NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 G 3.9281 8.3549 109.7356 44.5027 0.0000 173.2485 55 P 4.1621 0.0000 0.0000 61.1495 31.7701 174.3369 56 L 4.2335 8.3648 123.1073 56.7306 43.2670 176.8606 57 G 4.0975 9.6039 114.5331 45.6054 0.0000 174.5708 58 S 4.3761 7.7276 112.4874 58.8174 63.8849 173.4939 59 D 4.9458 7.8866 121.7859 51.7951 43.2262 176.3624 60 L 3.9619 8.6703 126.2291 59.0991 40.5311 179.4801 61 K 4.1901 9.5030 119.4046 58.7617 31.8199 179.0083 62 D 4.3521 8.3341 120.0347 57.2554 40.8405 178.4676 63 A 4.0379 7.6784 119.9162 55.1431 18.3474 179.6227 64 E 3.9421 8.1498 116.4821 59.4158 29.5781 179.1834 65 A 4.0674 8.1628 121.1232 55.1836 18.3997 180.1241 66 V 3.7165 7.9408 117.7589 64.9539 31.5615 178.6588 67 Q 4.0518 8.0939 118.3691 58.7186 28.4986 178.9148 68 K 4.0308 8.2750 119.4501 59.4060 32.0387 179.0531 69 F 4.5385 8.5461 122.4771 60.6942 39.3026 176.7656 70 F 3.9538 8.6256 120.2957 61.2561 39.1641 176.7311 71 L 3.8724 7.9405 119.2778 58.1857 41.7587 178.6046 72 E 3.8517 8.2795 118.6162 59.6530 29.0661 179.3735 73 E 3.7109 7.9181 118.6054 59.2742 29.4127 179.5521 74 I 3.5928 7.3153 119.8741 64.2264 37.0987 178.5442 75 Q 3.9160 8.0635 119.0355 58.7850 28.5148 178.6229 76 L 3.9491 8.1893 121.8545 57.9258 42.1557 178.9916 77 G 3.6762 8.2291 106.0803 48.1977 0.0000 175.5444 78 E 4.0519 8.2448 121.3958 58.5139 29.3988 179.1292 79 E 3.9012 8.2208 119.6483 59.2518 29.6763 178.7543 80 L 3.9804 8.0365 119.0621 57.9579 41.5740 179.6400 81 L 4.1638 8.1665 118.5996 57.8007 41.3542 179.4518 82 A 4.0646 8.0879 119.8010 54.8589 18.3609 179.0336 83 Q 4.2015 7.7483 115.2048 56.4256 29.1468 176.9084 84 G 3.7309 7.4727 107.1602 45.2155 0.0000 174.8239 85 D 4.5055 8.1498 120.9871 53.0695 39.4158 175.8906 86 Y 4.4345 7.7058 122.5357 60.5212 38.2899 176.5818 87 E 3.9472 8.3514 119.7943 59.7754 29.6828 179.0674 88 K 4.2999 8.6454 118.3655 59.0151 32.1139 179.6133 89 G 3.7506 8.2284 106.3048 48.1458 0.0000 175.9457 90 V 3.6114 8.0271 121.2455 65.2768 31.4729 177.5781 91 D 4.3397 7.8896 118.4947 57.9589 40.7169 178.7658 92 H 4.4477 7.8506 117.2513 58.1027 28.7341 177.7735 93 L 3.9385 8.1104 121.2287 58.0708 41.4734 179.6985 94 T 4.0365 8.3348 109.8871 64.3831 68.5826 176.6714 95 N 4.3965 7.9561 118.6977 56.1665 38.6055 176.6186 96 A 4.1641 7.8790 122.0311 55.4947 18.5339 179.7783 97 I 3.8229 7.9165 117.9403 64.5232 36.9401 178.5298 98 A 4.2025 8.0698 120.5195 54.1130 18.2375 178.9556 99 V 4.3584 7.4283 108.4263 60.1821 32.3448 174.8649 100 C 4.4608 7.6075 120.4465 57.6341 32.2273 173.8754 101 G 3.7260 8.6906 116.7479 48.0769 0.0000 173.1337 102 Q 4.3903 7.5307 119.9237 53.0354 29.1681 172.1726 103 P 4.7544 0.0000 0.0000 62.5210 32.0301 177.3387 104 Q 3.9635 8.1384 120.1378 60.4327 28.7479 178.6594 105 Q 4.0104 7.9873 118.1365 58.6676 28.8371 178.2192 106 L 4.0030 7.9752 120.9385 58.3057 42.1401 178.9226 107 L 4.1056 8.2061 118.9318 57.9215 41.4415 179.3136 108 Q 3.8944 8.1389 119.5446 59.1972 28.8652 178.5224 109 V 3.6104 8.1964 119.6490 65.6792 31.5442 178.0356 110 L 4.0269 8.1665 119.2626 57.8649 41.3315 179.5085 111 Q 3.3003 7.8330 116.0178 58.6454 28.4652 177.9381 112 Q 4.0890 7.5351 119.2150 57.4502 28.9386 176.5011 113 T 4.4492 7.3811 107.5633 61.0243 70.3718 174.1203 114 L 4.5598 7.6089 122.5139 52.4304 43.3708 175.2230 115 P 4.2612 0.0000 0.0000 62.2610 32.8790 175.6192 116 P 4.2895 0.0000 0.0000 65.7028 31.1043 177.1252 117 P 4.2549 0.0000 0.0000 65.5276 31.3036 178.5333 118 V 3.6607 7.5537 115.9910 65.7525 31.7926 177.3710 119 F 4.2567 8.4979 120.7702 61.0876 39.0431 177.7689 120 Q 4.1034 8.1605 115.7730 56.0780 28.4522 178.1145 *122 L 4.1000 7.8904 123.4507 55.0820 43.8646 178.6846 123 L 3.8401 7.4733 118.5366 57.8504 41.6552 179.6830 124 T 3.8296 7.5504 107.7286 63.7864 68.7195 175.1044 125 K 4.3255 7.4627 118.9952 55.6063 32.9104 176.0678 126 L 4.0712 7.2623 126.5526 55.5089 41.8693 176.4421 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 54 G 8.35 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 0.00 0.00 0.00 55 P 0.00 4.16 0.00 2.26 1.98 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 56 L 8.36 4.23 0.00 1.58 1.56 0.89 1.18 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 57 G 9.60 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 0.00 0.00 0.00 0.00 58 S 7.73 4.38 0.00 4.02 3.99 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 0.00 0.00 0.00 59 D 7.89 4.95 0.00 2.70 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 60 L 8.67 3.96 0.00 1.86 1.94 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.50 4.19 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.62 7.81 62 D 8.33 4.35 0.00 2.79 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 A 7.68 4.04 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 64 E 8.15 3.94 0.00 2.15 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 2.41 2.57 0.00 65 A 8.16 4.07 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 66 V 7.94 3.72 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 0.88 0.00 0.00 1.03 0.00 0.00 67 Q 8.09 