NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 A 4.3758 8.2649 123.5892 52.2188 19.5655 177.8537 -1 T 3.9454 8.8154 118.2653 62.4073 67.9161 172.3329 2 S 5.5547 7.9739 124.7904 58.4448 68.8351 175.9704 3 H 4.4853 8.6633 124.3301 57.6428 30.7441 173.6422 4 T 5.3306 9.4026 121.2681 61.9135 72.6502 172.7188 5 I 4.9386 9.2522 126.5404 59.5222 40.1155 174.1482 6 L 5.0757 9.0101 129.7075 53.6483 44.0947 174.8220 7 L 5.0529 9.3853 126.8909 53.0573 44.1769 175.4152 8 V 4.6318 9.0293 124.7934 61.1551 34.2140 174.0809 9 Q 4.7586 9.1473 129.7287 53.4264 30.2854 173.5844 10 P 4.3858 0.0000 0.0000 64.9958 32.4998 176.3400 11 T 4.9780 7.6296 108.3198 58.7170 71.8254 174.4600 12 K 3.9943 8.6557 120.7234 58.1802 32.0058 177.3641 13 R 4.5572 7.3840 115.9555 53.6583 31.3088 175.4632 14 P 4.2092 0.0000 0.0000 64.2288 31.5234 176.8601 15 E 4.1936 7.5053 118.6708 56.8530 30.0581 177.1536 16 G 3.9544 8.8757 110.6519 45.2712 0.0000 173.5250 17 R 4.3352 7.7157 119.1889 56.4893 30.6343 175.8314 18 T 4.9655 9.1149 118.0406 60.6671 71.6333 171.5378 19 Y 5.8282 8.2889 121.1283 55.3459 41.6965 173.6506 20 A 4.5282 8.6015 119.4896 50.4172 23.0315 174.4812 21 D 5.3661 8.2558 119.2418 52.8924 42.9335 175.5648 22 Y 5.1639 8.6455 119.2570 56.2341 42.0720 175.9852 23 E 4.5506 9.4329 119.1861 58.2876 31.1720 176.2973 24 S 4.9894 7.7953 113.2318 57.8175 65.7581 175.4458 25 V 3.7370 8.5036 120.7395 66.1839 31.6057 177.0668 26 N 4.4587 8.3128 116.1080 56.3730 38.8288 175.8046 27 E 4.1616 8.2262 118.8348 59.4534 29.9969 179.0238 28 C 2.7086 7.9286 115.9606 59.5798 31.1993 174.7810 *30 E 4.3182 8.3399 119.9158 55.8291 31.0544 178.4870 31 G 3.7142 7.7421 106.1460 47.0438 0.0000 175.6664 32 V 3.8656 7.5484 119.7166 66.1751 31.8285 177.6392 33 C 4.4627 8.1194 115.9357 62.5132 28.0221 176.7639 34 K 4.4031 8.6132 120.9826 56.3573 31.5821 178.6829 *36 Y 3.9801 7.8820 121.2778 57.4936 40.6573 176.1446 37 E 3.7121 8.3500 120.1482 59.5828 29.3469 178.7758 38 E 3.9372 8.1476 117.3425 59.5527 29.6379 178.5054 39 H 4.2436 7.8561 117.8192 59.2237 29.7492 177.2061 40 L 3.6123 7.3462 119.9965 57.5578 41.4626 179.4350 41 K 4.0908 8.0637 117.7178 58.8032 32.0095 178.4545 42 R 4.2546 7.1676 118.2224 55.7850 32.0866 176.8167 *44 N 4.4949 7.9437 116.8082 52.7139 39.0051 172.4683 45 P 4.3937 0.0000 0.0000 64.3022 31.9182 176.9980 46 N 4.6872 7.5640 113.4610 53.0865 39.3042 174.9135 47 S 4.5456 7.5021 113.7981 56.4872 63.4384 172.2969 48 P 4.4458 0.0000 0.0000 65.2940 31.4351 176.9762 49 S 4.7718 7.5981 109.4996 56.9501 65.5501 173.2199 50 I 4.4121 8.9679 124.0761 59.8467 38.9085 176.1227 51 T 4.1936 8.3367 122.1882 63.4579 69.3726 173.0909 52 Y 4.8234 7.2060 119.4256 56.3475 40.3825 173.6140 53 D 4.8171 8.7982 120.5490 51.8611 41.5266 177.4591 54 I 3.3807 8.1586 119.8584 64.3968 37.7962 178.3304 55 S 4.3300 7.9943 115.5030 61.4411 62.5404 176.5584 56 Q 4.0272 8.3246 121.0195 58.6800 28.4620 178.1829 57 L 2.6690 7.2971 121.1228 57.9428 42.0058 179.1485 58 F 4.5479 8.5581 118.0634 60.5879 38.5580 177.2047 59 D 4.3432 8.1520 117.1338 57.1257 41.3280 177.8001 60 F 4.2899 8.3417 121.4336 61.4828 39.4748 177.1049 61 I 3.5873 8.1875 119.7638 64.5971 36.6830 178.1893 62 D 4.4123 8.1009 118.6139 56.9022 40.6996 177.8689 63 D 4.4451 7.5714 117.9045 54.8691 41.3659 176.7683 64 L 4.0584 6.8596 119.2499 53.9995 42.3491 176.8778 65 A 4.1626 8.0912 124.4812 55.3386 18.8824 177.2915 66 D 4.5463 8.5702 112.2675 53.6633 45.4514 174.6709 67 L 5.2528 8.3707 124.8395 