NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.9649 8.0549 120.3831 61.6587 32.7849 175.7320 4 P 4.0491 0.0000 0.0000 62.3358 33.0315 175.8699 5 L 3.9418 8.2149 121.3304 58.0870 42.0662 179.2154 6 Y 4.2688 7.7658 117.2359 59.8799 37.7952 178.2888 7 K 3.9242 6.8825 121.0317 59.2870 32.3857 178.6311 8 Q 3.9462 7.9369 118.3941 58.9597 28.7216 179.0031 9 I 3.6115 8.1178 120.8980 64.2748 37.1823 178.2293 10 A 4.0432 8.0201 121.5863 55.5129 18.2018 179.9383 11 S 4.2842 8.4552 113.8907 61.6361 62.8391 176.9056 12 L 4.0598 7.9861 121.8672 57.7752 41.3109 179.6854 13 I 3.7294 7.6886 119.3507 64.3536 37.0680 178.2719 14 E 3.9677 8.3027 119.4389 59.5291 29.3236 178.9917 15 D 4.3971 8.5154 119.2530 57.7868 40.9207 179.2701 16 S 4.3930 7.9570 116.6567 60.9890 62.8485 176.9487 17 I 3.9393 7.7037 122.7424 64.1845 36.6576 178.6062 18 V 3.6009 8.0098 118.4949 66.1216 31.5822 177.5434 19 D 4.5603 8.4286 116.4779 54.9727 40.6276 177.4390 20 G 3.9311 7.6276 107.3166 46.0318 0.0000 174.6077 21 T 4.1104 7.8582 109.9302 62.0718 69.3899 173.9653 22 L 4.6929 7.6802 123.9750 53.3199 44.1129 175.5156 23 S 4.7603 8.9486 121.8208 56.3046 65.4107 173.8786 24 I 4.1730 8.2948 118.9361 63.1230 38.0294 176.1228 25 D 5.2324 7.9554 119.1796 53.9175 41.0614 176.4899 26 Q 4.3786 7.8959 119.0371 53.7021 31.4866 174.3406 27 R 2.5100 8.2653 125.4514 56.4133 30.4472 175.7688 28 V 3.8685 7.4082 124.0200 60.8630 32.6193 173.8264 29 P 4.3731 0.0000 0.0000 63.1036 31.7932 177.1375 30 S 4.4454 9.1703 118.3367 57.6603 65.3503 175.4967 31 T 3.8564 8.4395 118.4853 67.1734 68.1050 176.0939 32 N 4.4271 8.1128 117.9620 56.7561 39.0043 176.6149 33 E 4.0095 7.8971 120.1148 59.3101 29.5921 179.3160 34 L 4.0720 8.6886 119.2415 57.6375 41.7166 179.2872 35 A 4.0398 8.4402 120.9276 55.2154 18.1122 179.6202 36 A 3.9673 7.8234 118.0309 55.5672 18.3212 179.2136 37 F 4.1855 8.4833 119.5065 61.6577 39.3505 176.5944 38 H 4.2082 8.5054 115.7712 55.7231 29.8671 175.1718 39 R 3.7976 7.3264 119.6608 57.5000 28.4151 173.1871 40 I 4.6771 7.6639 110.5157 58.5145 41.5025 174.9684 41 N 4.5264 8.4161 118.2520 52.7687 39.6775 173.5148 42 P 4.2554 0.0000 0.0000 65.9688 31.4825 178.7726 43 A 4.1963 8.0782 118.6344 55.2853 18.1743 179.8187 44 T 3.9016 7.9540 114.2932 66.8178 68.6264 176.8847 45 A 4.0415 7.9937 122.2291 55.0245 18.3898 179.3808 46 R 3.9027 8.3538 118.9116 59.2780 30.3378 178.5188 47 N 4.3989 8.3945 116.2743 56.1024 38.1248 177.7828 48 G 3.6756 8.0758 107.1907 47.8542 0.0000 175.8554 49 L 4.0512 8.0679 121.9966 57.8055 41.5815 179.8173 50 T 3.9021 8.3569 116.1108 66.4172 68.4788 176.3590 51 L 3.9808 7.8724 122.0710 58.3113 42.0047 179.1306 52 L 4.1939 7.6915 118.5669 57.2771 41.5169 179.6375 53 V 3.8703 7.6367 119.8303 65.6676 31.4266 177.9279 54 E 4.2166 8.4537 116.4576 58.2932 29.3627 178.0543 55 A 4.5959 7.4293 118.0501 51.2248 19.6188 177.5120 56 G 3.9080 8.4237 105.6378 45.9259 0.0000 174.7427 57 I 4.2215 8.1665 123.1384 62.3899 38.2914 175.8916 58 L 5.5066 7.9550 120.1995 53.0076 45.6846 175.3031 59 Y 4.9956 8.6343 118.8057 55.2773 41.4650 174.2954 60 K 4.5066 8.8466 122.1488 55.4045 33.6927 175.7970 61 K 4.4020 9.0264 129.3178 54.5915 32.4776 175.1991 62 R 3.8493 8.5167 124.8002 57.5440 29.9912 177.4895 63 G 3.9942 8.9702 110.3713 46.0088 0.0000 173.2271 64 I 4.3980 9.1350 118.5845 61.2807 40.5055 177.7685 65 G 4.3165 8.5635 111.8372 46.4715 0.0000 173.3134 *67 F 4.3440 8.3359 118.6218 57.0246 41.8273 174.7121 68 V 4.6054 7.9733 119.7685 61.7363 33.1233 175.1762 69 S 4.7175 9.2058 123.0533 58.2431 62.9517 175.0859 70 A 4.1101 8.9002 128.9422 54.7910 18.6494 178.2390 71 Q 4.4605 7.8960 112.9029 56.2494 29.1761 177.4766 72 A 4.0102 8.1501 123.0161 55.3648 18.3551 178.4961 73 P 4.1788 0.0000 0.0000 65.9097 31.3504 178.6859 74 A 4.0517 7.9718 118.8666 55.0263 18.2542 179.5703 75 L 3.9658 8.0083 117.6043 57.9985 41.6561 179.7990 76 I 3.7183 8.0944 120.1169 64.2025 36.9500 178.4875 77 R 3.8583 8.0372 119.4696 59.5890 30.0018 178.3662 78 E 3.9760 