NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4161 8.3049 120.3394 55.9340 33.5019 176.1896 2 K 4.1727 7.5874 118.1274 55.6725 34.3847 175.3130 3 T 3.8802 7.1483 123.7133 61.5394 68.7592 174.7072 4 Y 4.3024 5.4173 124.0558 56.9715 37.2989 177.1817 5 V 4.0826 7.4200 121.0065 60.1859 32.6588 175.1363 6 P 4.3599 0.0000 0.0000 62.1463 31.8314 176.6819 7 K 4.2345 8.3520 121.6477 55.2858 33.1493 175.8458 8 Q 3.8765 8.5960 118.5203 56.5688 28.3572 177.5319 9 V 3.7800 8.2569 122.9072 62.6372 32.3190 174.6666 10 E 4.4837 8.1882 121.5904 53.3543 30.2312 172.6884 11 P 4.2193 0.0000 0.0000 61.9534 31.3681 175.3407 12 R 4.6062 8.8048 124.2291 54.8912 31.8218 174.5615 13 W 5.1153 9.0124 126.0933 55.0963 31.0134 175.3994 14 V 4.6757 8.8823 125.1207 60.9647 33.9687 173.8306 15 L 5.2466 8.1320 127.4492 53.4959 44.9817 174.9632 16 I 4.6156 8.3955 124.7798 59.6464 41.7600 173.8937 17 D 5.0277 8.2208 127.6247 52.9759 41.5310 175.5138 18 A 4.3835 7.6586 126.9408 51.2797 18.5794 178.6312 19 E 3.9656 8.2967 123.9243 60.2596 30.0069 180.1161 20 G 3.7972 7.9528 105.5776 45.0080 0.0000 172.8387 21 K 4.4247 8.5070 122.4068 54.9758 34.2764 176.0663 22 T 4.4258 8.3758 121.2087 63.4974 69.1331 173.5461 23 L 3.6865 8.3399 129.5160 57.1758 42.5250 176.5781 24 G 4.3811 9.2263 119.3099 46.3732 0.0000 176.1145 25 R 3.9311 7.6368 118.2462 57.6862 30.3116 178.4131 26 L 4.1875 7.6351 119.9666 57.5187 42.5330 178.0479 27 A 3.9868 8.0695 120.2331 55.7101 18.2177 179.2385 28 T 3.8029 8.4291 114.2660 67.0674 68.6220 176.7744 29 K 3.9392 7.9665 119.3966 59.6020 32.2800 179.3940 30 I 3.7167 7.8641 119.6678 63.7970 36.8385 178.5184 31 A 3.9319 7.7381 121.6647 55.5651 18.4692 179.8533 32 T 3.6783 7.6940 113.8393 66.4058 68.4014 176.5192 33 L 3.8500 7.8790 122.4081 57.5776 42.0964 178.8257 34 L 3.8549 7.6124 118.7173 56.5594 41.6973 177.5117 35 R 4.5984 7.5244 117.1868 55.1160 31.4026 178.0521 36 G 4.1315 8.8170 111.6774 45.7705 0.0000 173.0968 37 K 3.5943 7.7783 119.9489 57.8565 33.1201 176.8411 38 H 4.6219 8.3180 111.7680 55.5462 29.2940 174.9239 39 R 4.3639 7.4829 121.0312 54.3214 30.9920 175.4840 40 P 4.5117 0.0000 0.0000 64.6105 31.5235 176.1972 41 D 4.9522 7.6663 119.0960 51.8500 39.8259 176.5230 42 W 4.5976 7.6422 127.8757 59.6218 31.2428 175.1881 43 T 3.8738 7.6869 120.9893 60.6848 70.1766 172.6993 44 P 3.3130 0.0000 0.0000 64.4183 31.2068 176.9049 45 N 4.8001 7.6916 114.2449 52.2243 37.6703 175.1196 46 V 4.0044 7.4664 118.9239 61.4106 33.3256 174.1339 47 A 3.6679 8.3022 122.5505 52.3051 14.6845 177.0010 48 M 4.8936 7.7873 122.7121 54.2758 31.0175 175.5572 49 G 4.6525 7.8841 105.8709 45.3345 0.0000 173.5801 50 D 4.9528 8.4491 119.6585 53.7448 42.3146 176.8202 51 F 3.9697 8.8437 120.1440 56.3975 40.1488 175.1927 52 V 4.4155 7.8769 125.3415 61.3043 33.2860 174.7170 53 V 4.6945 9.1567 129.5253 61.6038 33.0424 174.3265 54 V 5.4845 9.1502 129.6776 60.6441 33.2279 175.4038 55 V 4.6115 8.4941 126.8707 59.4391 34.1741 174.7592 56 N 4.2354 8.7025 115.2870 54.2329 36.1003 175.1033 57 A 4.3091 8.6218 120.8511 53.2592 19.2579 177.6857 58 D 3.9576 9.4702 113.6206 54.6544 39.8298 174.3863 59 K 3.9998 8.9436 111.4361 57.8956 31.2000 175.1861 60 I 4.7982 8.5813 111.8029 60.6762 38.2344 176.4249 61 R 4.5618 9.0669 124.1617 56.0868 32.0198 176.0031 62 V 4.8087 7.8870 119.8613 60.9247 34.3479 174.6571 63 T 4.1533 8.8134 115.8399 60.8318 70.2681 174.7034 64 G 3.9277 8.2164 108.8546 46.6058 0.0000 173.0928 65 K 4.5030 8.1819 115.7824 56.6389 33.0131 179.4075 66 K 3.9601 7.6960 120.3600 59.3444 32.3036 178.1633 67 L 4.3165 7.5724 117.4549 55.8913 42.1988 175.8777 68 E 4.3972 9.1016 122.7444 56.2150 28.1831 175.4793 69 Q 4.3803 7.3388 115.2567 56.6304 30.9881 176.0366 70 K 4.0220 8.4833 121.0309 56.4535 33.0838 175.8838 71 I 4.9269 8.1583 128.3149 59.8706 39.2517 174.8774 72 Y 4.5824 9.4700 125.1299 57.1914 40.0950 174.7971 73 T 5.8825 8.3653 117.0895 60.9787 72.6746 173.6335 74 R 4.6926 8.5780 122.6350 54.6362 34.6106 