NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7234 8.3544 109.7335 45.2928 0.0000 173.6861 *2 S 4.1502 8.3821 115.6919 58.1003 63.8570 174.4900 3 T 4.1219 8.6619 127.4937 66.3374 68.4096 176.5486 4 Q 3.9286 7.9844 118.9122 59.3287 28.6682 178.2285 5 E 3.9429 8.1953 120.5590 59.2298 29.4809 179.0446 6 N 4.3312 8.3577 116.7155 55.9808 38.4603 177.6107 7 V 3.4438 7.9417 120.0252 66.0899 31.5980 177.8950 8 Q 3.8108 8.0523 119.1541 59.0804 28.7528 178.2380 9 I 3.6656 7.7802 120.9325 64.2857 37.1497 178.4918 10 V 3.2874 7.6161 118.9451 65.8748 31.2911 178.1215 11 K 4.0622 8.0620 118.3394 59.7435 31.8495 179.0695 12 D 4.4206 8.5184 119.5214 57.1041 40.4621 178.4516 13 F 4.1281 8.1850 120.4585 61.4052 39.4918 176.6711 14 F 4.6867 8.1465 115.7498 60.9079 39.1034 177.3467 15 A 4.2805 8.6978 120.3365 54.9339 18.1565 180.2893 16 A 4.2154 8.3908 117.4469 52.6451 18.1202 179.6659 *18 G 3.8468 7.9919 110.7392 47.3635 0.0000 175.6042 19 R 3.9984 8.4635 117.7524 56.4488 30.1550 176.8410 20 G 3.9033 7.8861 105.4687 46.5485 0.0000 174.7781 21 D 4.5904 8.3700 120.7195 52.3791 40.2943 175.3262 22 K 3.9441 8.2446 125.4632 59.0591 32.4054 178.8041 23 K 4.1024 8.0908 118.3793 59.3433 31.9011 179.5848 24 G 3.7277 8.4031 106.6496 46.9135 0.0000 175.2556 25 L 4.0832 8.1092 122.7481 58.1843 42.1819 179.2592 26 L 3.9520 7.8916 118.3817 57.5182 41.2276 179.3482 27 A 4.1668 7.8213 119.9939 54.1165 18.4052 178.4925 28 V 4.3474 7.6350 108.9562 61.0125 32.1474 174.9978 29 S 5.1396 7.8219 116.0644 56.1399 65.5386 174.1630 30 A 4.1768 8.8569 128.3997 52.2345 19.0326 178.5163 31 E 3.6658 8.8657 120.3919 58.7416 29.7151 178.1960 32 D 4.9431 7.7406 117.3699 53.3584 41.7436 175.8421 33 I 3.9166 7.6045 119.8058 62.0152 39.2037 173.8352 34 E 5.1203 9.2412 129.9720 54.1436 32.2362 174.1196 35 W 5.2890 9.5663 135.0000 55.8876 33.6527 173.7703 36 I 4.8804 9.0702 129.4475 59.7886 38.9538 174.9085 37 I 4.9813 8.9257 128.5209 58.9063 39.9660 174.0560 38 P 4.7913 0.0000 0.0000 62.3008 33.1916 175.3365 39 G 3.8995 9.2914 104.7955 44.3335 0.0000 172.8537 40 E 4.5787 8.3139 117.9832 53.8853 30.3605 175.1861 41 W 4.9073 8.0002 120.0038 54.4007 30.7132 174.1700 42 P 4.0885 0.0000 0.0000 65.5658 30.7278 177.7198 43 L 3.6747 6.3367 114.8181 54.8555 41.9249 176.9606 44 A 3.8725 6.6086 122.5798 51.8268 18.9294 177.8342 45 G 3.9139 7.4017 108.3438 44.2025 0.0000 171.4093 46 T 4.9239 7.7850 117.0532 62.1528 70.3395 174.0363 47 H 4.8107 9.1702 124.8137 53.9436 31.1155 173.7628 48 R 4.9621 8.7851 123.5167 56.1331 32.6827 174.8000 49 G 4.3252 9.3134 112.4712 42.8276 0.0000 173.9842 50 H 4.2802 8.8862 114.8480 58.7944 28.6163 177.9138 51 A 3.9915 8.1082 121.8785 55.1600 18.1321 179.4054 52 A 3.9177 7.9290 118.6864 55.1323 18.5956 179.3802 53 L 3.8635 8.1946 118.7501 58.3377 42.2235 179.1020 54 A 3.9547 8.2015 120.4865 55.1004 18.3022 179.4942 55 A 3.8858 8.0804 119.3412 55.0238 18.3278 179.6725 56 L 3.5813 8.0318 119.2035 57.8909 42.0969 178.6018 57 L 3.7797 7.6572 120.3327 58.3963 41.9789 178.8692 58 Q 3.8760 7.8658 119.0028 58.9867 28.8021 178.0041 59 K 3.7956 7.8075 119.1434 59.3421 32.2891 178.1851 60 A 4.0472 7.8364 120.0751 55.3300 18.4010 179.0486 61 S 4.2340 7.7437 110.1266 61.5093 62.3855 175.2914 62 E 4.2892 7.6958 119.1192 56.0260 29.9398 176.6116 *64 V 4.1931 7.0639 117.5548 61.7160 33.0601 173.9337 65 E 4.6170 8.9544 123.3577 54.6882 31.2237 174.4351 66 I 4.8512 8.3292 126.4508 59.2997 41.2331 174.4283 67 S 4.5892 8.8671 123.2696 56.9068 67.4642 172.8802 68 Y 5.0367 8.4673 120.1875 55.7249 38.8218 173.6293 69 P 4.4534 