NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5321 8.1933 115.3056 57.9746 63.4627 174.5242 1 L 3.9645 8.7474 128.5593 57.1066 42.0037 176.6353 2 Y 4.2733 8.5168 118.7820 60.1690 39.6394 175.5610 3 D 4.8883 8.7416 121.5884 51.1914 41.4760 173.4655 4 P 4.5300 0.0000 0.0000 63.8112 31.9769 177.1337 5 A 4.9519 8.1868 120.3651 51.8830 19.4084 178.0118 6 E 4.4055 8.8412 121.5560 59.4072 29.6175 179.6551 7 K 4.1782 8.1604 115.6644 59.4742 32.7546 177.2471 8 Y 4.1143 8.2488 116.2723 59.0631 38.1329 175.3043 9 F 4.9128 8.1243 118.4882 55.6928 41.5995 174.7533 10 N 5.0505 8.6588 118.9489 52.4809 38.0592 174.0396 11 C 4.5042 8.0359 113.8193 57.5432 31.3859 173.5952 12 T 4.2598 8.4205 111.1991 61.3945 70.4223 175.3818 13 D 4.4791 8.6004 121.5228 57.6081 40.9052 178.9033 14 I 3.7895 7.8123 118.7506 64.1495 38.0779 177.8466 15 Q 4.1522 7.9464 118.5243 58.9224 28.4514 178.6559 16 R 3.7395 8.1718 119.6306 59.2100 30.0006 178.4831 17 A 3.9174 8.2158 120.7446 55.0578 18.4638 179.5302 18 F 3.9625 8.3237 116.3378 60.6214 39.0137 177.5452 19 F 4.3197 8.4389 120.1392 61.5794 39.2070 176.9937 20 E 3.7704 8.5261 118.0555 59.3130 29.2487 179.1409 21 A 4.0632 8.1814 120.9308 55.0125 18.2936 179.9579 22 G 3.4741 7.9732 103.8857 47.9561 0.0000 175.6718 23 I 3.5661 7.3066 122.8274 64.1726 37.1194 178.6182 24 K 3.9837 7.9321 118.8717 59.3946 31.8594 179.5523 25 L 4.0948 7.9920 119.3787 57.6877 41.7204 179.6983 26 G 3.6843 8.3415 105.6453 47.7122 0.0000 175.4122 27 A 4.0377 8.5934 123.7419 55.0837 18.4525 179.8235 28 I 3.9271 8.0221 118.3003 64.4654 36.8707 178.5172 29 F 4.0811 8.4016 121.4588 61.7906 39.0968 176.8860 30 H 4.1595 8.0635 113.7619 58.1835 28.6591 177.3249 31 Q 3.8363 8.1756 121.3708 58.7788 29.2329 176.8523 32 Y 4.5147 7.7534 116.7261 58.0472 38.8369 176.1620 33 T 4.0443 6.7049 109.9896 62.9450 69.2143 174.2698 34 G 4.0199 9.1716 113.5447 45.1499 0.0000 174.1534 35 I 4.0511 7.4987 113.8930 60.0381 38.7911 173.9617 36 P 5.1066 0.0000 0.0000 63.1869 32.0644 175.9577 37 V 4.9178 9.3772 116.6036 60.1877 36.2905 174.8994 38 N 4.6890 9.4174 120.0677 52.2978 39.5699 174.8584 39 S 4.1736 8.7286 111.4276 61.7942 63.5018 175.2003 40 E 4.1038 8.3717 120.6480 58.8993 29.3088 177.5920 41 N 4.9056 8.0905 112.2002 52.1333 38.5132 175.7821 42 A 3.9605 8.0415 122.7443 55.9237 18.3739 180.4397 43 S 4.0913 7.9995 113.1519 61.7610 62.8924 176.3860 44 M 3.9952 8.0578 120.3037 58.5790 31.9684 178.0226 45 A 4.0118 8.2255 120.9507 55.1287 18.5093 179.3151 46 E 3.8389 8.2347 117.0791 59.7231 29.5073 179.4437 47 E 4.1705 8.3337 119.9598 58.7955 29.4424 179.3043 48 F 4.0820 8.3927 120.6072 61.3508 39.5006 177.1945 49 I 3.1165 7.7772 119.4722 64.0875 36.6730 178.1477 50 E 3.8270 8.1362 119.4151 59.7225 29.1558 179.8401 51 R 3.9695 7.8679 117.0144 59.0335 30.2236 179.0181 52 S 4.0647 7.8391 114.5725 61.5167 63.0359 176.7326 53 T 3.9959 7.7734 119.3432 66.5533 67.9477 176.4216 54 M 4.1865 7.7665 119.6467 57.3232 32.0152 177.8011 55 I 4.0045 7.1609 111.9110 61.1209 38.2492 176.0657 56 Q 4.2417 7.2726 120.6391 54.2440 29.6525 173.5404 57 P 3.7668 0.0000 0.0000 63.9865 31.7745 176.8932 58 F 4.0796 8.3254 119.3880 57.8230 36.2980 174.1200 59 V 4.3712 7.2614 120.2557 62.0828 31.8962 174.9421 60 E 4.4630 9.1945 128.8191 57.8282 30.9585 175.5440 61 N 5.0448 7.7287 115.7761 52.2597 42.7310 173.4101 62 V 4.9534 8.2423 123.5424 61.2772 34.9657 174.4269 63 R 4.8327 9.1530 126.3562 54.4421 33.2816 174.4253 64 I 4.9915 9.0740 124.8862 59.5336 40.0180 175.2490 65 S 4.8887 9.2030 122.2365 56.7801 66.2415 172.9910 66 I 4.7637 9.5053 126.2492 59.9657 38.1466 175.0112 67 N 4.8171 9.0652 125.1898 51.4179 40.8439 174.6047 68 N 4.1333 8.2828 115.1913 54.5067 35.8612 175.2110 69 V 3.9800 7.3321 109.8443 61.0524 33.1631 176.7522 *76 Y 4.8834 8.1415 120.2575 58.1452 39.5307 175.7986 77 S 4.6448 8.2711 112.1151 57.1852 62.9583 172.4174 78 Y 5.0191 7.1025 115.7167 57.2163 41.0028 175.0610 79 S 4.6791 9.1806 116.4006 56.5290 67.0030 173.6329 80 S 4.7806 8.4117 118.5796 57.9290 63.4491 173.8488 81 L 4.0118 9.0749 128.2410 56.0165 43.0225 175.7361 82 N 5.1816 8.5145 122.7063 