173.4095 75 Y 5.2983 8.6956 124.8980 55.6295 40.4942 175.1489 76 S 4.1774 8.8432 122.9322 57.6571 64.3531 175.7177 77 G 3.4451 8.6473 109.6503 47.1507 0.0000 173.0402 78 Y 4.4058 7.8023 118.3454 55.6088 39.3526 173.2629 79 P 4.3364 0.0000 0.0000 64.1445 31.7008 176.8294 80 G 3.9795 8.8820 111.9836 47.0866 0.0000 173.6375 81 G 4.4322 7.9745 103.6348 44.9558 0.0000 173.8406 82 L 5.0113 8.1246 123.3522 53.8848 42.7499 175.7834 83 K 4.5860 9.4953 127.2366 55.0518 34.2581 176.1303 84 K 4.8080 8.7030 123.1488 54.9055 34.6833 175.4048 85 I 4.7395 8.6842 126.5025 58.7826 40.6159 173.5544 86 P 5.2926 0.0000 0.0000 61.4943 33.8761 176.2802 87 L 4.0723 8.5911 121.0833 58.4163 41.5634 179.5679 88 E 3.9468 8.3585 117.6318 59.7291 29.3519 179.5217 89 K 3.8681 7.9139 117.2957 59.9025 31.9933 178.9758 90 M 4.2471 7.9316 117.9850 57.9191 31.9909 178.4614 91 L 4.1114 7.9546 117.2475 57.7897 41.9239 179.3346 92 A 4.2679 8.2990 119.6078 53.6858 18.4232 177.6170 93 T 4.0856 7.9761 112.0497 62.7668 70.9650 172.7593 94 H 4.3578 9.0836 126.2771 57.1300 25.1807 174.7890 95 P 4.3223 0.0000 0.0000 65.9382 31.3150 177.3883 96 E 4.0595 8.2250 116.3710 58.2284 29.2209 178.8905 97 R 4.1025 7.7806 120.5406 59.3032 29.7630 177.8920 98 V 3.3719 7.5575 118.2311 66.2715 31.4388 177.8505 99 L 4.0889 7.8404 119.1078 57.9196 42.0793 178.2765 100 E 4.0663 7.9701 118.6788 59.9592 29.5751 178.8690 101 H 4.1896 8.9585 118.1182 59.1668 29.6135 177.1948 102 A 4.1088 7.6392 120.7656 55.0602 18.5416 179.5308 103 V 3.7024 7.9797 116.8380 65.8527 31.6408 177.9543 104 K 3.9608 8.8132 119.9772 59.7279 31.7864 178.9583 105 G 3.7285 7.7349 103.3545 47.1687 0.0000 174.3378 106 M 4.4969 7.7202 119.4663 54.1777 32.5528 175.5171 107 L 4.8424 7.0019 118.7848 51.7667 44.9149 174.7104 108 P 4.2908 0.0000 0.0000 63.5170 31.6965 177.1028 109 K 4.4270 8.5926 119.7401 56.7934 32.8525 178.3573 110 G 4.0506 7.5099 107.7459 43.7219 0.0000 172.2969 111 P 4.3218 0.0000 0.0000 65.3287 31.3655 178.3949 112 L 4.0730 7.9132 119.1835 58.0626 42.0052 179.0544 113 G 4.1970 7.9505 106.5842 47.4885 0.0000 175.7587 114 R 3.9787 7.7920 119.3810 58.8152 30.1093 178.7376 115 R 4.1047 7.8766 118.5304 59.1249 29.6336 178.3706 116 L 3.9406 8.1717 118.6416 57.1388 41.5727 179.0406 117 F 4.1937 8.0273 121.1283 60.9098 39.0543 177.3531 118 K 3.9596 7.5555 117.5620 59.1148 32.0006 178.9275 119 R 3.6037 7.3423 116.6865 56.4505 29.8572 175.5342 120 L 4.4090 6.7293 121.9022 53.8291 43.3945 176.3171 121 K 4.2896 9.0800 125.2274 54.7248 35.0147 174.7856 122 V 4.7693 7.8947 124.6121 61.3082 33.3905 174.4883 123 Y 4.7522 8.7527 123.6953 55.3342 42.0786 175.9090 124 A 4.5552 8.4430 126.7128 51.3080 17.8035 178.3862 125 G 4.0371 7.7298 111.1220 44.1885 0.0000 169.4297 126 P 4.3812 0.0000 0.0000 63.4260 31.7944 174.1068 127 D 4.9170 9.9506 118.2941 55.1240 39.9467 173.7437 128 H 4.2519 7.7688 116.1249 53.6776 31.1233 171.3517 129 P 4.3676 0.0000 0.0000 63.3838 31.2436 176.2936 130 H 4.6012 8.0157 118.0747 55.0461 27.8739 174.0854 131 Q 4.3816 8.1074 123.5302 55.7934 28.5620 177.8373 132 A 3.6663 6.8567 121.8701 53.0957 18.8064 180.0916 133 Q 4.4091 6.2605 115.1533 58.5217 33.3300 173.1227 134 R 5.3605 8.3286 114.2106 56.0382 29.8304 173.2360 135 P 4.3361 0.0000 0.0000 63.4205 32.5615 176.9723 136 E 4.9714 8.6873 125.9499 55.9018 30.0921 175.9750 137 K 4.6192 8.6656 124.9116 54.6842 35.8401 176.7887 138 L 4.2828 8.3361 125.1259 53.8483 40.3694 177.5505 *139 E 4.1515 8.0787 117.3748 55.8938 30.3597 176.4244 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 1 M 8.30 4.42 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 2 K 7.59 4.17 0.00 1.48 1.25 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.42 7.81 3 T 7.15 3.88 4.13 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 0.00 0.00 1.18 0.00 0.00 4 Y 5.42 4.30 0.00 3.03 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 5 V 7.42 4.08 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 0.82 