NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4200 8.1633 120.3490 55.0858 34.5102 176.6644 2 N 4.2268 8.1483 120.5941 55.1358 39.9751 173.8966 3 R 4.6731 8.0162 117.2734 53.2466 31.6531 175.7407 4 G 4.1019 8.1528 106.9684 48.4941 0.0000 172.5417 5 A 4.0717 8.0462 122.5736 54.2150 18.5823 178.8148 6 L 3.6987 7.9116 116.9161 59.1301 42.2210 178.9267 7 I 3.6979 8.4721 119.8247 63.3701 36.6734 177.8333 8 K 4.4996 7.8946 123.3959 59.4263 32.5665 178.5240 9 L 4.0877 8.7283 119.7940 58.2335 41.3769 179.1748 10 V 3.4537 8.2457 116.6554 66.8261 31.6611 177.7637 11 E 4.2323 8.2332 117.6628 58.4292 29.6628 177.1297 12 S 4.6608 7.8127 115.3211 57.1849 62.8346 173.2382 13 R 4.3659 7.7159 127.9584 56.5546 30.5266 175.2894 14 Y 4.4604 7.5273 110.7493 57.1767 38.2319 176.3574 15 V 4.1162 7.1666 114.1770 61.8434 32.6829 175.2049 16 R 4.3571 8.0254 115.7436 56.1004 33.5496 174.5364 17 T 4.4490 8.0859 117.4720 61.1627 68.1465 171.6011 18 D 4.5159 8.1037 133.5789 53.8095 42.3271 177.1403 19 L 4.1445 7.9579 119.2868 53.4383 42.2477 174.9327 20 P 4.2805 0.0000 0.0000 62.9989 31.7940 175.7794 21 E 4.3653 8.6199 120.9008 54.6861 29.4109 174.8659 22 F 5.0050 7.7565 120.7431 55.0086 40.8396 175.3341 23 R 4.1297 8.7954 114.2875 57.1464 31.7306 174.9658 24 P 5.0839 0.0000 0.0000 64.7024 29.4101 175.0220 25 G 3.8396 7.8219 107.5875 45.0104 0.0000 174.2967 26 D 4.6408 8.4091 113.7364 54.1766 44.2468 174.6742 27 T 4.7223 7.5137 121.7087 62.3295 69.0610 173.3826 28 V 5.1900 6.6598 130.6183 63.5354 35.2070 171.0080 29 R 4.2411 8.6875 125.3789 56.5551 32.4579 172.9442 30 V 3.1596 7.3592 114.5936 58.1373 35.1726 175.0626 31 S 4.6352 8.0023 115.2045 58.0834 63.7655 172.1160 32 Y 4.5309 8.2789 113.3776 56.3295 39.9011 172.1259 33 K 3.5371 7.7265 129.0570 54.7943 31.8029 175.2702 34 V 4.3340 8.2136 123.3559 60.8261 33.6777 174.8307 35 K 4.0199 8.7884 125.2470 59.1108 37.3573 174.5141 36 E 3.6637 10.2556 121.6604 57.3101 28.2088 176.1845 37 G 4.0746 8.4301 105.6574 44.7909 0.0000 173.4700 38 N 5.0123 8.1921 117.5094 51.0704 39.2825 175.3661 39 R 4.1209 8.6491 118.7700 56.9400 30.0476 176.1357 40 T 4.3652 8.1345 108.6102 59.7110 71.0285 171.9604 41 R 3.9437 8.2795 118.8589 55.3217 30.5856 173.8119 42 I 4.3526 8.1899 121.6234 61.6041 38.4083 175.4223 43 Q 3.6472 7.8682 120.4103 56.6140 29.2276 176.5351 44 D 4.8338 8.4319 125.2761 53.5902 43.1462 176.5329 45 F 4.3814 8.4396 120.1753 56.5749 40.8288 171.2428 46 E 4.0808 8.3942 123.5714 56.5997 30.0186 175.2066 47 G 4.2436 8.3896 112.9871 46.1046 0.0000 170.9817 48 I 4.7694 8.0809 120.2131 59.3942 40.5067 176.2958 49 V 4.5780 8.2504 124.8052 60.8863 31.9159 176.5157 50 I 3.8064 8.6927 128.7883 64.2381 38.2655 176.4065 51 R 4.7125 7.4350 118.4966 55.4209 34.0923 173.9729 52 I 5.0050 8.4982 125.1527 59.7406 40.0805 174.9831 53 R 4.5027 8.7088 129.2369 54.4855 31.4044 175.7838 54 R 4.4281 8.5467 125.8158 56.4878 30.9284 176.5432 55 N 4.4443 8.7172 116.5870 53.0635 38.9497 174.5539 56 G 3.9192 8.1075 107.7538 44.0841 0.0000 175.0607 57 F 4.9459 7.5539 118.2027 55.2530 42.7079 174.8870 58 N 3.4323 6.4947 115.4415 53.2144 36.4575 174.1329 59 T 3.8089 8.1043 114.3239 62.7300 67.7592 173.6529 60 T 5.5536 8.2051 118.8726 60.1933 71.9456 173.0508 61 F 5.5674 8.5172 114.4482 56.2990 41.2021 173.1305 62 T 5.2645 9.0589 110.1112 58.9950 72.2210 173.1123 63 V 5.5502 7.5602 114.5277 58.7108 36.1730 174.4676 64 R 5.1716 8.4381 123.2321 54.6720 32.9033 173.7210 65 K 4.5220 9.3458 127.0243 54.6844 36.5920 175.4955 66 V 4.1496 8.1967 123.5286 61.3838 30.5666 175.4857 67 S 4.1602 8.1677 122.8841 57.4770 62.1190 175.5435 68 Y 3.9745 8.5439 128.7225 58.8438 35.1324 170.8603 69 G 3.7464 9.5472 114.6971 48.7246 0.0000 174.6039 70 V 3.6735 7.7057 121.8462 62.0506 31.9916 175.0356 71 G 4.1444 8.5069 114.9316 46.0738 0.0000 172.8495 72 V 4.8627 9.6962 123.8020 60.7922 35.5455 173.8953 73 E 5.8035 8.6190 122.2824 53.7298 32.6082 174.8398 74 R 4.2039 7.9041 119.9257 54.2297 33.7500 175.0713 75 I 4.3930 7.5651 121.5359 