53.8400 45.2488 174.8753 68 S 4.9813 9.0591 119.6855 57.7243 67.0888 172.4789 69 C 5.4704 9.0658 114.2755 56.7142 33.7359 172.7706 70 L 5.2147 9.1704 119.3062 52.9980 45.1512 175.7038 71 V 4.9945 8.9840 124.0063 60.8983 33.7339 174.1199 72 Y 3.8638 9.2374 130.0764 57.7827 40.1188 174.7514 73 R 4.5599 7.9285 125.5535 54.0509 31.9495 176.8730 74 A 3.8066 8.5762 128.2336 54.8313 18.8085 178.1158 75 D 4.4347 8.0422 115.0026 55.8526 39.4497 177.1597 76 T 4.3112 7.3707 106.1939 60.1132 69.9034 173.6636 77 Q 3.2146 7.9583 119.8693 56.1666 26.9441 172.4796 78 T 4.7563 6.9135 105.4127 60.4717 73.4438 171.7737 79 Y 4.9228 8.4316 118.6807 56.2459 39.9055 175.5732 80 Q 4.1684 9.2505 127.0214 54.8150 30.3643 172.7909 81 P 5.0026 0.0000 0.0000 62.0276 33.2453 174.6942 82 Y 4.7473 8.7333 119.4936 56.2197 42.5033 175.4035 83 N 4.9245 8.7227 120.5454 51.3857 39.6962 175.8823 84 K 4.0253 8.6360 117.0299 60.4761 32.3449 178.6511 85 D 4.2614 8.1769 119.5636 56.7818 40.7445 178.3769 86 W 4.0879 8.7682 128.9264 60.4256 30.5892 178.1685 87 I 3.7841 7.9401 119.5715 64.2677 36.5547 178.5197 88 K 3.6766 7.9986 119.3069 59.2446 31.7675 178.9104 89 E 3.8415 7.8787 119.4635 59.1008 29.5124 178.5895 90 K 3.4898 7.5930 119.5312 59.5769 32.0504 178.7302 91 I 3.6961 7.9564 120.1558 64.3861 37.0460 177.5430 92 Y 4.1695 8.5970 120.8323 61.1732 38.4089 178.9345 93 V 3.5429 8.1139 111.9649 64.3082 31.6784 178.3593 94 L 4.0631 7.7320 118.0327 57.3942 41.5373 179.1679 95 L 4.0881 8.0142 119.1200 57.4721 41.7526 179.0012 96 R 3.6698 7.9957 118.9070 59.0684 29.6722 177.0648 97 R 4.4737 7.2122 117.6493 57.1564 30.8080 177.9898 98 Q 3.9651 8.3771 119.3650 57.0748 29.3072 177.0756 99 A 4.5840 7.4761 123.8393 51.5885 21.4241 175.8767 100 Q 4.1067 8.2271 120.9313 56.5262 28.9595 176.1918 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 -2 A 8.26 4.38 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 -1 T 8.82 3.95 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 1.24 0.00 0.00 2 S 7.97 5.55 0.00 4.01 4.17 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 3 H 8.66 4.49 0.00 3.31 3.39 0.00 5.80 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 4 T 9.40 5.33 4.45 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 1.40 0.00 0.00 5 I 9.25 4.94 1.74 0.00 0.00 0.30 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 0.69 0.84 0.00 0.00 6 L 9.01 5.08 0.00 2.12 1.86 1.11 0.50 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 7 L 9.39 5.05 0.00 1.61 1.58 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.03 4.63 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 1.05 0.00 0.00 1.03 0.00 0.00 9 Q 9.15 4.76 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 10 P 0.00 4.39 0.00 2.14 2.28 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 11 T 7.63 4.98 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 12 K 8.66 3.99 0.00 1.76 1.91 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.37 7.81 13 R 7.38 4.56 0.00 2.48 2.05 0.00 2.88 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 14 P 0.00 4.21 0.00 2.06 2.15 0.00 3.67 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 2.02 2.10 0.00 15 E 7.51 4.19 0.00 1.99 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 2.33 2.30 0.00 16 G 8.88 3.95 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 0.00 0.00 0.00 17 R 7.72 4.34 0.00 1.74 1.93 0.00 3.16 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 18 T 9.11 4.97 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 