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.36 0.00 2.22 2.12 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 7 K 8.35 4.23 0.00 1.78 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 8 Q 8.60 3.88 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 9 V 8.26 3.78 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 0.81 0.00 0.00 1.01 0.00 0.00 10 E 8.19 4.48 0.00 1.94 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 2.21 2.37 0.00 11 P 0.00 4.22 0.00 2.39 2.46 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 12 R 8.80 4.61 0.00 2.01 2.12 0.00 3.21 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 13 W 9.01 5.12 0.00 3.16 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 14 V 8.88 4.68 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 0.95 0.00 0.00 1.01 0.00 0.00 15 L 8.13 5.25 0.00 1.85 1.60 0.96 0.74 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 16 I 8.40 4.62 1.88 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 1.12 1.01 0.99 0.00 0.00 17 D 8.22 5.03 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.66 4.38 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 19 E 8.30 3.97 0.00 2.21 2.57 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 0.00 2.32 2.32 0.00 20 G 7.95 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 21 K 8.51 4.42 0.00 1.82 1.78 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 22 T 8.38 4.43 4.24 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 0.00 0.00 0.00 1.22 0.00 0.00 23 L 8.34 3.69 0.00 1.68 1.75 0.97 1.09 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 24 G 9.23 4.38 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 0.00 25 R 7.64 3.93 0.00 1.90 2.01 0.00 3.20 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 26 L 7.64 4.19 0.00 1.74 1.65 0.91 0.98 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 27 A 8.07 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 28 T 8.43 3.80 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 29 K 7.97 3.94 0.00 1.91 1.82 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.65 7.81 30 I 7.86 3.72 1.95 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 1.42 1.24 0.85 0.00 0.00 31 A 7.74 3.93 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 32 T 7.69 3.68 4.14 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 1.08 0.00 0.00 33 L 7.88 3.85 0.00 1.94 1.54 0.63 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.61 3.85 0.00 1.92 1.64 0.80 0.67 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 35 R 7.52 4.60 0.00 1.52 1.83 0.00 3.14 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 36 G 8.82 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.78 3.59 0.00 1.70 1.66 0.00 0.61 0.00 0.00 0.82 0.00 0.00 2.41 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.03 0.92 7.81 38 H 8.32 4.62 0.00 3.28 3.32 0.00 5.57 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 39 R 7.48 4.36 0.00 1.92 2.07 0.00 3.12 0.00 0.00 3.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.00 40 P 0.00 4.51 0.00 2.18 2.19 0.00 3.72 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 2.00 1.96 0.00 41 D 7.67 4.95 0.00 2.79 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 42 W 7.64 4.60 0.00 3.35 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 43 T 7.69 3.87 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 1.05 0.00 0.00 44 P 0.00 3.31 0.00 2.03 2.00 0.00 3.16 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 45 N 7.69 4.80 0.00 2.76 2.82 0.00 0.00 5.86 7.68 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 46 V 7.47 4.00 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 0.69 0.00 0.00 0.91 0.00 0.00 47 A 8.30 3.67 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 48 M 7.79 4.89 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 49 G 7.88 4.65 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 0.00 0.00 0.00 50 D 8.45 4.95 0.00 2.54 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 