59.7000 39.5152 174.7725 76 F 5.2259 8.1702 127.2613 55.1187 40.2809 175.8298 77 P 4.2937 0.0000 0.0000 63.4771 31.4149 177.3707 78 L 3.9714 8.7174 117.9553 55.6267 40.5031 173.1843 79 H 4.8697 7.7875 112.5308 55.5172 34.4297 171.6595 80 S 4.1291 9.2851 120.4820 57.7316 59.5875 169.6859 81 P 4.2473 0.0000 0.0000 62.3188 29.8457 175.3868 82 L 4.4661 7.9301 120.3472 56.3759 44.3592 175.4967 83 I 3.7154 7.1801 115.8041 63.2028 39.3836 175.5082 84 Q 4.3724 7.1592 117.8148 56.5725 30.4478 173.9484 85 K 4.2960 8.3434 112.2144 55.2053 33.4085 175.7321 86 I 3.7790 7.6298 117.7568 61.7523 38.7901 173.8824 87 D 5.1311 8.5125 127.5923 52.9391 41.4498 175.0638 88 I 3.8921 8.3188 122.5743 62.3748 36.9735 177.6546 89 V 4.3524 8.9645 125.4706 61.8351 32.5797 174.4989 90 Q 4.4639 8.6340 127.1231 54.7414 30.0018 173.5648 91 R 4.4019 8.7513 126.4451 55.0191 34.7437 178.7215 92 G 4.1996 9.4807 113.4874 46.2131 0.0000 174.0482 93 R 4.0831 8.8398 123.9878 56.5792 30.3674 175.6781 94 A 3.7178 7.7409 119.1178 52.8754 15.0279 177.0642 95 R 4.2590 8.1600 115.7027 57.4174 30.4151 176.7871 96 R 4.7188 7.4945 113.5788 53.9655 34.1020 176.4369 97 A 4.1208 9.0375 123.6747 53.2982 17.1621 180.0658 98 K 4.0437 9.2797 115.9561 55.6072 33.4937 177.6266 99 L 5.0635 8.2269 123.3219 54.5938 40.0105 176.7257 100 Y 4.1826 8.3057 118.6963 59.6804 38.7644 177.5264 101 F 4.4332 8.1515 114.6928 58.2129 37.5323 175.8299 102 I 3.6232 7.1744 115.0030 61.9772 38.1840 176.9522 103 R 3.8218 7.6218 118.3748 58.8403 30.1969 177.4140 104 N 4.2456 8.2383 119.2955 56.2194 39.3286 175.2536 105 L 4.6028 7.2551 119.0090 52.4817 42.2049 175.4631 106 S 4.9005 8.9632 117.0574 55.3240 66.2193 175.8154 107 D 4.8232 7.6032 120.3562 54.4393 40.3413 179.8423 108 R 3.9823 8.0418 112.3126 57.8688 30.3989 178.5493 109 E 3.9994 9.2730 119.5409 59.3462 29.2955 178.9482 110 I 3.6793 7.2563 119.9651 64.3647 37.0362 177.7380 111 R 4.3315 7.5191 112.7718 56.8380 29.6135 177.4308 112 R 4.4119 8.0531 117.1616 57.6120 30.5768 178.0159 113 K 4.3365 7.9714 118.0123 57.3810 33.8876 177.3950 114 L 4.9106 8.0385 120.2561 53.1231 42.0171 176.6939 115 R 4.0499 8.4474 123.1670 56.3062 29.1704 179.2456 116 A 4.3393 8.7255 120.6296 52.1947 22.4901 177.8434 117 D 4.6109 8.0186 123.6396 52.7685 39.9574 176.0994 118 R 4.0442 8.7233 123.6747 59.5823 30.6980 179.7130 119 K 4.3059 7.6787 118.1334 59.1906 32.8426 177.9245 120 R 4.6722 7.9785 117.1169 56.9257 30.2488 178.4769 121 I 3.8302 8.2356 119.4370 64.1515 37.9711 177.5844 122 D 4.4013 8.0255 119.3050 57.4421 40.7693 178.4735 123 Q 4.0059 7.6612 116.3560 58.9676 28.2638 178.2279 124 D 4.5040 7.6923 119.2041 56.3277 41.3293 178.8069 125 R 3.9159 7.8602 116.9138 58.6569 30.3360 177.0407 126 A 4.3516 8.6068 118.8086 52.4116 18.5149 176.7716 127 A 4.6158 7.8485 119.9538 52.5464 19.2790 178.4755 128 E 4.4130 8.1320 115.4051 58.2071 29.8457 178.2281 129 R 4.2059 7.3573 120.5993 57.1061 27.6928 176.1597 130 A 4.7038 7.4932 126.5889 50.4063 19.5204 176.7346 131 A 4.1884 7.7904 124.3733 52.2234 19.7803 178.0454 132 K 4.5621 8.3958 119.5915 56.3712 32.5637 177.4093 133 E 4.3581 8.0966 117.9586 56.4858 28.8534 176.2206 134 E 4.2626 8.4781 118.0374 55.3497 30.9066 176.3846 135 A 3.8103 8.6514 122.8520 52.6760 16.3460 177.8557 136 Q 4.5527 7.6879 114.1197 55.8380 30.9434 175.9941 137 K 4.4465 7.5729 114.6196 56.0493 33.7091 175.5062 *138 A 4.1104 7.7238 125.2738 52.4707 18.7921 176.8675 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 8.16 4.42 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 2 N 8.15 4.23 0.00 2.83 2.89 0.00 0.00 6.64 6.78 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 3 R 8.02 4.67 0.00 1.80 1.86 0.00 3.33 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 4 G 8.15 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 5 A 8.05 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.70 0.00 1.72 1.84 0.92 0.97 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 7 I 8.47 3.70 2.00 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 