0.0000 0.0000 64.7212 31.8105 176.9728 70 E 4.8574 7.8461 114.6486 53.3710 33.1214 173.7844 71 P 4.4775 0.0000 0.0000 61.9589 32.0389 174.7745 72 P 4.4566 0.0000 0.0000 62.7572 32.6057 174.9515 73 E 4.5346 8.8299 122.3558 55.1556 31.4558 174.5609 74 F 5.1718 8.8457 124.4318 55.7033 41.4432 175.0853 75 V 4.4783 9.1160 123.4833 61.1429 33.7835 174.0582 76 A 5.1757 8.5780 128.4371 50.5661 22.8845 175.4891 77 Q 4.1987 9.2411 121.7667 55.5647 31.9125 175.8666 78 G 3.8210 8.6904 118.8245 47.2634 0.0000 174.3215 79 E 4.3234 8.8950 125.8495 56.1836 29.7703 174.6770 80 R 4.7651 7.9846 121.6460 54.5976 32.1118 174.9462 81 V 4.6616 9.0054 126.8793 61.2376 34.5594 173.9061 82 L 5.1354 8.9840 129.0196 53.1469 43.9607 175.6467 83 V 4.4830 9.0482 124.8754 61.0227 33.9061 174.3690 84 V 4.4111 8.4522 128.1599 61.1621 34.2235 174.7389 85 G 3.0402 6.9016 113.4271 45.2749 0.0000 171.0665 86 F 5.2353 8.2959 120.5025 56.4154 42.5284 173.9127 87 A 4.9511 8.6886 127.0131 50.1789 22.6097 174.8283 88 T 4.5879 8.2157 110.1989 60.0565 72.0582 173.4228 89 G 3.7272 7.4889 109.0772 45.1975 0.0000 171.5575 90 R 5.0438 8.7617 119.9494 54.3052 33.5650 174.0903 91 V 4.1948 9.0910 127.6573 62.5023 31.9922 177.1751 92 K 4.1526 8.9397 128.3339 59.3863 32.4326 178.6584 93 S 4.2922 8.1863 112.9629 61.0063 63.2182 175.1848 94 T 4.1059 7.8659 109.0683 61.0711 69.3719 174.7383 95 N 4.2633 8.5228 118.8426 54.1094 38.3601 173.5488 96 R 4.5214 7.6129 116.3724 55.9925 31.5413 175.9702 97 T 5.0289 8.4262 112.9517 60.6600 71.3284 173.2206 98 F 5.0917 8.1580 116.5890 55.7354 42.0072 172.8102 99 E 5.0394 8.7039 117.2222 54.9214 33.6336 175.3546 100 D 4.5597 8.1202 121.6262 53.5813 44.9479 173.6675 101 D 5.2919 8.9511 127.0150 53.2801 41.9305 175.9166 102 W 5.5934 8.5623 120.1434 54.7346 32.4399 174.1957 103 V 5.0299 9.2740 120.2498 61.3225 34.6504 174.0548 104 F 5.8868 9.7894 126.4871 56.0577 41.4686 174.2480 105 A 5.0368 9.4607 127.1909 50.6396 20.6622 175.6622 106 I 4.9117 8.8676 123.6907 59.8764 41.0038 174.7702 107 T 4.9759 8.8025 123.1461 61.8270 70.8335 173.3851 108 V 4.6356 8.6032 126.9609 61.2610 33.5083 175.3767 109 R 4.7651 8.6695 125.1609 54.6975 33.8529 175.6744 110 K 3.7993 9.8260 122.0841 57.8289 29.6751 175.1920 111 S 3.8824 8.1638 108.1368 59.0469 60.7877 171.8193 112 K 4.7050 7.8228 119.5447 54.0061 35.1839 175.7462 113 V 3.6235 8.6475 123.6128 63.8852 31.8017 176.0206 114 T 4.3947 8.9940 124.2768 64.4938 71.5590 174.6565 115 S 5.0646 7.7298 115.8790 56.7411 67.3829 173.3504 116 I 4.8815 8.9869 124.5772 59.4014 40.9064 174.2952 117 R 4.9884 8.9422 126.5665 54.5793 33.0467 173.7739 118 E 5.3193 8.8807 125.9487 55.6051 31.3732 175.4063 119 Y 4.8952 9.7498 121.7605 56.4014 40.7390 174.7507 120 I 5.1242 8.3497 116.6324 58.4709 41.8044 176.2657 121 D 4.6513 9.6010 123.1295 53.1437 38.8088 176.2238 122 T 3.6808 7.9492 115.2846 64.0210 69.0407 176.0671 123 L 3.8609 7.8564 122.3604 57.9351 42.3228 178.6245 124 A 3.9602 7.9657 120.1320 55.2599 18.0235 179.6678 125 L 3.3491 7.6897 117.1932 57.3615 41.4994 179.5960 126 A 4.1285 7.9300 120.8671 55.2794 18.1287 179.8486 127 R 3.8606 7.8636 115.1980 59.4232 30.2236 178.9576 128 A 4.2162 7.7972 119.0412 54.0681 18.4955 178.5781 129 T 4.3345 7.2585 105.5478 60.6404 69.8580 174.2926 130 N 4.5372 8.0283 124.3625 54.0313 39.3130 173.7915 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 8.35 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 *2 S 8.38 4.15 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.66 4.12 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 1.25 