NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7990 8.2127 109.7389 45.6248 0.0000 175.2517 *2 S 4.4171 7.9475 114.5107 58.4238 64.1076 175.3651 3 N 4.4319 7.9955 116.7569 55.8045 38.1720 177.5331 4 I 3.6677 7.4854 120.3632 64.6512 37.2358 177.7465 5 Y 3.8427 8.2984 117.0047 61.2398 37.6039 178.4185 6 D 4.4192 8.4767 119.7600 57.7165 40.9717 179.2034 7 S 4.0910 8.1758 115.2618 61.4640 62.6526 176.6476 8 A 3.9659 8.1726 123.6553 55.2192 18.1958 179.5097 9 N 4.3238 8.3751 115.1068 56.4742 38.6395 177.5788 10 E 3.9920 8.5089 120.3748 59.2642 29.4960 179.1814 11 L 4.0055 8.1644 120.8068 57.9174 42.0931 179.2045 12 S 4.0572 7.9105 114.4126 61.3331 63.0189 176.5008 13 R 3.9200 7.8651 121.4616 58.9759 29.6056 179.1785 14 G 3.5505 7.7086 103.9976 47.5870 0.0000 174.9197 15 L 3.9542 7.6894 123.0250 58.1470 41.8467 179.5177 16 R 3.3314 7.5959 116.1277 58.5056 29.9810 178.6395 17 G 3.7542 7.6904 103.7561 44.9203 0.0000 173.8934 18 L 4.1034 7.2798 122.9692 53.7327 42.4096 176.4086 19 P 4.2695 0.0000 0.0000 65.5807 31.0964 178.7477 20 E 3.9249 8.0281 117.1093 59.4252 29.4604 178.3982 21 Y 3.8338 7.7818 118.9019 60.7685 38.9951 177.7841 22 K 3.8498 8.5377 119.4945 59.9065 32.1913 178.9030 23 A 4.0396 7.9237 120.5286 54.7687 18.3508 179.8620 24 V 3.3761 7.4153 116.8242 65.5647 31.4990 178.2796 25 K 3.7427 7.8129 119.3289 59.4186 32.2033 178.6906 26 A 3.9841 7.9043 120.8191 55.0723 18.1411 179.5231 27 A 4.0112 7.9443 119.4255 55.1829 18.5900 179.8395 28 K 3.8121 8.5921 118.6807 59.5663 32.1670 178.9207 29 D 4.2668 8.1883 119.1346 57.2798 40.5425 178.5717 30 A 3.9661 7.6739 119.7117 55.0063 18.5614 179.5600 31 I 3.7491 7.5542 118.1764 64.4197 36.9547 178.3963 32 A 3.8759 7.5569 120.0455 55.0442 18.2613 179.0083 33 A 4.0798 8.0308 118.6761 53.5535 18.8092 177.1609 34 D 4.6698 7.5757 117.4135 52.6630 41.9929 177.1385 35 A 4.0738 8.5325 128.6709 54.7349 18.4946 178.6274 36 E 4.0520 8.1020 117.2316 58.7627 29.9964 178.2631 37 A 4.0811 8.1531 120.7431 55.0001 18.3320 179.6606 38 S 4.0537 7.9561 113.4198 61.6366 62.9048 176.9526 39 K 4.0013 7.7993 121.3702 59.5498 31.9317 178.8593 40 I 3.8310 7.7541 120.0185 64.4062 37.0838 177.8846 41 F 4.2489 8.7738 121.7079 61.8516 39.2702 177.0354 42 T 4.0173 8.8216 115.6474 66.9798 68.3180 176.2462 43 D 4.3952 8.6804 120.8436 57.5462 40.8500 177.8960 44 Y 2.8502 8.6927 121.1156 60.5418 38.7369 178.3612 45 L 3.8096 7.9297 119.2728 57.8564 41.7637 179.5005 46 A 3.9907 7.8688 120.3263 54.9700 18.2461 179.4829 47 F 4.1522 7.8755 119.4540 61.1474 39.3630 177.2865 48 Q 3.4356 7.6918 119.8272 58.8834 28.8292 178.0894 49 E 3.9594 7.9227 118.2968 59.0441 29.3892 178.9215 50 E 3.9604 7.7317 119.0013 59.4768 29.9373 178.8046 51 I 3.9093 7.4458 119.9377 64.2936 37.0772 177.7490 52 Q 4.3074 8.0141 116.1271 57.0894 28.8601 177.8222 53 K 4.0166 7.9035 120.9557 59.2166 32.0822 178.7119 54 L 3.9615 7.7494 118.2679 56.6346 41.2412 178.7124 55 A 4.0158 7.3226 121.1043 54.5885 18.2884 178.5492 56 Q 4.4023 7.3791 112.1696 56.8235 29.1492 176.7836 57 T 4.4205 7.6908 117.4105 62.5457 69.4535 175.1714 58 G 4.1727 7.7392 108.3029 46.3204 0.0000 174.4343 59 Q 4.3935 7.0404 119.5652 54.7767 28.1711 173.8939 *61 P 3.8030 0.0000 0.0000 62.1139 32.6576 176.7694 62 D 4.7368 8.1475 123.1058 52.3215 42.7950 176.4457 63 A 4.0600 8.6501 119.9381 55.6826 18.0850 179.9397 64 S 4.1602 8.2896 112.4070 61.6017 63.1416 176.6622 65 F 4.1733 8.6148 120.3669 60.3083 38.7877 177.3829 66 Q 4.2688 8.3385 116.5321 58.9738 28.9299 178.4250 67 A 4.1924 8.3868 122.0341 55.0638 18.3332 180.3277 68 K 3.3797 7.8156 113.0005 57.3109 31.8063 178.4638 *70 E 4.2060 8.1629 122.0083 56.3158 31.5214 177.8755 71 G 3.4751 7.8243 105.0659 48.0291 0.0000 175.4995 72 F 4.3881 8.0623 121.1212 60.0971 39.0214 178.0822 73 G 3.5829 8.2140 104.8261 47.5436 0.0000 175.5330 74 K 3.9791 8.0401 121.9153 59.3884 