1.64 1.16 0.94 0.00 0.00 8 K 7.89 4.50 0.00 1.89 2.03 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.42 7.81 9 L 8.73 4.09 0.00 1.88 1.70 0.93 0.80 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 10 V 8.25 3.45 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 0.80 0.00 0.00 0.93 0.00 0.00 11 E 8.23 4.23 0.00 2.37 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 2.37 2.45 0.00 12 S 7.81 4.66 0.00 3.51 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.72 4.37 0.00 1.48 1.45 0.00 3.25 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 14 Y 7.53 4.46 0.00 2.75 2.93 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 15 V 7.17 4.12 2.16 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 0.46 0.00 0.00 0.90 0.00 0.00 16 R 8.03 4.36 0.00 1.77 1.99 0.00 3.32 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 17 T 8.09 4.45 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 1.20 0.00 0.00 18 D 8.10 4.52 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.14 0.00 1.67 1.64 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.28 0.00 2.10 2.06 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 2.03 2.10 0.00 21 E 8.62 4.37 0.00 1.89 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 2.12 2.14 0.00 22 F 7.76 5.01 0.00 3.20 2.98 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 23 R 8.80 4.13 0.00 1.93 1.95 0.00 2.94 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 24 P 0.00 5.08 0.00 2.18 2.50 0.00 3.67 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 25 G 7.82 3.84 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 0.00 0.00 0.00 26 D 8.41 4.64 0.00 2.70 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 27 T 7.51 4.72 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 1.03 0.00 0.00 28 V 6.66 5.19 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 0.91 0.00 0.00 1.15 0.00 0.00 29 R 8.69 4.24 0.00 1.90 1.68 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 30 V 7.36 3.16 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 0.77 0.00 0.00 0.92 0.00 0.00 31 S 8.00 4.64 0.00 4.08 3.94 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 32 Y 8.28 4.53 0.00 3.03 2.82 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 33 K 7.73 3.54 0.00 2.12 1.86 0.00 1.97 0.00 0.00 1.56 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.34 7.81 34 V 8.21 4.33 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 0.87 0.00 0.00 0.96 0.00 0.00 35 K 8.79 4.02 0.00 1.99 1.93 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.14 7.81 36 E 10.26 3.66 0.00 2.06 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 0.00 2.25 2.28 0.00 37 G 8.43 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 0.00 0.00 0.00 38 N 8.19 5.01 0.00 2.82 2.91 0.00 0.00 6.82 7.36 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 39 R 8.65 4.12 0.00 1.85 2.03 0.00 3.20 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 40 T 8.13 4.37 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 1.23 0.00 0.00 41 R 8.28 3.94 0.00 1.88 2.18 0.00 3.40 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.00 42 I 8.19 4.35 1.90 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 1.32 0.77 0.93 0.00 0.00 43 Q 7.87 3.65 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.63 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 44 D 8.43 4.83 0.00 2.59 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.38 0.00 3.30 3.06 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 0.00 0.00 0.00 46 E 8.39 4.08 0.00 1.92 1.71 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 2.23 2.33 0.00 47 G 8.39 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 0.00 0.00 0.00 0.00 48 I 8.08 4.77 1.89 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 0.80 1.02 0.00 0.00 49 V 8.25 4.58 2.38 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 0.94 0.00 0.00 1.28 0.00 0.00 50 I 8.69 3.81 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.61 0.00 0.00 51 R 7.44 