NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2510 8.3144 121.7928 56.5925 33.2844 176.1932 4 C 5.5552 8.0359 119.1769 52.4426 43.4550 171.4316 5 S 4.4688 9.1558 120.4029 57.6331 63.9343 173.5439 6 L 4.3461 8.2735 125.5563 57.0117 42.0988 178.0673 7 T 3.9427 7.2277 114.6297 63.9513 69.1574 173.6503 8 G 3.5174 7.5515 112.5013 44.1555 0.0000 171.8144 9 K 5.0527 8.0086 118.8796 54.5715 35.0803 175.6289 10 W 5.7436 9.6007 123.0135 55.8118 34.2337 173.8503 11 T 5.2922 9.5306 115.1557 60.8884 71.1293 172.0780 12 N 6.1707 8.5270 122.9883 49.5871 40.8347 174.7318 13 D 4.5207 8.7053 115.6881 54.6398 39.1268 176.2930 14 L 4.5287 8.8646 121.0714 54.2610 43.1502 175.5757 15 G 3.7161 8.1752 104.1921 47.6441 0.0000 175.6195 16 S 4.6127 7.7643 114.6248 56.1640 66.2350 174.8479 17 N 5.1054 8.5404 122.4345 53.7895 40.1811 173.5085 18 M 4.8732 8.8264 117.7425 55.1333 36.3984 173.4044 19 T 5.2167 8.6027 120.9415 61.8541 72.9399 172.9409 20 I 4.8589 9.0764 125.9856 59.4666 40.9261 176.7920 21 G 4.1656 8.9749 114.7117 45.9947 0.0000 173.0129 22 A 4.3370 8.5358 125.0426 50.3086 17.9516 177.0418 23 V 3.7458 7.6638 121.0211 64.0316 31.7845 176.3187 24 N 4.7150 8.8956 125.9771 52.0613 38.5544 175.4845 25 S 4.0561 8.7797 112.1821 62.1678 62.5491 175.7634 26 R 4.1093 7.8848 116.9748 55.9186 30.0524 177.4419 27 G 4.0151 8.3802 107.6823 45.0568 0.0000 173.4895 28 E 4.8935 9.5747 120.9753 56.1899 31.3012 175.2925 29 F 5.1352 7.8660 114.6971 56.7699 41.8554 172.5366 30 T 4.8154 8.0475 108.7496 60.5573 72.9149 172.6723 31 G 3.9941 7.8755 105.7729 46.6807 0.0000 172.3846 32 T 5.1468 8.2565 109.2691 60.1318 73.0190 172.3317 33 Y 4.9837 9.1128 124.2198 56.1882 41.8167 174.3549 34 T 5.2445 7.8826 121.7950 62.3413 71.7818 173.0087 35 T 4.4629 8.4203 118.5800 60.3527 71.1270 173.5628 36 A 4.2777 7.9449 126.9787 51.7479 18.1920 177.0632 *45 K 4.2825 7.2904 126.6693 56.0862 36.5904 179.8551 46 E 5.6242 8.8137 122.3372 55.1905 29.9274 173.8482 47 S 5.0172 8.5006 120.2535 55.7523 64.6152 171.5922 48 P 4.7299 0.0000 0.0000 62.7954 32.9591 174.7285 49 L 5.0644 8.3637 122.1919 53.7536 45.7794 174.9303 50 H 4.9409 8.8000 121.4747 54.3365 33.4311 172.8989 51 G 3.8231 7.9931 109.4261 45.4517 0.0000 171.0677 52 T 5.2786 9.1195 115.5118 62.0326 73.0150 172.9729 53 E 5.1110 9.0843 127.4307 54.2438 31.5892 174.8535 54 N 4.5590 9.6404 126.8767 54.0432 39.5518 174.5594 55 T 4.5068 8.6396 117.3714 60.1741 69.1605 172.7386 56 I 4.4689 7.7616 125.5737 62.1187 40.4493 176.2674 57 N 4.7001 7.9179 117.5232 54.9591 39.3316 175.4757 58 K 4.0034 8.0258 112.6678 56.3579 29.7273 175.1387 59 R 4.1119 7.9065 118.5260 56.9858 30.7692 177.2296 60 T 4.3703 8.3380 108.1406 62.6413 69.9084 174.0144 61 Q 4.7705 7.4717 120.1468 53.0853 28.5872 173.1317 62 P 4.4655 0.0000 0.0000 62.8568 33.5000 175.1470 63 T 5.0008 8.4124 116.0718 60.6777 70.1247 173.1329 64 F 5.3445 8.6460 122.3402 56.2319 42.4504 172.9404 65 G 5.1767 9.5863 103.9986 46.4556 0.0000 172.5165 66 F 5.5261 8.4630 117.1785 55.8223 41.8972 172.9122 67 T 5.1658 9.1869 115.9405 61.8756 72.1439 173.7509 68 V 4.4044 8.6621 123.8096 61.0621 34.7084 173.7125 69 N 4.8384 7.6555 123.7506 50.6418 38.4552 174.7773 70 W 4.3497 7.8631 124.7387 56.4072 29.3524 177.1355 71 K 4.2758 9.0387 123.0400 57.4528 31.9571 177.5676 72 F 4.8508 7.7845 112.8142 56.3572 38.5584 174.7780 73 S 4.4890 7.0564 114.2728 58.4326 64.8982 174.1724 74 E 4.4780 8.5086 118.0900 57.1308 29.5805 176.4547 75 S 5.1113 7.8418 113.4783 57.4106 66.7531 173.7663 76 T 5.0344 8.5648 116.2782 62.5035 73.0654 173.4342 77 T 5.3168 8.9066 120.2100 62.0237 72.9812 173.3700 78 V 4.9861 8.8172 118.0421 59.6288 35.6158 174.6507 79 F 5.3583 9.1339 122.5193 56.0546 42.5172 174.4644 80 T 4.9003 8.8460 117.6715 61.5560 73.1333 173.3135 81 G 3.7744 6.7048 108.9646 46.5163 0.0000 171.2086 82 Q 4.9165 7.8135 119.1337 54.2649 33.0102 172.8905 83 C 5.0711 8.5608 124.4951 55.7228 45.8182 172.8351 84 F 5.3366 9.2812 124.3897 55.8129 42.9167 174.2707 85 I 4.7350 9.3945 123.8114 59.7629 37.7178 175.5404 