50.4034 40.6762 175.0145 83 E 4.2280 8.8100 115.9622 59.2437 29.6303 178.4543 84 K 3.1691 7.8150 118.0246 58.0764 32.5393 177.6753 85 M 4.2678 7.9742 118.2592 56.1605 32.8665 175.3500 86 L 4.7478 7.7995 120.9226 54.2756 42.9928 175.4047 87 H 5.2965 9.3820 126.6535 54.3892 32.9911 172.3703 88 A 5.1441 8.6392 125.6553 50.3747 23.1011 174.7163 89 E 4.9676 9.4149 120.5321 54.5605 33.5208 174.9802 90 V 4.6005 9.0255 125.2473 60.9124 34.5573 173.9830 91 L 4.8632 9.0051 131.7254 54.1301 43.2708 175.2372 92 I 4.8018 8.6710 128.2168 60.0815 39.4583 174.6834 93 N 5.0851 9.5499 124.5442 52.2253 41.3364 173.2315 94 Y 4.2146 8.9173 129.0470 56.1884 39.5391 174.8681 95 N 3.9336 9.9753 128.1706 54.3732 38.0329 174.9138 96 G 3.9506 8.7025 106.0245 44.8424 0.0000 174.6210 97 K 4.2171 8.1531 120.2348 55.7636 32.4253 175.6136 98 K 5.0391 8.5095 123.7947 54.5899 34.6818 175.5234 99 V 4.4990 8.3461 124.3509 60.8400 34.8536 173.8455 100 L 4.6978 9.0036 131.1245 53.8790 43.2729 175.2636 101 G 4.1594 8.9920 115.3942 45.1502 0.0000 172.0485 102 V 4.7431 8.4642 124.2987 60.6480 35.0631 173.6800 103 L 5.0198 8.7874 130.0996 53.4010 44.2033 174.6146 104 N 5.3657 9.1971 125.0049 52.0848 42.6054 172.5538 105 Y 4.4134 8.9807 127.8342 57.9146 40.3271 173.8125 106 D 4.7480 8.7171 128.3622 52.8341 41.6937 176.8313 107 E 4.0107 8.9931 127.0689 59.4132 29.9746 178.8819 108 G 3.8238 8.2929 106.5598 48.5891 0.0000 174.3227 109 L 4.0922 8.3230 117.9119 54.2119 42.4207 175.9868 110 D 4.2290 7.4780 116.9884 53.2957 40.1522 172.6089 111 Y 4.7396 6.3810 117.9342 55.7631 42.8791 172.6435 112 P 4.9815 0.0000 0.0000 62.0413 30.6866 174.8458 113 V 3.9724 8.6568 128.1744 63.7720 32.8509 174.0506 114 M 5.2181 8.8058 127.5651 53.8496 33.9343 174.6191 115 Y 5.1716 8.8397 120.9576 55.6330 42.4533 173.7508 116 A 5.2018 8.6394 119.5007 50.8329 22.5403 175.8699 117 K 4.8512 8.7935 119.1939 54.3584 36.9059 175.6518 118 E 4.3816 9.1786 125.5331 56.7169 30.2575 175.9417 119 V 4.5990 8.7003 119.2843 59.5745 36.1746 175.8576 120 L 4.2548 8.3427 120.0071 55.1616 41.7547 176.9252 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 S 8.19 4.53 0.00 4.19 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 1 L 8.75 3.96 0.00 1.83 1.77 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.52 4.27 0.00 2.90 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 3 D 8.74 4.89 0.00 3.02 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 4 P 0.00 4.53 0.00 2.16 2.18 0.00 3.81 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 5 A 8.19 4.95 1.53 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 0.00 0.00 6 E 8.84 4.41 0.00 2.50 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 0.00 2.47 2.44 0.00 7 K 8.16 4.18 0.00 1.82 1.95 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.06 7.81 8 Y 8.25 4.11 0.00 3.05 2.61 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 9 F 8.12 4.91 0.00 3.14 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 10 N 8.66 5.05 0.00 2.79 2.85 0.00 0.00 6.08 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 11 C 8.04 4.50 0.00 3.36 3.01 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 12 T 8.42 4.26 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 1.23 0.00 0.00 13 D 8.60 4.48 0.00 2.80 3.12 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 14 I 7.81 3.79 1.97 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 1.86 1.64 1.01 0.00 0.00 15 Q 7.95 4.15 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 16 R 8.17 3.74 0.00 1.38 1.51 0.00 2.70 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 0.50 0.55 0.00 17 A 8.22 3.92 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 18 F 8.32 3.96 0.00 3.30 3.17 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 19 F 8.44 4.32 0.00 3.23 3.29 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 20 E 8.53 3.77 0.00 2.13 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 0.00 2.47 2.39 0.00 21 A 8.18 4.06 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 22 G 7.97 3.47 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 0.00 0.00 0.00 0.00 23 I 7.31 3.57 1.83 