32.0205 178.9996 75 Q 3.9974 7.9461 117.4323 58.9493 28.7614 178.6415 76 I 3.7372 7.9345 120.9920 64.5102 36.9003 178.5962 77 Q 4.1315 7.8551 117.6680 58.2873 28.5851 177.8425 78 G 4.1903 7.8710 104.3219 43.4035 0.0000 172.7315 79 N 4.9076 7.6097 120.2704 50.9783 40.7925 175.1518 80 S 4.5719 8.6237 121.6854 60.6718 63.5120 176.2675 81 L 4.0280 7.9860 122.9057 57.8057 41.4171 179.1090 82 L 4.2523 8.0600 118.9161 57.9156 41.6411 179.7822 83 S 4.2095 8.7147 114.7140 61.3716 63.1436 176.0387 84 E 3.9802 8.6089 123.4382 58.9697 29.3645 178.6894 85 F 4.1113 8.4080 120.5101 61.2789 39.4832 177.2030 86 F 3.8823 8.9528 117.8952 60.6988 38.7282 177.7188 87 T 3.9145 8.0292 109.3706 64.8877 68.4610 176.5810 88 K 3.9910 7.9298 120.9768 58.6647 32.1179 179.3134 89 Q 3.6943 8.1027 118.4884 58.9405 27.9458 178.3356 90 Q 3.9014 7.7479 121.1206 59.3371 28.8532 178.5867 91 Q 3.9886 7.3888 117.0479 58.8278 28.8664 178.1843 92 L 4.2212 7.8872 120.9054 57.8158 42.0097 178.5184 93 A 4.0099 8.3566 121.3897 55.4063 18.1363 179.5151 94 I 3.5846 7.2980 117.7586 64.8893 37.1669 178.2368 95 Y 4.0033 7.9771 116.8460 60.9756 37.7660 178.5769 96 L 4.0529 7.8346 120.2221 57.8954 41.8310 179.7571 97 S 4.3016 8.4303 114.5434 61.5012 62.9302 176.1048 98 D 4.3937 8.4267 122.7831 57.1987 40.4403 178.9375 99 I 3.7626 7.9530 120.2096 64.6133 37.1805 177.9374 100 E 3.9958 8.2496 120.3044 59.3482 29.2774 179.1374 101 K 3.9506 7.8944 117.8290 59.8166 32.4762 178.6963 102 I 3.8823 7.7945 118.5837 63.3120 37.0128 177.4552 103 V 4.0074 7.9731 117.1654 63.7271 32.7934 176.6110 104 F 4.5137 7.9444 115.6888 58.9464 40.1646 177.2678 105 E 4.0298 8.4219 119.0255 59.0854 29.1279 177.0041 106 P 4.2476 0.0000 0.0000 65.6529 31.2730 178.5620 107 V 3.7617 7.6976 117.2281 65.0512 31.4647 178.3368 108 S 4.1542 7.7583 114.8493 61.3760 62.6825 176.6512 109 E 4.0524 8.6141 121.2217 59.0603 28.8884 179.0842 110 L 4.0220 7.4302 118.1169 57.3416 41.7241 178.5382 111 L 4.4406 7.7211 116.3596 54.8527 42.2523 176.7157 112 K 4.1778 7.7419 123.3339 56.4577 32.1668 176.3288 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 8.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.42 0.00 3.88 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 3 N 8.00 4.43 0.00 2.83 2.86 0.00 0.00 7.07 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.49 3.67 1.96 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 1.50 0.67 0.81 0.00 0.00 5 Y 8.30 3.84 0.00 3.13 3.08 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 0.00 0.00 0.00 0.00 6 D 8.48 4.42 0.00 2.88 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 7 S 8.18 4.09 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 8 A 8.17 3.97 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 9 N 8.38 4.32 0.00 3.00 2.89 0.00 0.00 7.04 7.18 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 10 E 8.51 3.99 0.00 2.13 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 2.32 2.45 0.00 11 L 8.16 4.01 0.00 1.86 1.81 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.91 4.06 0.00 3.97 4.07 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 0.00 0.00 0.00 13 R 7.87 3.92 0.00 2.06 1.99 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 14 G 7.71 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 3.95 0.00 1.86 1.47 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.60 3.33 0.00 1.82 1.81 0.00 3.11 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.47 0.00 17 G 7.69 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 18 L 7.28 4.10 0.00 1.78 1.40 0.21 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.27 0.00 2.14 2.10 0.00 3.52 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 2.10 2.16 0.00 20 E 8.03 3.92 0.00 1.91 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 0.00 2.56 2.47 0.00 21 Y 7.78 3.83 0.00 3.05 3.10 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 