0.00 3.29 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 27 A 7.18 3.93 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 *29 R 7.97 3.99 0.00 2.01 1.95 0.00 3.37 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 30 N 8.69 4.32 0.00 3.01 2.85 0.00 0.00 6.63 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.31 4.69 2.13 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 0.78 0.00 0.00 1.10 0.00 0.00 32 A 9.01 4.76 1.23 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 0.00 0.00 0.00 33 V 8.06 4.75 1.97 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 0.84 0.00 0.00 0.88 0.00 0.00 34 F 9.08 4.88 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 4.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.20 0.00 0.00 36 E 8.93 4.81 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 37 D 8.76 4.37 0.00 2.37 2.66 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 38 E 7.94 4.76 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 39 P 0.00 3.90 0.00 1.84 0.49 0.00 3.61 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 40 D 8.45 4.28 0.00 2.61 2.73 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 0.00 0.00 0.00 0.00 41 D 7.61 4.76 0.00 2.60 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.22 0.00 2.17 2.12 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 43 E 8.43 4.17 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 44 L 7.54 4.46 0.00 1.45 1.73 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.54 4.66 0.00 1.67 1.79 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.08 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.67 4.77 0.00 2.00 1.60 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.82 4.65 0.00 3.18 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.46 4.26 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.88 0.00 0.00 50 G 8.76 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 0.00 0.00 0.00 0.00 51 I 8.73 4.20 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 0.91 0.00 0.00 52 P 0.00 4.43 0.00 2.17 1.98 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.08 0.00 53 L 8.59 3.98 0.00 1.76 1.67 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.00 3.95 4.24 0.00 0.00 0.00 0.00 0.00 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 55 E 7.68 4.56 0.00 1.92 1.94 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 2.24 2.27 0.00 56 R 7.92 4.12 0.00 2.11 2.09 0.00 3.11 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 57 T 7.23 5.12 4.25 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 0.00 0.00 0.00 1.23 0.00 0.00 58 T 8.15 4.54 4.37 0.00 0.00 0.00 0.00 0.00 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 59 A 8.50 3.77 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.89 4.53 0.00 3.01 2.97 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 61 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.29 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.31 4.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 64 L 8.97 4.80 0.00 1.53 1.59 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.98 0.00 2.18 2.19 0.00 3.44 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 66 D 8.74 4.54 0.00 2.66 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.57 5.07 0.00 1.54 1.73 0.00 2.83 0.00 0.00 2.65 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 68 I 8.72 4.68 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.89 0.00 0.00 69 I 8.71 4.57 1.60 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 1.14 1.08 0.45 0.00 0.00 70 I 8.56 4.71 1.92 0.00 0.00 0.85 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 0.99 1.10 0.00 0.00 71 Y 8.53 4.83 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.05 3.06 0.00 0.96 1.50 0.00 2.90 0.00 0.00 2.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 73 N 8.28 4.21 0.00 2.82 2.80 0.00 0.00 6.83 7.84 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 74 T 7.79 3.99 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 1.24 0.00 0.00 75 I 7.78 3.91 2.24 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.44 1.10 0.00 0.00 76 C 8.34 4.24 0.00 2.96 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 77 A 7.85 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.63 4.33 0.00 1.87 1.74 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 C 7.76 5.09 0.00 2.95 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 80 E 9.55 4.60 0.00 2.00 1.98 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 2.29 2.23 0.00 81 T 7.36 4.77 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 82 E 8.78 3.98 0.00 2.04 2.04 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 2.43 2.44 0.00 83 S 8.03 4.11 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.24 3.96 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 85 V 7.77 3.58 2.22 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 0.81 0.00 0.00 1.03 0.00 0.00 86 I 7.90 3.56 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.51 0.88 0.00 0.00 87 D 8.19 4.37 0.00 2.85 2.72 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 88 E 8.48 3.93 0.00 2.24 2.08 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 2.34 2.40 0.00 89 V 8.27 3.56 2.09 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 0.93 0.00 0.00 0.81 0.00 0.00 90 R 8.31 3.82 0.00 2.01 2.14 0.00 3.29 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 91 K 8.47 4.13 0.00 2.02 2.06 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.63 7.81 92 T 7.95 3.81 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 93 V 7.84 3.52 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 1.03 0.00 0.00 0.92 0.00 0.00 94 V 7.62 3.05 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 -0.58 0.00 0.00 0.22 0.00 0.00 95 H 8.22 3.81 0.00 3.32 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.33 3.95 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 97 I 8.15 3.74 1.95 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.95 0.00 0.00 98 A 8.13 4.16 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.33 4.38 0.00 3.15 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 7.91 3.81 0.00 2.08 2.86 0.00 5.92 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.43 4.84 0.00 3.04 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 0.00 102 G 7.76 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.12 4.27 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 0.99 0.00 0.00 104 D 8.32 4.78 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.42 4.31 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 106 E 8.46 4.01 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 107 R 8.09 3.98 0.00 2.02 2.01 0.00 3.31 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 108 L 8.21 4.21 0.00 1.82 1.91 0.72 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.50 4.49 0.00 3.38 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.04 4.28 0.00 2.17 2.04 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 2.38 2.57 0.00 111 L 7.41 4.63 0.00 2.03 1.90 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.36 3.98 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 0.00 0.00 0.00 113 Y 8.50 4.28 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.