NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1692 8.2649 123.5829 51.8668 20.0483 177.0545 *2 I 4.0558 7.5431 120.8131 62.0699 38.5459 176.1319 3 V 4.2127 8.6682 124.6632 63.6627 33.1264 175.7842 4 G 4.7483 7.5154 104.4693 46.1154 0.0000 172.0840 5 L 5.2808 8.3674 123.3489 53.0660 45.8300 175.3032 6 G 4.3174 9.1043 111.9081 45.0623 0.0000 171.2365 7 T 5.2745 8.2481 115.9901 60.7100 71.2612 172.2222 8 D 4.7305 8.6614 123.7206 53.2394 45.2236 173.7703 9 I 5.1422 8.4948 124.2394 59.1613 41.1096 174.1517 10 A 4.9009 9.3969 129.9267 50.0446 22.4948 174.8184 11 E 4.4628 8.8878 123.2086 55.4430 30.3870 177.2429 12 I 3.7034 8.6164 128.7698 64.5204 37.0868 178.0373 13 E 4.0477 8.0755 119.5815 59.3801 29.4466 178.9917 14 R 3.8408 7.7242 118.4012 59.0135 30.0962 179.1737 15 V 3.5410 7.6112 117.6318 65.8909 31.6298 177.7014 16 E 4.0112 8.3678 118.4811 59.5426 29.2335 179.5221 17 K 3.9287 8.3351 118.4688 59.4059 31.9770 179.2868 18 A 3.7688 7.8031 120.9119 55.0316 18.1523 179.7356 19 L 4.1045 8.1769 117.3451 57.8312 41.4873 179.5000 20 A 4.1150 7.8839 119.8040 54.2499 18.2966 179.2036 21 R 4.2690 7.3895 115.8789 58.0788 31.3930 178.1373 22 S 4.7191 8.3989 112.3825 55.8367 64.8331 176.3416 23 G 4.0333 8.6720 111.1155 46.1156 0.0000 176.6685 24 E 4.0534 9.0400 124.8133 59.1038 28.8263 177.8614 25 N 4.3541 7.9218 115.6134 56.0347 38.8972 177.0025 26 F 4.4850 8.0973 121.3598 61.3365 39.7110 176.8403 27 A 3.3327 7.9965 120.4742 55.2627 17.8035 179.6068 28 R 3.7956 7.9369 115.8647 59.2112 30.1802 178.6217 29 R 4.0574 7.6683 117.3433 58.6912 30.0530 178.1844 30 I 3.5768 7.1106 117.9013 61.3401 38.1751 175.8847 31 L 4.8936 7.1721 118.5414 52.8905 43.7650 177.0926 32 T 4.0422 8.6082 113.0306 61.2960 70.7084 175.4758 33 D 4.3493 8.4965 121.6899 57.7607 40.8694 178.8858 34 S 4.2503 7.9814 112.9553 61.5260 62.5198 175.9752 35 E 4.2191 8.3109 121.2019 59.2287 29.1418 179.2498 36 L 4.0065 8.0236 119.2083 57.5300 41.4143 179.3657 37 E 4.0010 7.8437 117.4763 59.5563 29.1926 179.3869 38 Q 3.9898 7.9730 116.4103 58.6850 29.1915 177.8514 39 F 2.8652 8.0009 121.6578 61.3970 39.1450 177.0426 40 H 3.9752 8.2312 114.3235 58.4466 28.5199 177.2005 41 A 4.0615 7.3861 121.2949 52.9915 18.7263 177.8694 42 S 4.1118 6.8942 112.1547 58.3845 62.8796 173.9704 43 K 4.3883 8.4361 123.9314 56.4877 33.1271 176.6933 44 Q 4.6451 7.9740 117.5017 54.0308 29.3245 176.2126 45 Q 4.0122 7.9470 119.9506 58.8843 29.1602 179.0257 46 G 3.7286 8.1366 106.3486 48.0039 0.0000 175.8828 47 R 3.9980 8.0238 120.2070 58.6232 30.3012 178.4489 48 F 4.0369 8.5530 120.7612 61.5653 39.4247 177.1033 49 L 4.1598 8.8216 119.8673 58.0181 41.9074 178.5767 50 A 4.1123 8.4103 121.0610 55.1928 18.3108 179.8383 51 K 3.9819 7.9675 116.4581 59.6877 32.1077 179.8801 52 R 3.8867 7.8050 117.9158 59.0061 29.9363 178.8117 53 F 3.9651 8.8415 120.6103 61.3573 39.3418 177.1019 54 A 4.6503 8.5957 121.4397 54.6248 18.1691 179.4529 55 A 3.8538 8.1097 119.3117 55.3065 18.4198 180.1028 56 K 3.4415 8.1306 117.0581 59.2589 32.1054 179.5528 57 E 3.6263 8.0728 118.7427 59.1097 29.2478 179.1746 58 A 3.8682 8.0857 120.7996 55.1114 18.4521 179.5292 59 A 3.8105 7.7687 119.4730 55.2413 18.2493 180.0533 60 S 4.1623 7.6752 112.7915 61.4128 63.0482 176.9464 61 K 3.9400 8.0063 122.0203 59.0745 31.8278 179.1159 62 A 4.2483 8.0586 122.6707 54.5799 18.0200 179.6023 63 L 4.0869 7.7741 116.7304 56.0666 41.8123 178.3980 64 G 4.0129 8.0462 106.2567 45.2304 0.0000 173.7574 65 T 4.2095 7.6254 108.5499 60.3399 70.6039 175.9790 66 G 3.9237 7.8114 110.6992 45.6404 0.0000 173.8938 67 I 3.9147 7.8537 117.1775 59.1195 35.5160 174.5383 68 A 4.2165 8.4134 126.8186 52.2470 22.8684 176.0666 69 Q 3.5200 9.8259 114.9062 57.2547 26.1062 175.6702 70 G 3.9234 8.4335 105.8463 45.3180 0.0000 174.3101 71 V 3.9925 7.6590 121.1416 62.2672 32.2261 175.0489 72 T 4.8361 8.4373 116.3044 59.1948 71.9998 174.9196 73 F 4.3543 8.6083 119.6803 61.0851 38.9457 177.4146 74 H 4.6022 7.8186 115.2799 57.8574 28.6590 175.9080 75 D 4.4363 7.9879 118.5319 54.4653 40.8822 175.4234 76 F 5.2900 7.8674 117.9498 55.7956 41.9380 174.7233 77 T 4.8439 9.0352 119.7952 61.8589 71.6524 172.8592 78 I 4.8758 9.0541 128.0442 60.0757 38.9415 175.2297 79 S 4.9305 9.0625 121.3707 57.2319 66.6945 172.1581 80 H 5.4478 8.6149 114.7187 54.5554 