0.00 0.00 4 Q 7.98 3.93 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 5 E 8.20 3.94 0.00 2.16 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 2.30 2.32 0.00 6 N 8.36 4.33 0.00 2.91 2.82 0.00 0.00 6.64 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.94 3.44 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 0.44 0.00 0.00 0.96 0.00 0.00 8 Q 8.05 3.81 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 9 I 7.78 3.67 1.96 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 1.38 0.50 0.85 0.00 0.00 10 V 7.62 3.29 2.14 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 0.63 0.00 0.00 0.83 0.00 0.00 11 K 8.06 4.06 0.00 1.92 1.88 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.27 7.81 12 D 8.52 4.42 0.00 2.84 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 13 F 8.18 4.13 0.00 2.93 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 14 F 8.15 4.69 0.00 3.37 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 4.28 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.22 1.37 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 0.00 0.00 0.00 *18 G 7.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.46 4.00 0.00 1.93 2.01 0.00 3.34 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 20 G 7.89 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 21 D 8.37 4.59 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.24 3.94 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.52 7.81 23 K 8.09 4.10 0.00 1.89 1.85 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.07 7.81 24 G 8.40 3.73 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 0.00 0.00 0.00 25 L 8.11 4.08 0.00 1.75 1.85 0.36 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.89 3.95 0.00 1.70 1.48 0.87 0.81 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 27 A 7.82 4.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 4.35 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 0.80 0.00 0.00 1.18 0.00 0.00 29 S 7.82 5.14 0.00 4.06 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 30 A 8.86 4.18 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 31 E 8.87 3.67 0.00 1.99 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 2.19 2.29 0.00 32 D 7.74 4.94 0.00 2.63 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 33 I 7.60 3.92 2.06 0.00 0.00 1.00 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 1.59 1.10 0.00 0.00 34 E 9.24 5.12 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 35 W 9.57 5.29 0.00 3.42 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 9.07 4.88 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.91 0.00 0.00 37 I 8.93 4.98 1.91 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 1.09 0.00 0.00 38 P 0.00 4.79 0.00 2.13 2.09 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 39 G 9.29 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 40 E 8.31 4.58 0.00 1.93 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 2.22 2.29 0.00 41 W 8.00 4.91 0.00 3.52 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 42 P 0.00 4.09 0.00 1.93 2.07 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 43 L 6.34 3.67 0.00 0.27 0.94 0.68 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 44 A 6.61 3.87 1.18 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 0.00 0.00 0.00 45 G 7.40 3.91 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 0.00 0.00 0.00 46 T 7.78 4.92 4.19 0.00 0.00 0.00 0.00 0.00 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 47 H 9.17 4.81 0.00 3.03 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.79 