1.25 0.00 0.00 19 Y 8.29 5.83 0.00 3.13 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 20 A 8.60 4.53 1.05 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 21 D 8.26 5.37 0.00 2.49 2.67 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 22 Y 8.65 5.16 0.00 2.90 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 23 E 9.43 4.55 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.34 0.00 24 S 7.80 4.99 0.00 4.05 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 25 V 8.50 3.74 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 0.98 0.00 0.00 1.15 0.00 0.00 26 N 8.31 4.46 0.00 2.75 2.86 0.00 0.00 6.83 7.66 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 27 E 8.23 4.16 0.00 2.10 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 0.00 2.65 2.37 0.00 28 C 7.93 2.71 0.00 3.05 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 *30 E 8.34 4.32 0.00 2.22 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 0.00 2.29 2.52 0.00 31 G 7.74 3.71 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 0.00 0.00 0.00 32 V 7.55 3.87 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 0.99 0.00 0.00 1.06 0.00 0.00 33 C 8.12 4.46 0.00 3.25 3.15 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 0.00 0.00 0.00 34 K 8.61 4.40 0.00 2.00 1.88 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.69 7.81 *36 Y 7.88 3.98 0.00 2.54 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 37 E 8.35 3.71 0.00 2.27 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 0.00 2.35 2.40 0.00 38 E 8.15 3.94 0.00 1.96 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 2.68 2.48 0.00 39 H 7.86 4.24 0.00 3.18 3.13 0.00 5.87 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 40 L 7.35 3.61 0.00 1.49 1.46 0.38 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.06 4.09 0.00 1.78 1.83 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.53 7.81 42 R 7.17 4.25 0.00 1.82 1.91 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 *44 N 7.94 4.49 0.00 2.70 2.71 0.00 0.00 7.07 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 45 P 0.00 4.39 0.00 2.06 2.09 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 46 N 7.56 4.69 0.00 2.52 2.84 0.00 0.00 6.88 7.45 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 47 S 7.50 4.55 0.00 3.75 3.86 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 0.00 0.00 0.00 48 P 0.00 4.45 0.00 2.07 2.08 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 49 S 7.60 4.77 0.00 3.92 3.77 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 50 I 8.97 4.41 1.84 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 1.27 0.63 0.90 0.00 0.00 51 T 8.34 4.19 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 1.06 0.00 0.00 52 Y 7.21 4.82 0.00 3.28 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 53 D 8.80 4.82 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.16 3.38 1.66 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 -0.20 -0.04 0.79 0.00 0.00 55 S 7.99 4.33 0.00 4.11 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 4.03 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.85 0.00 57 L 7.30 2.67 0.00 1.36 1.57 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.56 4.55 0.00 3.06 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 59 D 8.15 4.34 0.00 2.84 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 60 F 8.34 4.29 0.00 2.97 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 61 I 8.19 3.59 