32.9264 173.7634 81 D 4.7616 8.8286 121.6520 51.9477 41.0962 177.2378 82 K 4.0454 8.5186 117.2989 59.5270 32.5312 177.5834 83 L 4.2696 8.1324 117.7526 54.7345 41.8841 177.3824 84 G 3.9713 8.1911 107.7179 44.4790 0.0000 173.7120 85 K 4.2603 8.0188 122.3520 55.5724 33.2515 174.2729 86 P 4.7087 0.0000 0.0000 62.7283 32.5529 175.4988 87 L 4.8229 9.0821 121.7150 52.8511 45.6424 174.9951 88 L 5.1521 8.5918 124.6861 53.4116 44.0385 175.2162 89 I 4.5929 8.7540 127.1974 59.5557 39.9208 174.8314 90 L 5.0579 8.5069 126.2570 53.7565 43.4626 175.5334 91 S 4.3726 8.5384 115.6143 56.9644 67.0923 174.5513 92 G 3.8931 8.7738 108.0538 46.5447 0.0000 175.8256 93 Q 3.8892 8.5445 118.9693 58.9174 28.9557 178.0270 94 A 3.8462 7.9310 121.2687 55.0987 18.3233 179.3221 95 A 3.8529 7.7095 119.1837 55.1427 18.4427 179.4603 96 E 3.8403 8.0858 117.8562 59.3569 29.7263 179.0747 97 L 3.9366 8.2594 119.1444 57.7705 41.6556 179.2286 98 A 4.0232 8.1812 121.0905 55.3189 18.2739 179.8851 99 S 4.1159 8.2806 112.7193 61.6152 62.8675 176.7557 100 Q 4.0184 7.8377 120.9822 58.5311 28.5659 177.8685 101 L 4.2381 7.8089 116.9994 54.2853 42.0856 176.7363 102 Q 3.5037 8.0778 117.7173 56.5562 26.7915 173.6127 103 V 3.9725 8.1466 118.6100 63.1997 31.7702 175.0309 104 E 4.7325 9.1232 124.6368 56.0782 31.8331 175.8967 105 N 5.0471 8.0525 117.3704 51.4088 42.9447 173.1831 106 I 4.8832 8.3368 123.2327 59.7694 40.1633 174.4679 107 H 5.0169 9.1862 124.0565 53.8408 31.8361 172.8003 108 L 5.1926 8.4708 123.5284 53.4768 45.2893 175.2009 109 S 4.8256 9.0296 119.3081 56.6636 66.1930 172.5404 110 I 5.0189 8.2894 124.7723 59.7890 40.5957 174.7567 111 S 4.6897 8.4419 118.2419 56.8472 65.5164 172.4977 112 D 5.1590 8.4459 124.4006 51.6132 42.5454 174.7200 113 E 4.9102 8.6468 118.7862 54.9629 32.1631 174.9586 114 R 3.9968 7.9398 116.1466 59.9068 30.2399 177.3045 115 H 4.6131 8.5298 112.0497 55.5089 30.9534 173.2779 116 Y 5.3344 7.9206 115.9886 56.0319 42.1033 174.4159 117 A 5.4894 9.2384 123.5515 49.1211 23.1206 174.8350 *119 A 4.5441 8.2260 119.1119 52.4418 20.5051 175.9936 120 T 5.0763 8.5156 115.4358 61.7745 73.0555 173.3819 121 V 5.0026 8.9202 124.2756 61.2279 35.2873 174.1329 122 I 5.0260 8.8577 127.6037 59.5067 40.7679 174.2148 123 L 5.1336 8.8397 126.4490 52.9487 44.4122 175.1134 124 E 4.9899 9.1259 123.7793 54.2373 33.2934 175.8746 125 R 4.7900 8.5027 120.5915 55.5990 29.8585 175.9872 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 A 8.26 4.17 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 *2 I 7.54 4.06 1.87 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 1.30 0.59 0.93 0.00 0.00 3 V 8.67 4.21 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 0.74 0.00 0.00 0.93 0.00 0.00 4 G 7.52 4.75 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 5 L 8.37 5.28 0.00 1.71 1.44 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.10 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 7 T 8.25 5.27 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 8 D 8.66 4.73 0.00 2.79 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 9 I 8.49 5.14 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 0.91 0.00 0.00 10 A 9.40 4.90 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 11 E 8.89 4.46 0.00 2.16 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 2.25 2.07 0.00 12 I 8.62 3.70 1.86 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 1.42 0.42 0.90 0.00 0.00 13 E 8.08 4.05 0.00 1.96 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 2.35 2.38 0.00 14 R 7.72 3.84 0.00 1.94 1.86 0.00 3.27 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 15 V 7.61 3.54 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 1.28 0.00 0.00 0.80 0.00 0.00 16 E 8.37 4.01 0.00 2.19 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 2.36 2.53 0.00 17 K 8.34 3.93 0.00 1.84 1.80 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.59 7.81 18 A 7.80 3.77 0.68 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 19 L 8.18 4.10 0.00 1.98 1.87 1.