4.96 0.00 1.78 1.77 0.00 3.20 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 49 G 9.31 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.89 4.28 0.00 3.21 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.11 3.99 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 52 A 7.93 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.19 3.86 0.00 2.01 1.95 1.31 1.11 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 A 8.20 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 3.89 1.33 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 0.00 0.00 0.00 0.00 0.00 56 L 8.03 3.58 0.00 1.33 1.52 0.28 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.66 3.78 0.00 1.78 1.81 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.87 3.88 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 59 K 7.81 3.80 0.00 1.78 1.77 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.36 7.81 60 A 7.84 4.05 1.26 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 0.00 0.00 0.00 61 S 7.74 4.23 0.00 3.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.70 4.29 0.00 1.98 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 2.47 2.43 0.00 *64 V 7.06 4.19 2.27 0.00 0.00 0.00 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 1.24 0.00 0.00 65 E 8.95 4.62 0.00 2.04 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 2.16 2.21 0.00 66 I 8.33 4.85 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.91 0.92 0.00 0.00 67 S 8.87 4.59 0.00 3.57 3.62 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 68 Y 8.47 5.04 0.00 2.93 3.03 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 69 P 0.00 4.45 0.00 2.12 2.19 0.00 4.09 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 70 E 7.85 4.86 0.00 1.92 1.81 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 2.20 2.29 0.00 71 P 0.00 4.48 0.00 2.10 2.07 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 72 P 0.00 4.46 0.00 1.79 2.02 0.00 3.85 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 73 E 8.83 4.53 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 74 F 8.85 5.17 0.00 2.96 3.01 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 0.00 0.00 0.00 75 V 9.12 4.48 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 1.04 0.00 0.00 0.92 0.00 0.00 76 A 8.58 5.18 1.26 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 0.00 0.00 0.00 77 Q 9.24 4.20 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.71 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 78 G 8.69 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 79 E 8.90 4.32 0.00 2.03 2.17 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 2.34 2.27 0.00 80 R 7.98 4.77 0.00 1.94 1.91 0.00 3.24 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 81 V 9.01 4.66 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 1.22 0.00 0.00 0.93 0.00 0.00 82 L 8.98 5.14 0.00 1.90 1.57 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 83 V 9.05 4.48 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.13 0.00 0.00 84 V 8.45 4.41 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 0.67 0.00 0.00 0.82 0.00 0.00 85 G 6.90 3.04 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 0.00 0.00 0.00 86 F 8.30 5.24 0.00 2.93 2.77 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 0.00 0.00 0.00 87 A 8.69 4.95 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.22 4.59 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 1.28 0.00 0.00 89 G 7.49 3.73 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 0.00 0.00 0.00 90 R 8.76 5.04 0.00 1.75 1.69 0.00 3.30 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 91 V 9.09 4.