8.4940 118.7440 59.3507 29.4088 179.4547 79 R 3.9034 8.2655 118.7879 59.6775 30.2576 178.8668 80 R 4.0035 8.2431 117.9475 59.3100 29.9477 178.8785 81 D 4.4544 8.5936 119.0419 57.3313 40.8465 178.6430 82 A 4.0605 8.2825 121.1770 55.0155 18.2935 179.5864 83 A 4.0194 8.3665 119.6332 55.0370 18.3396 179.6694 84 F 4.3456 8.4064 119.0741 61.4844 39.4721 177.1924 85 A 3.7491 8.3547 120.1898 55.1606 16.8154 179.5183 86 A 3.8866 8.0785 119.2315 55.6329 18.2270 180.0577 87 T 3.8979 7.9418 113.3581 66.1409 68.6061 175.9018 88 Y 4.2930 7.9105 117.0560 58.5964 39.3493 177.4595 89 V 3.9529 7.6580 118.5579 64.4945 32.2683 177.5201 90 A 3.9629 7.2470 118.5868 54.8772 18.2498 178.0025 91 P 4.1928 0.0000 0.0000 65.5305 31.3648 178.3699 92 L 3.9224 7.7750 120.0409 58.1283 42.1284 178.8262 93 I 3.7204 7.9140 119.8356 64.3580 37.0661 178.0336 94 D 4.3198 8.1347 119.7492 57.5774 40.6383 178.6889 95 E 3.9294 8.3072 119.5805 59.1900 29.5286 178.9892 96 S 3.8089 7.9478 115.4316 61.4989 63.0194 176.7401 97 I 3.6988 7.7459 122.4847 64.5089 36.6235 177.8769 98 H 4.1152 7.9576 117.9289 59.2986 29.8257 176.8120 99 L 3.9998 7.7917 118.3314 54.7109 41.6145 177.1771 100 G 3.8076 7.5302 106.5019 46.4620 0.0000 174.0962 101 F 4.8294 8.2271 118.0556 57.0733 40.0281 176.3158 102 T 4.5022 8.1406 113.7957 60.4949 71.7846 175.8902 103 R 3.9125 8.4341 120.4161 59.5446 29.9811 178.2463 104 A 4.0117 7.9728 120.0799 55.0904 18.3816 179.2894 105 R 3.6948 7.8887 117.1438 59.6113 30.1161 178.5768 106 I 3.6568 7.6648 118.0502 64.5071 38.1081 177.6315 107 H 4.2168 8.2536 116.7983 58.6674 28.4517 177.7114 108 A 4.0368 8.2537 123.0565 54.9807 18.2047 179.6664 109 L 3.9216 8.1618 117.8797 57.6555 41.6820 179.3983 110 L 3.9591 7.9295 120.2604 58.4519 42.0246 178.8926 111 D 4.3767 8.0125 118.4904 57.3049 40.4998 178.5010 112 Q 3.9296 8.2912 119.6995 59.1641 29.3589 178.3571 113 V 3.7173 7.9968 119.0132 65.8246 31.3938 177.7627 114 A 3.9932 7.8192 119.3481 55.4428 18.3509 179.3400 115 E 4.2909 8.2882 115.3955 57.7242 30.3361 177.3586 116 S 4.4879 7.6376 112.5266 56.2129 62.7557 173.7767 117 R 4.2168 8.2495 123.2216 55.8152 30.0151 176.5736 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 3 V 8.05 3.96 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 0.87 0.00 0.00 0.89 0.00 0.00 4 P 0.00 4.05 0.00 1.23 1.68 0.00 3.42 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 1.93 2.13 0.00 5 L 8.21 3.94 0.00 1.69 1.72 0.92 0.75 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 6 Y 7.77 4.27 0.00 3.36 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 7 K 6.88 3.92 0.00 1.47 1.65 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.49 7.81 8 Q 7.94 3.95 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 9 I 8.12 3.61 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.35 0.93 0.00 0.00 10 A 8.02 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.46 4.28 0.00 3.97 3.92 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 0.00 0.00 0.00 12 L 7.99 4.06 0.00 1.89 1.73 0.92 0.92 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 I 7.69 3.73 2.04 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 1.52 0.70 0.90 0.00 0.00 14 E 8.30 3.97 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 2.35 2.63 0.00 15 D 8.52 4.40 0.00 2.84 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 16 S 7.96 4.39 0.00 4.03 3.89 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 17 I 7.70 3.94 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.93 0.00 0.00 18 V 8.01 3.60 2.20 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 0.83 0.00 0.00 1.01 0.00 0.00 19 D 8.43 4.56 0.00 2.63 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 20 G 7.63 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 21 T 7.86 4.11 4.22 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 1.20 0.00 0.00 22 L 7.68 4.69 0.00 1.54 1.53 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.95 4.76 0.00 4.00 3.88 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 