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.88 4.11 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 21 R 7.39 4.27 0.00 1.68 1.95 0.00 3.03 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 22 S 8.40 4.72 0.00 3.81 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 23 G 8.67 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 24 E 9.04 4.05 0.00 2.05 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 0.00 2.48 2.41 0.00 25 N 7.92 4.35 0.00 2.95 2.95 0.00 0.00 6.97 7.14 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 26 F 8.10 4.48 0.00 3.03 3.23 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 27 A 8.00 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.94 3.80 0.00 2.02 1.96 0.00 3.29 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 29 R 7.67 4.06 0.00 1.92 1.98 0.00 3.37 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 30 I 7.11 3.58 1.42 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.17 0.63 0.00 0.00 31 L 7.17 4.89 0.00 1.44 1.51 0.47 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.61 4.04 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 1.23 0.00 0.00 33 D 8.50 4.35 0.00 2.65 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 34 S 7.98 4.25 0.00 3.90 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 35 E 8.31 4.22 0.00 2.26 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 2.43 2.41 0.00 36 L 8.02 4.01 0.00 1.91 1.63 0.91 0.60 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 37 E 7.84 4.00 0.00 2.17 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 2.36 2.55 0.00 38 Q 7.97 3.99 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 39 F 8.00 2.87 0.00 2.63 2.90 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 40 H 8.23 3.98 0.00 3.06 3.24 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.39 4.06 1.28 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 42 S 6.89 4.11 0.00 3.56 3.49 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 43 K 8.44 4.39 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.38 7.81 44 Q 7.97 4.65 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 45 Q 7.95 4.01 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 1.64 2.17 0.00 46 G 8.14 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 47 R 8.02 4.00 0.00 2.04 2.03 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.55 4.04 0.00 3.24 3.37 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 49 L 8.82 4.16 0.00 2.11 1.94 0.64 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.41 4.11 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 51 K 7.97 3.98 0.00 1.87 1.80 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.60 7.81 52 R 7.80 3.89 0.00 1.98 1.97 0.00 3.24 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 53 F 8.84 3.97 0.00 3.14 3.25 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 0.00 54 A 8.60 4.65 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 55 A 8.11 3.85 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 56 K 8.13 3.44 0.00 1.88 1.73 0.00 1.88 0.00 0.00 2.16 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.71 7.81 57 E 8.07 3.63 0.00 1.93 1.84 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 0.00 2.02 1.79 0.00 58 A 8.09 3.87 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 59 A 7.77 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.68 4.16 0.00 4.07 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 61 K 8.01 3.94 0.00 1.94 1.85 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.57 7.81 62 A 8.06 4.25 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 63 L 7.77 4.09 0.00 1.89 1.78 1.08 1.06 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 64 G 8.05 4.01 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 0.00 65 T 7.63 4.21 4.36 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 1.20 0.00 0.00 66 G 7.81 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 0.00 0.00 0.00 67 I 7.85 3.91 1.66 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.08 0.64 0.00 0.00 68 A 8.41 4.22 1.14 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 0.00 0.00 69 Q 9.83 3.52 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 G 8.43 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 0.00 0.00 0.00 71 V 7.66 3.99 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 1.00 0.00 0.00 0.89 0.00 0.00 72 T 8.44 4.84 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 73 F 8.61 4.35 0.00 3.34 3.36 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 74 H 7.82 4.60 0.00 3.18 