22 K 8.54 3.85 0.00 1.90 1.89 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.61 7.81 23 A 7.92 4.04 1.27 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 0.00 0.00 0.00 24 V 7.42 3.38 1.77 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 0.75 0.00 0.00 0.67 0.00 0.00 25 K 7.81 3.74 0.00 1.48 1.73 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.46 7.81 26 A 7.90 3.98 1.36 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 0.00 0.00 27 A 7.94 4.01 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 3.81 0.00 2.11 1.93 0.00 0.80 0.00 0.00 1.49 0.00 0.00 2.37 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.33 7.81 29 D 8.19 4.27 0.00 2.72 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 30 A 7.67 3.97 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 31 I 7.55 3.75 1.70 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.60 0.00 0.00 32 A 7.56 3.88 1.21 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 0.00 0.00 0.00 33 A 8.03 4.08 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 34 D 7.58 4.67 0.00 2.76 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 35 A 8.53 4.07 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 36 E 8.10 4.05 0.00 2.05 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 0.00 2.37 2.37 0.00 37 A 8.15 4.08 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 38 S 7.96 4.05 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 39 K 7.80 4.00 0.00 1.92 1.98 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.57 7.81 40 I 7.75 3.83 1.99 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 1.70 0.84 1.09 0.00 0.00 41 F 8.77 4.25 0.00 3.19 3.18 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 42 T 8.82 4.02 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 43 D 8.68 4.40 0.00 3.09 3.02 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 0.00 0.00 0.00 44 Y 8.69 2.85 0.00 2.81 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 45 L 7.93 3.81 0.00 2.00 1.64 0.60 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.87 3.99 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 47 F 7.88 4.15 0.00 2.97 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.69 3.44 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 49 E 7.92 3.96 0.00 2.23 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 2.40 2.35 0.00 50 E 7.73 3.96 0.00 2.15 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 2.42 2.38 0.00 51 I 7.45 3.91 1.77 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 0.74 0.51 0.83 0.00 0.00 52 Q 8.01 4.31 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 53 K 7.90 4.02 0.00 2.03 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.57 7.81 54 L 7.75 3.96 0.00 1.71 1.72 0.47 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.32 4.02 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 56 Q 7.38 4.40 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 57 T 7.69 4.42 4.18 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 1.17 0.00 0.00 58 G 7.74 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 0.00 0.00 0.00 59 Q 7.04 4.39 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 6.34 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 *61 P 0.00 3.80 0.00 2.18 2.18 0.00 3.66 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 1.95 2.02 0.00 62 D 8.15 4.74 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 63 A 8.65 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 64 S 8.29 4.16 0.00 4.13 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 0.00 65 F 8.61 4.17 0.00 3.21 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 66 Q 8.34 4.27 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 67 A 8.39 4.19 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 68 K 7.82 3.38 0.00 1.76 0.86 0.00 1.25 0.00 0.00 1.31 