51 F 8.84 3.97 0.00 1.51 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 52 V 7.88 4.42 1.96 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 0.95 0.00 0.00 0.84 0.00 0.00 53 V 9.16 4.69 2.28 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 0.99 0.00 0.00 1.17 0.00 0.00 54 V 9.15 5.48 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 0.92 0.00 0.00 55 V 8.49 4.61 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 0.85 0.00 0.00 1.06 0.00 0.00 56 N 8.70 4.24 0.00 3.04 3.03 0.00 0.00 6.86 7.35 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 57 A 8.62 4.31 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 58 D 9.47 3.96 0.00 2.93 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 59 K 8.94 4.00 0.00 2.00 1.95 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.37 7.81 60 I 8.58 4.80 1.89 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 1.33 0.96 0.97 0.00 0.00 61 R 9.07 4.56 0.00 1.83 1.89 0.00 3.28 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 62 V 7.89 4.81 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 0.69 0.00 0.00 0.95 0.00 0.00 63 T 8.81 4.15 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 64 G 8.22 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 65 K 8.18 4.50 0.00 1.82 1.81 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.45 7.81 66 K 7.70 3.96 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 67 L 7.57 4.32 0.00 1.65 1.76 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.10 4.40 0.00 2.14 2.21 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 2.45 2.40 0.00 69 Q 7.34 4.38 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 70 K 8.48 4.02 0.00 1.71 1.74 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.19 7.81 71 I 8.16 4.93 1.82 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 1.51 1.00 0.98 0.00 0.00 72 Y 9.47 4.58 0.00 3.02 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 73 T 8.37 5.88 4.29 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 1.29 0.00 0.00 74 R 8.58 4.69 0.00 1.74 1.79 0.00 3.07 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 75 Y 8.70 5.30 0.00 2.91 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 76 S 8.84 4.18 0.00 3.88 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 77 G 8.65 3.45 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 0.00 78 Y 7.80 4.41 0.00 3.01 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 79 P 0.00 4.34 0.00 2.12 2.07 0.00 3.99 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 80 G 8.88 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 0.00 0.00 0.00 81 G 7.97 4.43 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 0.00 82 L 8.12 5.01 0.00 1.75 1.67 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.50 4.59 0.00 1.85 1.73 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.56 7.81 84 K 8.70 4.81 0.00 1.61 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.45 7.81 85 I 8.68 4.74 1.95 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 1.32 1.09 0.95 0.00 0.00 86 P 0.00 5.29 0.00 2.14 2.18 0.00 3.78 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 2.03 2.00 0.00 87 L 8.59 4.07 0.00 1.96 1.86 1.00 0.92 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 88 E 8.36 3.95 0.00 2.02 2.05 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 2.44 2.51 0.00 89 K 7.91 3.87 0.00 1.95 1.88 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.66 7.81 90 M 7.93 4.25 0.00 1.80 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.34 0.00 91 L 7.95 4.11 0.00 1.74 1.74 0.95 1.15 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 92 A 8.30 4.27 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 93 T 7.98 4.09 4.16 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 1.23 0.00 0.00 94 H 9.08 4.36 0.00 3.38 3.35 0.00 5.96 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.32 0.00 2.27 2.50 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 96 E 8.22 4.06 0.00 2.10 2.23 