4.05 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 68 K 8.27 4.03 0.00 2.05 2.10 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.60 7.81 69 F 8.55 4.54 0.00 3.13 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.63 3.95 0.00 3.32 3.26 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 71 L 7.94 3.87 0.00 2.02 1.84 0.99 1.15 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 72 E 8.28 3.85 0.00 2.04 1.87 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 2.31 2.41 0.00 73 E 7.92 3.71 0.00 1.57 1.91 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 1.47 1.47 0.00 74 I 7.32 3.59 1.56 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.33 0.78 0.00 0.00 75 Q 8.06 3.92 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 76 L 8.19 3.95 0.00 1.74 1.43 0.53 0.80 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 77 G 8.23 3.68 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 0.00 0.00 0.00 78 E 8.24 4.05 0.00 2.03 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 2.43 2.43 0.00 79 E 8.22 3.90 0.00 2.07 2.07 0.00 0.00 0.00 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 2.38 0.00 80 L 8.04 3.98 0.00 2.08 1.90 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.17 4.16 0.00 1.91 1.84 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.09 4.06 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 83 Q 7.75 4.20 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.73 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 84 G 7.47 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 85 D 8.15 4.51 0.00 2.70 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 86 Y 7.71 4.43 0.00 3.02 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 87 E 8.35 3.95 0.00 2.10 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 2.39 2.48 0.00 88 K 8.65 4.30 0.00 2.05 1.89 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.61 7.81 89 G 8.23 3.75 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 0.00 0.00 0.00 90 V 8.03 3.61 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 1.06 0.00 0.00 0.94 0.00 0.00 91 D 7.89 4.34 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 H 7.85 4.45 0.00 3.25 3.39 0.00 5.64 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 93 L 8.11 3.94 0.00 1.86 1.70 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.33 4.04 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 1.26 0.00 0.00 95 N 7.96 4.40 0.00 3.01 3.16 0.00 0.00 6.96 7.37 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 96 A 7.88 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.92 3.82 2.05 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 1.55 1.30 0.97 0.00 0.00 98 A 8.07 4.20 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.43 4.36 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 0.95 0.00 0.00 1.31 0.00 0.00 100 C 7.61 4.46 0.00 3.22 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 0.00 101 G 8.69 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 0.00 102 Q 7.53 4.39 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.47 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 103 P 0.00 4.75 0.00 2.36 2.30 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 104 Q 8.14 3.96 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 105 Q 7.99 4.01 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 106 L 7.98 4.00 0.00 1.87 1.92 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.21 4.11 0.00 2.02 1.83 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.14 3.89 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 109 V 8.20 3.61 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 0.98 0.00 0.00 0.96 0.00 0.00 110 L 8.17 4.03 0.00 2.19 1.91 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.83 3.30 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 112 Q 7.54 4.09 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 113 T 7.38 4.45 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 1.24 0.00 0.00 114 L 7.61 4.56 0.00 1.80 1.64 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.26 0.00 1.99 1.90 0.00 3.41 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.07 0.00 116 P 0.00 4.29 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 117 P 0.00 4.25 0.00 2.00 2.12 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 118 V 7.55 3.66 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 0.65 0.00 0.00 0.36 0.00 0.00 119 F 8.50 4.26 0.00 3.15 3.19 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 0.00 120 Q 8.16 4.10 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.17 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 *122 L 7.89 4.10 0.00 1.55 1.45 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.47 3.84 0.00 1.74 1.58 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.55 3.83 4.21 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 1.20 0.00 0.00 125 K 7.46 4.33 0.00 1.74 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.31 7.81 126 L 7.26 4.07 0.00 1.67 1.61 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.