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.08 0.88 0.00 0.00 62 D 8.10 4.41 0.00 2.85 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 63 D 7.57 4.45 0.00 2.65 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 64 L 6.86 4.06 0.00 1.67 1.63 0.75 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.09 4.16 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 66 D 8.57 4.55 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 5.25 0.00 1.62 1.48 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.06 4.98 0.00 4.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.07 5.47 0.00 3.23 3.16 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 0.00 0.00 0.00 70 L 9.17 5.21 0.00 1.46 1.60 0.74 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 71 V 8.98 4.99 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 1.11 0.00 0.00 1.15 0.00 0.00 72 Y 9.24 3.86 0.00 2.75 2.79 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 0.00 0.00 0.00 73 R 7.93 4.56 0.00 1.48 1.77 0.00 3.17 0.00 0.00 3.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 74 A 8.58 3.81 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.04 4.43 0.00 2.72 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 76 T 7.37 4.31 4.15 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 0.00 0.00 1.13 0.00 0.00 77 Q 7.96 3.21 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 78 T 6.91 4.76 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 1.22 0.00 0.00 79 Y 8.43 4.92 0.00 2.89 2.94 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 80 Q 9.25 4.17 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 1.63 1.17 0.00 81 P 0.00 5.00 0.00 1.95 1.89 0.00 3.46 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 1.68 1.84 0.00 82 Y 8.73 4.75 0.00 2.34 2.06 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 83 N 8.72 4.92 0.00 2.98 3.01 0.00 0.00 5.95 6.43 0.00 0.00 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 K 8.64 4.03 0.00 2.00 2.30 0.00 1.49 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.50 7.81 85 D 8.18 4.26 0.00 2.92 2.74 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 0.00 0.00 0.00 86 W 8.77 4.09 0.00 3.44 3.40 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 0.00 87 I 7.94 3.78 2.12 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 1.85 1.06 0.99 0.00 0.00 88 K 8.00 3.68 0.00 1.50 0.74 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.85 1.30 7.81 89 E 7.88 3.84 0.00 1.94 1.82 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 2.17 2.21 0.00 90 K 7.59 3.49 0.00 0.92 1.53 0.00 0.83 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.02 1.23 7.81 91 I 7.96 3.70 2.25 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 1.07 0.00 0.00 92 Y 8.60 4.17 0.00 3.37 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 93 V 8.11 3.54 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 0.89 0.00 0.00 0.90 0.00 0.00 94 L 7.73 4.06 0.00 1.71 1.68 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.01 4.09 0.00 1.52 1.58 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.00 3.67 0.00 1.17 1.75 0.00 2.68 0.00 0.00 3.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 97 R 7.21 4.47 0.00 1.88 1.87 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 98 Q 8.38 3.97 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 99 A 7.48 4.58 1.20 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 0.00 0.00 100 Q 8.23 4.11 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.