4.71 0.00 1.51 1.33 0.00 2.86 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 52 I 8.50 5.00 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.85 0.00 0.00 53 R 8.71 4.50 0.00 1.90 1.84 0.00 3.28 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 54 R 8.55 4.43 0.00 1.84 1.84 0.00 3.27 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 55 N 8.72 4.44 0.00 2.60 2.70 0.00 0.00 7.07 7.98 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 56 G 8.11 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 57 F 7.55 4.95 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.49 3.43 0.00 2.62 2.10 0.00 0.00 5.93 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 59 T 8.10 3.81 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 1.32 0.00 0.00 60 T 8.21 5.55 4.39 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 1.28 0.00 0.00 61 F 8.52 5.57 0.00 3.47 3.16 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 0.00 62 T 9.06 5.26 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 1.08 0.00 0.00 63 V 7.56 5.55 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 0.90 0.00 0.00 0.37 0.00 0.00 64 R 8.44 5.17 0.00 1.81 1.72 0.00 3.38 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 65 K 9.35 4.52 0.00 1.91 1.32 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.26 7.81 66 V 8.20 4.15 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 0.93 0.00 0.00 0.92 0.00 0.00 67 S 8.17 4.16 0.00 3.65 3.62 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 68 Y 8.54 3.97 0.00 3.16 2.37 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 69 G 9.55 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 70 V 7.71 3.67 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 0.96 0.00 0.00 0.95 0.00 0.00 71 G 8.51 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 0.00 0.00 0.00 0.00 72 V 9.70 4.86 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 1.18 0.00 0.00 0.93 0.00 0.00 73 E 8.62 5.80 0.00 1.84 1.82 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 2.13 2.09 0.00 74 R 7.90 4.20 0.00 0.67 0.66 0.00 2.73 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 75 I 7.57 4.39 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.39 0.83 0.00 0.00 76 F 8.17 5.23 0.00 2.15 2.96 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 77 P 0.00 4.29 0.00 2.22 2.07 0.00 3.88 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 78 L 8.72 3.97 0.00 2.11 1.94 0.88 0.88 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 79 H 7.79 4.87 0.00 3.30 3.38 0.00 5.93 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.29 4.13 0.00 4.02 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 81 P 0.00 4.25 0.00 0.56 1.57 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 82 L 7.93 4.47 0.00 1.42 1.60 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.18 3.72 1.86 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 1.46 0.49 0.91 0.00 0.00 84 Q 7.16 4.37 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.67 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 85 K 8.34 4.30 0.00 1.61 1.69 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.02 1.23 7.81 86 I 7.63 3.78 1.86 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 1.40 1.17 0.95 0.00 0.00 87 D 8.51 5.13 0.00 2.70 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 88 I 8.32 3.89 2.00 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 1.12 0.59 0.92 0.00 0.00 89 V 8.96 4.35 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 0.82 0.00 0.00 0.94 0.00 0.00 90 Q 8.63 4.46 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.25 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 91 R 8.75 4.40 0.00 1.85 1.70 0.00 3.27 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 92 G 9.48 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 93 R 8.84 4.08 0.00 1.93 2.11 0.00 3.43 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 94 A 7.74 3.72 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 95 R 8.16 4.26 0.00 1.75 1.95 