86 D 4.6018 9.8963 128.7645 53.7338 41.7091 177.3341 87 R 3.9981 8.4763 118.4056 58.2776 29.5144 176.9583 88 N 4.6725 8.2354 114.9933 52.4602 37.4865 175.9914 89 G 3.9923 8.3281 107.9586 45.5232 0.0000 174.2684 90 K 4.4836 7.9393 118.9303 55.7653 34.0929 175.8779 91 E 4.9184 8.7072 121.6863 56.0983 31.3961 175.8435 92 V 5.0532 9.0939 123.0379 61.6113 35.6920 173.4763 93 L 5.0711 8.6452 128.1863 53.3941 43.4576 175.5269 94 K 4.9567 8.8166 124.8754 55.5655 33.7533 176.4130 95 T 5.3579 8.8620 113.7966 60.5644 73.3194 172.4454 96 M 5.0644 8.9878 120.2594 53.3652 36.6627 174.6132 97 W 5.8445 8.0345 118.5935 53.5000 32.7104 173.8518 98 L 5.3150 8.4571 119.0796 52.9727 44.7929 175.2969 99 L 5.0646 9.4370 127.2486 53.4651 44.0288 174.8028 100 R 4.9552 9.2329 128.1969 55.2904 31.7382 175.5392 101 S 4.9651 8.3735 121.7333 57.0918 65.5166 173.6289 102 S 4.5697 8.4297 117.8216 57.8279 63.6552 174.5262 103 V 4.3278 8.2904 117.4831 59.9252 34.3727 175.1460 104 N 4.6439 8.6603 116.5216 54.8148 39.5342 175.2761 105 D 4.9600 7.5797 116.7426 51.8573 43.4928 176.3289 106 I 3.6154 8.5653 125.5177 63.0501 38.0440 176.5020 107 G 3.9040 8.8701 107.8174 47.4126 0.0000 174.2176 108 D 4.8274 8.7999 119.8507 53.8100 41.8492 177.3975 109 D 4.3127 8.4113 120.8071 57.1178 41.1677 178.4015 110 W 4.4787 8.3428 114.3791 59.0625 27.7885 176.5522 111 K 4.0728 6.5955 115.4096 56.1240 32.2497 177.0377 112 A 4.1006 8.1668 125.7703 54.5603 19.0496 178.0378 113 T 4.9929 7.6887 112.3835 62.5085 69.8303 174.8720 114 R 4.9470 8.9239 125.2225 54.3737 33.6266 175.3812 115 V 4.6154 8.1420 120.1751 60.1696 34.4915 174.6704 116 G 2.9296 6.7064 109.4325 44.8276 0.0000 170.6807 117 I 4.8511 7.2559 118.9799 59.1324 41.6650 174.3617 118 N 4.4050 8.3645 118.1677 53.1265 43.3669 172.9181 119 I 5.0431 8.5774 127.8075 59.8416 39.4062 175.0813 120 F 5.6341 9.2068 125.3679 56.3439 42.6346 174.3143 121 T 5.1223 9.2737 109.3402 60.6049 72.7014 173.0497 122 R 3.9090 8.4956 121.8285 55.6140 30.6366 176.6252 123 L 4.1804 7.9804 125.2763 55.2858 41.7080 176.4808 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 K 8.31 4.25 0.00 1.75 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 4 C 8.04 5.56 0.00 3.00 3.05 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 5 S 9.16 4.47 0.00 3.87 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 6 L 8.27 4.35 0.00 1.31 1.17 0.63 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.23 3.94 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 1.24 0.00 0.00 8 G 7.55 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 5.05 0.00 1.53 1.61 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.32 7.81 10 W 9.60 5.74 0.00 3.04 3.27 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 11 T 9.53 5.29 4.34 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 1.32 0.00 0.00 12 N 8.53 6.17 0.00 2.43 1.64 0.00 0.00 6.64 7.95 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 13 D 8.71 4.52 0.00 2.82 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 14 L 8.86 4.53 0.00 1.57 1.90 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.18 3.72 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 0.00 0.00 0.00 16 S 7.76 4.61 0.00 3.93 3.79 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 17 N 8.54 5.11 0.00 2.62 2.75 0.00 0.00 6.47 7.66 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 18 M 8.83 4.87 0.00 1.84 1.54 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 19 T 8.60 5.22 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 1.19 0.00 0.00 20 I 9.08 4.86 1.92 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.69 0.50 0.00 0.00 21 G 8.97 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 22 A 8.54 4.34 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 23 V 7.66 3.75 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 0.91 0.00 0.00 0.83 0.00 0.00 24 N 8.90 4.71 0.00 2.93 3.00 0.00 0.00 6.28 7.10 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 25 S 8.78 4.06 0.00 4.01 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 