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 1.31 7.81 *70 E 8.16 4.21 0.00 2.25 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 2.26 2.37 0.00 71 G 7.82 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.06 4.39 0.00 3.17 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 73 G 8.21 3.58 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 0.00 0.00 0.00 74 K 8.04 3.98 0.00 1.82 1.90 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 75 Q 7.95 4.00 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 76 I 7.93 3.74 1.60 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.76 0.49 0.00 0.00 77 Q 7.86 4.13 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.17 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 78 G 7.87 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 0.00 0.00 0.00 0.00 79 N 7.61 4.91 0.00 2.67 2.74 0.00 0.00 6.97 7.57 0.00 0.00 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 S 8.62 4.57 0.00 4.11 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 81 L 7.99 4.03 0.00 1.90 1.78 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.06 4.25 0.00 1.86 1.73 0.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.71 4.21 0.00 4.02 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 3.98 0.00 2.16 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 2.34 2.41 0.00 85 F 8.41 4.11 0.00 3.29 3.28 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 86 F 8.95 3.88 0.00 3.21 3.14 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 87 T 8.03 3.91 4.26 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 1.25 0.00 0.00 88 K 7.93 3.99 0.00 1.68 1.75 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.53 7.81 89 Q 8.10 3.69 0.00 1.71 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 1.90 2.20 0.00 90 Q 7.75 3.90 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 91 Q 7.39 3.99 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 92 L 7.89 4.22 0.00 1.70 1.74 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.36 4.01 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 94 I 7.30 3.58 1.72 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 1.45 0.48 0.68 0.00 0.00 95 Y 7.98 4.00 0.00 3.22 3.02 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 0.00 0.00 0.00 96 L 7.83 4.05 0.00 1.92 1.73 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.43 4.30 0.00 4.23 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 98 D 8.43 4.39 0.00 3.03 2.78 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 99 I 7.95 3.76 2.09 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 1.49 0.82 1.10 0.00 0.00 100 E 8.25 4.00 0.00 2.04 2.25 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 2.42 2.36 0.00 101 K 7.89 3.95 0.00 1.96 2.03 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 102 I 7.79 3.88 1.90 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 0.71 0.90 0.00 0.00 103 V 7.97 4.01 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 0.18 0.00 0.00 0.93 0.00 0.00 104 F 7.94 4.51 0.00 3.21 3.08 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 0.00 0.00 0.00 0.00 105 E 8.42 4.03 0.00 2.29 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 2.34 2.41 0.00 106 P 0.00 4.25 0.00 2.03 2.10 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 107 V 7.70 3.76 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 0.95 0.00 0.00 0.94 0.00 0.00 108 S 7.76 4.15 0.00 4.09 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 0.00 109 E 8.61 4.05 0.00 2.16 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 2.49 2.50 0.00 110 L 7.43 4.02 0.00 1.80 1.76 0.97 0.86 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 L 7.72 4.44 0.00 1.61 1.71 0.94 0.67 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 0.00 112 K 7.74 4.18 0.00 1.88 1.71 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.