24 I 8.29 4.17 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.97 0.00 0.00 25 D 7.96 5.23 0.00 2.76 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 26 Q 7.90 4.38 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 27 R 8.27 2.51 0.00 1.44 1.56 0.00 3.22 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.00 28 V 7.41 3.87 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 0.79 0.00 0.00 0.76 0.00 0.00 29 P 0.00 4.37 0.00 2.02 1.90 0.00 3.64 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 1.91 1.95 0.00 30 S 9.17 4.45 0.00 4.00 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 31 T 8.44 3.86 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 1.26 0.00 0.00 32 N 8.11 4.43 0.00 2.83 2.81 0.00 0.00 7.15 7.65 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 33 E 7.90 4.01 0.00 2.16 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 2.31 2.33 0.00 34 L 8.69 4.07 0.00 1.89 1.84 0.98 0.96 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 35 A 8.44 4.04 1.40 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 0.00 0.00 36 A 7.82 3.97 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 37 F 8.48 4.19 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 38 H 8.51 4.21 0.00 3.33 3.35 0.00 5.86 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 39 R 7.33 3.80 0.00 1.86 1.86 0.00 3.15 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 40 I 7.66 4.68 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.98 0.00 0.00 41 N 8.42 4.53 0.00 2.84 2.75 0.00 0.00 6.89 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 42 P 0.00 4.26 0.00 2.20 2.11 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 43 A 8.08 4.20 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 44 T 7.95 3.90 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 1.30 0.00 0.00 45 A 7.99 4.04 1.40 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 0.00 0.00 46 R 8.35 3.90 0.00 1.96 2.14 0.00 3.14 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 47 N 8.39 4.40 0.00 2.95 2.47 0.00 0.00 6.99 7.24 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 48 G 8.08 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 49 L 8.07 4.05 0.00 1.87 1.73 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.36 3.90 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 1.19 0.00 0.00 51 L 7.87 3.98 0.00 1.94 1.99 0.98 0.56 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 52 L 7.69 4.19 0.00 1.90 1.72 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.64 3.87 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 1.21 0.00 0.00 0.98 0.00 0.00 54 E 8.45 4.22 0.00 1.97 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 2.36 2.62 0.00 55 A 7.43 4.60 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 56 G 8.42 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 57 I 8.17 4.22 2.07 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 1.26 0.67 0.95 0.00 0.00 58 L 7.96 5.51 0.00 1.58 1.56 0.91 0.79 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 59 Y 8.63 5.00 0.00 2.92 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 60 K 8.85 4.51 0.00 1.83 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 61 K 9.03 4.40 0.00 1.60 1.71 0.00 1.33 0.00 0.00 1.44 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.29 7.81 62 R 8.52 3.85 0.00 1.85 1.92 0.00 3.37 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 63 G 8.97 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 0.00 0.00 0.00 64 I 9.14 4.40 2.12 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 1.29 0.88 1.16 0.00 0.00 65 G 8.56 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 0.00 0.00 0.00 0.00 *67 F 8.34 4.34 0.00 1.91 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 68 V 7.97 4.61 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 1.06 0.00 0.00 0.90 0.00 0.00 69 S 9.21 4.72 0.00 4.13 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 70 A 8.90 4.11 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 