26 R 7.88 4.11 0.00 1.91 2.07 0.00 3.21 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 27 G 8.38 4.02 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 0.00 0.00 0.00 28 E 9.57 4.89 0.00 1.89 1.81 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 2.28 2.25 0.00 29 F 7.87 5.14 0.00 3.05 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 30 T 8.05 4.82 4.11 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 0.00 0.00 0.00 0.74 0.00 0.00 31 G 7.88 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 32 T 8.26 5.15 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 1.19 0.00 0.00 33 Y 9.11 4.98 0.00 2.84 2.86 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 34 T 7.88 5.24 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 1.28 0.00 0.00 35 T 8.42 4.46 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 1.43 0.00 0.00 36 A 7.94 4.28 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 *45 K 7.29 4.28 0.00 1.79 1.54 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.14 7.81 46 E 8.81 5.62 0.00 1.96 1.85 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 0.00 2.23 2.14 0.00 47 S 8.50 5.02 0.00 3.84 3.79 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 48 P 0.00 4.73 0.00 2.10 2.16 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.94 0.00 49 L 8.36 5.06 0.00 1.52 1.44 0.36 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.80 4.94 0.00 2.90 2.99 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.99 3.82 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 0.00 52 T 9.12 5.28 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 1.27 0.00 0.00 53 E 9.08 5.11 0.00 2.10 1.97 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 2.32 2.32 0.00 54 N 9.64 4.56 0.00 2.85 2.80 0.00 0.00 7.01 8.37 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 55 T 8.64 4.51 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 1.33 0.00 0.00 56 I 7.76 4.47 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 1.32 0.95 0.92 0.00 0.00 57 N 7.92 4.70 0.00 2.66 2.79 0.00 0.00 7.20 6.68 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 58 K 8.03 4.00 0.00 1.87 2.00 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 59 R 7.91 4.11 0.00 1.80 1.88 0.00 3.19 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 60 T 8.34 4.37 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 1.23 0.00 0.00 61 Q 7.47 4.77 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 62 P 0.00 4.47 0.00 2.13 2.01 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 63 T 8.41 5.00 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 1.19 0.00 0.00 64 F 8.65 5.34 0.00 3.42 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 65 G 9.59 5.18 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 0.00 0.00 0.00 66 F 8.46 5.53 0.00 3.11 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 67 T 9.19 5.17 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 1.18 0.00 0.00 68 V 8.66 4.40 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 -0.25 0.00 0.00 0.68 0.00 0.00 69 N 7.66 4.84 0.00 2.61 2.68 0.00 0.00 7.09 8.76 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 70 W 7.86 4.35 0.00 2.63 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 0.00 0.00 0.00 0.00 71 K 9.04 4.28 0.00 1.93 2.01 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.47 7.81 72 F 7.78 4.85 0.00 3.20 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 73 S 7.06 4.49 0.00 3.83 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 74 E 8.51 4.48 0.00 1.96 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 2.26 2.31 0.00 75 S 7.84 5.11 0.00 3.63 3.79 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 76 T 8.56 5.03 4.28 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 1.25 0.00 0.00 77 T 8.91 5.32 4.62 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 0.97 0.00 0.00 78 V 8.82 4.99 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 0.85 0.00 0.00 0.99 0.00 0.00 79 F 9.13 5.36 0.00 1.88 