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.09 0.82 0.00 0.00 24 K 7.93 3.98 0.00 1.95 1.84 0.00 1.52 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 L 7.99 4.09 0.00 1.70 1.70 0.88 0.83 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 26 G 8.34 3.68 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 0.00 27 A 8.59 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.02 3.93 2.03 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 1.57 0.84 1.04 0.00 0.00 29 F 8.40 4.08 0.00 3.24 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 30 H 8.06 4.16 0.00 3.25 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.18 3.84 0.00 1.86 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 1.82 1.29 0.00 32 Y 7.75 4.51 0.00 3.21 2.97 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 33 T 6.70 4.04 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 0.62 0.00 0.00 34 G 9.17 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 35 I 7.50 4.05 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.09 1.07 0.00 0.00 36 P 0.00 5.11 0.00 1.89 2.00 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 37 V 9.38 4.92 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 0.75 0.00 0.00 0.97 0.00 0.00 38 N 9.42 4.69 0.00 2.92 3.09 0.00 0.00 6.71 7.29 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 39 S 8.73 4.17 0.00 4.01 4.06 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 40 E 8.37 4.10 0.00 2.14 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 2.35 2.27 0.00 41 N 8.09 4.91 0.00 2.80 2.96 0.00 0.00 6.08 7.05 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 42 A 8.04 3.96 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 43 S 8.00 4.09 0.00 3.88 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 44 M 8.06 4.00 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 45 A 8.23 4.01 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 46 E 8.23 3.84 0.00 2.18 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 0.00 2.32 2.61 0.00 47 E 8.33 4.17 0.00 2.18 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 2.33 2.39 0.00 48 F 8.39 4.08 0.00 3.13 3.17 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 49 I 7.78 3.12 1.58 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.31 0.47 0.00 0.00 50 E 8.14 3.83 0.00 2.10 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 2.40 2.43 0.00 51 R 7.87 3.97 0.00 1.71 1.90 0.00 3.15 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 52 S 7.84 4.06 0.00 3.76 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 53 T 7.77 4.00 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 1.18 0.00 0.00 54 M 7.77 4.19 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 55 I 7.16 4.00 1.82 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 1.76 0.49 0.88 0.00 0.00 56 Q 7.27 4.24 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 57 P 0.00 3.77 0.00 1.34 0.93 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 58 F 8.33 4.08 0.00 3.32 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 59 V 7.26 4.37 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 0.70 0.00 0.00 0.99 0.00 0.00 60 E 9.19 4.46 0.00 1.99 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 2.25 2.25 0.00 61 N 7.73 5.04 0.00 2.75 2.56 0.00 0.00 6.58 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 62 V 8.24 4.95 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 0.87 0.00 0.00 0.88 0.00 0.00 63 R 9.15 4.83 0.00 1.74 1.78 0.00 3.12 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 1.52 1.55 0.00 64 I 9.07 4.99 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.92 0.00 0.00 65 S 9.20 4.89 0.00 3.74 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 66 I 9.51 4.76 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 1.23 0.57 0.92 0.00 0.00 67 N 9.07 4.82 0.00 2.56 2.73 0.00 0.00 7.10 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 68 N 8.28 4.13 0.00 2.84 2.85 0.00 0.00 6.96 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 69 V 7.33 3.98 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 0.74 0.00 0.00 0.94 0.00 0.00 *76 Y 8.14 4.88 