71 Q 7.90 4.46 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 72 A 8.15 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.18 2.14 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 74 A 7.97 4.05 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 75 L 8.01 3.97 0.00 1.91 1.75 1.00 0.64 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 76 I 8.09 3.72 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.93 0.00 0.00 77 R 8.04 3.86 0.00 1.98 2.16 0.00 3.25 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 78 E 8.49 3.98 0.00 2.14 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 2.35 2.41 0.00 79 R 8.27 3.90 0.00 2.01 1.95 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 80 R 8.24 4.00 0.00 1.96 2.00 0.00 3.19 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 81 D 8.59 4.45 0.00 2.91 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 82 A 8.28 4.06 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.37 4.02 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 84 F 8.41 4.35 0.00 3.26 3.39 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 85 A 8.35 3.75 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 86 A 8.08 3.89 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 87 T 7.94 3.90 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 0.54 0.00 0.00 88 Y 7.91 4.29 0.00 2.42 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 89 V 7.66 3.95 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 1.01 0.00 0.00 0.73 0.00 0.00 90 A 7.25 3.96 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 91 P 0.00 4.19 0.00 2.21 2.25 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 92 L 7.78 3.92 0.00 1.85 1.91 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.91 3.72 1.98 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 1.72 0.77 0.91 0.00 0.00 94 D 8.13 4.32 0.00 2.87 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 95 E 8.31 3.93 0.00 2.10 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 2.26 2.28 0.00 96 S 7.95 3.81 0.00 4.13 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 97 I 7.75 3.70 2.01 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 1.41 1.30 0.90 0.00 0.00 98 H 7.96 4.12 0.00 3.03 3.46 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.79 4.00 0.00 0.84 0.82 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.53 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 0.00 101 F 8.23 4.83 0.00 2.97 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 0.00 102 T 8.14 4.50 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 1.25 0.00 0.00 103 R 8.43 3.91 0.00 1.94 2.01 0.00 3.23 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 104 A 7.97 4.01 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 0.00 105 R 7.89 3.69 0.00 1.85 1.99 0.00 2.80 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.05 0.00 106 I 7.66 3.66 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.98 1.03 0.00 0.00 107 H 8.25 4.22 0.00 3.39 3.33 0.00 5.67 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 0.00 108 A 8.25 4.04 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 0.00 109 L 8.16 3.92 0.00 1.89 1.72 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.93 3.96 0.00 1.78 1.88 0.95 1.32 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 0.00 111 D 8.01 4.38 0.00 2.90 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 0.00 112 Q 8.29 3.93 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 113 V 8.00 3.72 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 0.97 0.00 0.00 1.02 0.00 0.00 114 A 7.82 3.99 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 0.00 115 E 8.29 4.29 0.00 2.04 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 2.34 2.41 0.00 116 S 7.64 4.49 0.00 3.79 3.87 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 0.00 117 R 8.25 4.22 0.00 1.84 1.82 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 * Residues marked with a * may have inaccurate shift predictions.