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 80 T 8.85 4.90 4.11 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 0.00 0.00 0.00 1.13 0.00 0.00 81 G 6.70 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.81 4.92 0.00 1.90 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.84 0.00 0.00 0.00 0.00 0.00 1.35 2.18 0.00 83 C 8.56 5.07 0.00 3.07 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 84 F 9.28 5.34 0.00 3.07 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 85 I 9.39 4.74 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.87 1.02 0.00 0.00 86 D 9.90 4.60 0.00 2.73 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 87 R 8.48 4.00 0.00 1.94 2.06 0.00 3.11 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 88 N 8.24 4.67 0.00 2.87 2.96 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.33 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 90 K 7.94 4.48 0.00 1.96 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.46 7.81 91 E 8.71 4.92 0.00 2.15 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 0.00 2.50 2.38 0.00 92 V 9.09 5.05 2.30 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 1.25 0.00 0.00 1.18 0.00 0.00 93 L 8.65 5.07 0.00 1.76 1.77 -0.52 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.82 4.96 0.00 1.92 1.87 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.63 7.81 95 T 8.86 5.36 4.73 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 1.72 0.00 0.00 96 M 8.99 5.06 0.00 1.74 1.81 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 97 W 8.03 5.84 0.00 2.77 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 0.00 0.00 0.00 98 L 8.46 5.31 0.00 1.61 1.62 0.91 0.34 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 99 L 9.44 5.06 0.00 1.69 1.76 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.23 4.96 0.00 1.95 1.80 0.00 3.17 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 101 S 8.37 4.97 0.00 3.75 3.69 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 0.00 102 S 8.43 4.57 0.00 3.73 3.78 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 0.00 103 V 8.29 4.33 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 0.68 0.00 0.00 0.90 0.00 0.00 104 N 8.66 4.64 0.00 2.70 2.85 0.00 0.00 6.60 8.06 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 0.00 105 D 7.58 4.96 0.00 2.73 2.49 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 0.00 106 I 8.57 3.62 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 1.38 0.95 0.94 0.00 0.00 107 G 8.87 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 0.00 0.00 0.00 108 D 8.80 4.83 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.31 0.00 2.77 2.77 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 0.00 0.00 0.00 0.00 110 W 8.34 4.48 0.00 3.59 3.26 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 0.00 111 K 6.60 4.07 0.00 1.24 0.74 0.00 1.08 0.00 0.00 1.27 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.49 7.81 112 A 8.17 4.10 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 0.00 113 T 7.69 4.99 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 1.24 0.00 0.00 114 R 8.92 4.95 0.00 1.93 2.05 0.00 3.11 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 115 V 8.14 4.62 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 0.58 0.00 0.00 0.67 0.00 0.00 116 G 6.71 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 0.00 0.00 0.00 117 I 7.26 4.85 1.74 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 1.36 0.92 0.91 0.00 0.00 118 N 8.36 4.40 0.00 3.32 2.96 0.00 0.00 7.48 8.97 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 0.00 119 I 8.58 5.04 1.99 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 1.30 0.62 1.00 0.00 0.00 120 F 9.21 5.63 0.00 2.92 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 0.00 121 T 9.27 5.12 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 1.38 0.00 0.00 122 R 8.50 3.91 0.00 1.51 1.61 0.00 2.64 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.09 0.00 123 L 7.98 4.18 0.00 1.63 1.46 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.