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 2.33 2.26 0.00 97 R 7.78 4.10 0.00 1.98 1.89 0.00 3.01 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 98 V 7.56 3.37 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 0.89 0.00 0.00 99 L 7.84 4.09 0.00 1.74 1.64 0.92 0.98 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 E 7.97 4.07 0.00 2.30 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 2.30 2.46 0.00 101 H 8.96 4.19 0.00 3.21 3.50 0.00 5.58 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 0.00 102 A 7.64 4.11 1.44 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 0.00 0.00 103 V 7.98 3.70 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 1.11 0.00 0.00 0.95 0.00 0.00 104 K 8.81 3.96 0.00 1.72 1.62 0.00 0.65 0.00 0.00 1.26 0.00 0.00 2.60 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.10 0.70 7.81 105 G 7.73 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 0.00 106 M 7.72 4.50 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 107 L 7.00 4.84 0.00 1.74 1.56 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.29 0.00 2.20 2.03 0.00 3.61 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 2.19 2.17 0.00 109 K 8.59 4.43 0.00 1.71 1.82 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.45 7.81 110 G 7.51 4.05 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 0.00 111 P 0.00 4.32 0.00 2.17 2.11 0.00 3.60 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 2.11 2.13 0.00 112 L 7.91 4.07 0.00 1.75 1.67 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.95 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 0.00 0.00 0.00 0.00 114 R 7.79 3.98 0.00 2.07 2.02 0.00 3.16 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 115 R 7.88 4.10 0.00 2.03 2.12 0.00 3.09 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 116 L 8.17 3.94 0.00 1.89 1.66 0.97 0.78 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 0.00 117 F 8.03 4.19 0.00 3.05 3.22 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 0.00 118 K 7.56 3.96 0.00 1.92 1.86 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.70 7.81 119 R 7.34 3.60 0.00 1.54 1.08 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.26 0.00 120 L 6.73 4.41 0.00 1.35 1.15 0.70 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.08 4.29 0.00 1.75 1.88 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 122 V 7.89 4.77 1.92 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 0.80 0.00 0.00 0.85 0.00 0.00 123 Y 8.75 4.75 0.00 3.06 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 0.00 124 A 8.44 4.56 1.30 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 0.00 0.00 125 G 7.73 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 0.00 0.00 0.00 126 P 0.00 4.38 0.00 2.20 2.28 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 127 D 9.95 4.92 0.00 2.81 2.75 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 0.00 128 H 7.77 4.25 0.00 2.92 3.09 0.00 5.52 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.37 0.00 2.04 2.02 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 130 H 8.02 4.60 0.00 3.34 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.11 4.38 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 132 A 6.86 3.67 0.20 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 0.00 133 Q 6.26 4.41 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.66 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 134 R 8.33 5.36 0.00 2.04 2.03 0.00 3.22 0.00 0.00 3.41 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 135 P 0.00 4.34 0.00 2.15 2.13 0.00 4.11 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 136 E 8.69 4.97 0.00 2.01 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 2.31 2.33 0.00 137 K 8.67 4.62 0.00 1.64 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.64 7.81 138 L 8.34 4.28 0.00 1.62 1.62 0.92 0.86 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 *139 E 8.08 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.