0.00 2.93 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 77 S 8.27 4.64 0.00 4.03 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 78 Y 7.10 5.02 0.00 3.10 2.94 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 79 S 9.18 4.68 0.00 3.70 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 80 S 8.41 4.78 0.00 3.71 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 81 L 9.07 4.01 0.00 1.84 1.58 0.92 0.45 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 82 N 8.51 5.18 0.00 2.75 2.82 0.00 0.00 5.98 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 83 E 8.81 4.23 0.00 2.40 2.42 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 2.29 2.26 0.00 84 K 7.81 3.17 0.00 1.66 1.50 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.83 7.81 85 M 7.97 4.27 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 86 L 7.80 4.75 0.00 1.65 1.66 0.94 0.96 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 87 H 9.38 5.30 0.00 3.32 3.25 0.00 5.78 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 88 A 8.64 5.14 1.18 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 89 E 9.41 4.97 0.00 1.84 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 2.16 2.25 0.00 90 V 9.03 4.60 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 0.92 0.00 0.00 0.90 0.00 0.00 91 L 9.01 4.86 0.00 1.74 1.63 0.94 0.95 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 92 I 8.67 4.80 1.82 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 1.08 0.77 0.99 0.00 0.00 93 N 9.55 5.09 0.00 2.78 2.77 0.00 0.00 6.93 7.76 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 94 Y 8.92 4.21 0.00 2.75 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 95 N 9.98 3.93 0.00 2.11 2.68 0.00 0.00 7.53 8.02 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 96 G 8.70 3.95 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 0.00 0.00 0.00 97 K 8.15 4.22 0.00 2.01 1.79 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.70 7.81 98 K 8.51 5.04 0.00 1.87 1.67 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 99 V 8.35 4.50 1.73 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 0.44 0.00 0.00 0.08 0.00 0.00 100 L 9.00 4.70 0.00 1.72 1.49 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.99 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 0.00 0.00 0.00 0.00 102 V 8.46 4.74 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 0.87 0.00 0.00 0.65 0.00 0.00 103 L 8.79 5.02 0.00 1.71 1.46 0.90 0.55 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 0.00 104 N 9.20 5.37 0.00 2.96 2.78 0.00 0.00 6.40 8.31 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 0.00 105 Y 8.98 4.41 0.00 3.35 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 0.00 106 D 8.72 4.75 0.00 2.66 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 0.00 107 E 8.99 4.01 0.00 2.05 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 2.49 2.63 0.00 108 G 8.29 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 0.00 109 L 8.32 4.09 0.00 1.57 1.68 0.92 1.25 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 0.00 110 D 7.48 4.23 0.00 2.82 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 0.00 111 Y 6.38 4.74 0.00 3.13 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 0.00 112 P 0.00 4.98 0.00 1.73 2.17 0.00 2.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.93 0.00 113 V 8.66 3.97 2.31 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 1.18 0.00 0.00 1.03 0.00 0.00 114 M 8.81 5.22 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 115 Y 8.84 5.17 0.00 3.07 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 0.00 116 A 8.64 5.20 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 0.00 117 K 8.79 4.85 0.00 1.78 1.73 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.59 7.81 118 E 9.18 4.38 0.00 2.13 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 2.51 0.00 119 V 8.70 4.60 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 0.75 0.00 0.00 0.91 0.00 0.00 120 L 8.34 4.25 0.00 1.63 1.57 0.93 0.80 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 * Residues marked with a * may have inaccurate shift predictions.