0.00 3.34 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 1.63 1.54 0.00 96 R 7.49 4.72 0.00 1.78 1.78 0.00 2.65 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 97 A 9.04 4.12 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 98 K 9.28 4.04 0.00 1.93 1.98 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.69 1.44 7.81 99 L 8.23 5.06 0.00 2.38 1.96 1.04 0.80 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 0.00 100 Y 8.31 4.18 0.00 3.05 3.07 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 0.00 101 F 8.15 4.43 0.00 3.07 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 0.00 102 I 7.17 3.62 1.63 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.19 0.00 0.00 103 R 7.62 3.82 0.00 1.83 1.88 0.00 3.27 0.00 0.00 3.27 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 104 N 8.24 4.25 0.00 2.73 2.92 0.00 0.00 6.65 7.85 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 0.00 105 L 7.26 4.60 0.00 1.42 1.58 0.95 0.84 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 0.00 106 S 8.96 4.90 0.00 3.91 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 0.00 107 D 7.60 4.82 0.00 2.95 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 0.00 108 R 8.04 3.98 0.00 2.01 2.22 0.00 2.98 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 109 E 9.27 4.00 0.00 2.18 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 2.35 2.55 0.00 110 I 7.26 3.68 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.88 0.00 0.00 111 R 7.52 4.33 0.00 1.99 2.04 0.00 3.05 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 112 R 8.05 4.41 0.00 1.96 2.10 0.00 3.15 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.01 0.00 113 K 7.97 4.34 0.00 2.02 2.17 0.00 1.74 0.00 0.00 2.13 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.87 7.81 114 L 8.04 4.91 0.00 1.66 1.66 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.45 4.05 0.00 1.82 1.61 0.00 3.42 0.00 0.00 3.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 116 A 8.73 4.34 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 0.00 117 D 8.02 4.61 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 4.04 0.00 1.92 1.99 0.00 3.22 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 119 K 7.68 4.31 0.00 1.77 2.05 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.53 7.81 120 R 7.98 4.67 0.00 1.85 1.98 0.00 3.20 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 121 I 8.24 3.83 2.14 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 1.73 1.63 0.95 0.00 0.00 122 D 8.03 4.40 0.00 2.73 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 0.00 123 Q 7.66 4.01 0.00 2.32 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 124 D 7.69 4.50 0.00 3.01 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 0.00 125 R 7.86 3.92 0.00 1.94 2.00 0.00 3.37 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 126 A 8.61 4.35 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 0.00 127 A 7.85 4.62 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 0.00 128 E 8.13 4.41 0.00 2.07 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 2.27 2.38 0.00 129 R 7.36 4.21 0.00 1.79 1.92 0.00 3.25 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 130 A 7.49 4.70 1.25 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 0.00 0.00 131 A 7.79 4.19 1.25 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 0.00 0.00 132 K 8.40 4.56 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.39 7.81 133 E 8.10 4.36 0.00 1.92 1.93 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 2.29 2.29 0.00 134 E 8.48 4.26 0.00 2.04 1.78 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 2.25 2.29 0.00 135 A 8.65 3.81 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 0.00 136 Q 7.69 4.55 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.22 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 137 K 7.57 4.45 0.00 1.73 1.69 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.43 7.81 *138 A 7.72 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.