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.10 0.00 0.00 92 K 8.94 4.15 0.00 1.81 1.87 0.00 2.01 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.45 7.81 93 S 8.19 4.29 0.00 3.99 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 94 T 7.87 4.11 4.27 0.00 0.00 0.00 0.00 0.00 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 95 N 8.52 4.26 0.00 2.83 2.94 0.00 0.00 7.19 7.32 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 96 R 7.61 4.52 0.00 1.96 1.87 0.00 3.19 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 97 T 8.43 5.03 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 98 F 8.16 5.09 0.00 3.08 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 99 E 8.70 5.04 0.00 1.92 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 2.19 2.29 0.00 100 D 8.12 4.56 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.95 5.29 0.00 2.70 2.62 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 0.00 102 W 8.56 5.59 0.00 3.41 3.20 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 0.00 103 V 9.27 5.03 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 1.15 0.00 0.00 0.89 0.00 0.00 104 F 9.79 5.89 0.00 3.14 2.88 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 0.00 0.00 0.00 105 A 9.46 5.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.87 4.91 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.79 0.68 0.00 0.00 107 T 8.80 4.98 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 1.19 0.00 0.00 108 V 8.60 4.64 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 0.74 0.00 0.00 0.82 0.00 0.00 109 R 8.67 4.77 0.00 1.77 1.73 0.00 3.48 0.00 0.00 3.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 110 K 9.83 3.80 0.00 1.81 1.81 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.38 7.81 111 S 8.16 3.88 0.00 4.02 3.96 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 0.00 112 K 7.82 4.71 0.00 1.75 1.63 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.43 7.81 113 V 8.65 3.62 1.66 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 0.23 0.00 0.00 0.46 0.00 0.00 114 T 8.99 4.39 4.31 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 1.19 0.00 0.00 115 S 7.73 5.06 0.00 3.68 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.99 4.88 1.16 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 0.58 0.39 0.08 0.00 0.00 117 R 8.94 4.99 0.00 1.82 1.78 0.00 2.98 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.33 0.00 118 E 8.88 5.32 0.00 2.05 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 0.00 1.76 2.40 0.00 119 Y 9.75 4.90 0.00 3.02 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 0.00 120 I 8.35 5.12 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 1.29 0.00 0.00 121 D 9.60 4.65 0.00 2.77 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 0.00 122 T 7.95 3.68 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 1.29 0.00 0.00 123 L 7.86 3.86 0.00 1.77 1.84 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.97 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.69 3.35 0.00 0.83 0.38 -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.93 4.13 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 0.00 127 R 7.86 3.86 0.00 1.94 2.01 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 128 A 7.80 4.22 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.26 4.33 4.31 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 1.31 0.00 0.00 130 N 8.03 4.54 0.00 2.94 2.85 0.00 0.00 6.78 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.