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.99 4.44 0.00 2.09 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 0.00 0.00 0.00 0.00 76 F 7.87 5.29 0.00 2.95 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 77 T 9.04 4.84 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 78 I 9.05 4.88 1.86 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 1.24 0.39 0.80 0.00 0.00 79 S 9.06 4.93 0.00 3.82 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 80 H 8.61 5.45 0.00 2.98 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.83 4.76 0.00 2.91 2.84 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 0.00 0.00 0.00 0.00 82 K 8.52 4.05 0.00 1.90 2.00 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 L 8.13 4.27 0.00 1.80 1.75 0.93 0.78 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 84 G 8.19 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 0.00 0.00 0.00 85 K 8.02 4.26 0.00 1.87 2.04 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.45 7.81 86 P 0.00 4.71 0.00 2.04 1.96 0.00 3.76 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 2.15 1.99 0.00 87 L 9.08 4.82 0.00 1.50 1.53 0.92 0.50 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 88 L 8.59 5.15 0.00 1.61 1.55 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.75 4.59 1.88 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 1.23 0.45 0.91 0.00 0.00 90 L 8.51 5.06 0.00 1.47 1.46 0.93 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 91 S 8.54 4.37 0.00 3.77 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 92 G 8.77 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 0.00 0.00 0.00 93 Q 8.54 3.89 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 94 A 7.93 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.71 3.85 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 96 E 8.09 3.84 0.00 2.08 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 2.28 2.37 0.00 97 L 8.26 3.94 0.00 1.84 1.69 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.18 4.02 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 99 S 8.28 4.12 0.00 4.05 4.12 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 0.00 100 Q 7.84 4.02 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 101 L 7.81 4.24 0.00 1.77 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.08 3.50 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 103 V 8.15 3.97 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 0.77 0.00 0.00 0.93 0.00 0.00 104 E 9.12 4.73 0.00 1.94 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 2.26 2.24 0.00 105 N 8.05 5.05 0.00 2.69 2.62 0.00 0.00 6.93 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 0.00 106 I 8.34 4.88 1.84 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 1.34 0.59 0.92 0.00 0.00 107 H 9.19 5.02 0.00 3.03 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.47 5.19 0.00 1.55 1.45 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.03 4.83 0.00 3.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.29 5.02 1.86 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 1.21 0.76 0.90 0.00 0.00 111 S 8.44 4.69 0.00 3.80 3.65 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 0.00 112 D 8.45 5.16 0.00 2.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 4.91 0.00 2.05 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 2.28 2.40 0.00 114 R 7.94 4.00 0.00 1.73 1.81 0.00 3.06 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 115 H 8.53 4.61 0.00 2.82 2.62 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.92 5.33 0.00 3.08 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 0.00 117 A 9.24 5.49 1.28 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 *119 A 8.23 4.54 1.22 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 0.00 0.00 0.00 120 T 8.52 5.08 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 0.00 121 V 8.92 5.00 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 1.02 0.00 0.00 0.87 0.00 0.00 122 I 8.86 5.03 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.93 0.00 0.00 123 L 8.84 5.13 0.00 1.58 1.55 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.13 4.99 0.00 2.05 1.76 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 2.20 2.23 0.00 125 R 8.50 4.79 0.00 2.07 1.88 0.00 2.72 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.