NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3673 8.3231 115.4131 57.9160 65.0061 173.9228 9 G 3.7591 7.5391 105.6664 42.7808 0.0000 169.5904 10 P 4.5389 0.0000 0.0000 61.6456 33.0230 174.7953 11 S 4.5691 8.2824 114.8309 57.8007 63.6717 174.2922 12 S 4.3028 8.3443 116.6314 57.6459 63.3673 172.4671 13 P 4.8726 0.0000 0.0000 62.4060 32.3300 175.4050 14 S 4.7205 9.0277 117.1422 56.5204 64.3966 173.2088 15 I 4.3886 8.5179 128.8987 61.7384 36.7825 175.3928 16 D 4.8859 9.2034 127.3110 55.0843 43.5313 176.9495 17 Q 4.4557 7.7846 119.1618 54.8863 32.5493 173.1329 18 V 4.5670 8.4544 126.4314 61.1649 33.9002 174.6117 19 E 4.4224 9.1429 128.7312 54.0325 30.5788 172.8951 20 P 4.5500 0.0000 0.0000 62.2134 32.8744 175.6006 21 Y 4.8835 8.8116 122.1703 56.7751 40.4726 176.3053 22 S 4.4890 8.9937 114.2033 61.9088 63.7133 175.2629 23 S 5.3577 8.3458 112.1182 56.4407 64.7697 173.2818 24 T 5.1718 7.8370 109.6021 60.6583 72.8475 172.3964 25 A 4.9264 8.7588 123.3445 50.6608 23.0569 175.1137 26 Q 4.5161 9.0982 122.3160 54.6460 30.7443 174.9627 27 V 4.4366 8.8058 125.1827 61.3239 33.6032 174.1749 28 Q 5.0098 9.2638 128.3899 54.5188 30.6356 175.0528 29 F 5.4915 8.5378 118.1080 55.3196 41.7404 173.1872 30 D 5.0904 9.2963 118.6520 51.6665 42.4711 174.6779 31 E 5.0898 8.5212 119.8999 53.8743 33.3733 172.8214 32 P 4.3748 0.0000 0.0000 62.6592 32.0704 176.0751 33 E 4.0654 8.6532 121.2327 56.0121 30.0216 176.9799 34 A 4.1672 8.5288 126.1745 52.7995 18.8897 176.9404 35 T 4.6094 7.8969 117.4301 62.9334 72.5552 174.9310 36 G 3.8560 9.2664 111.0397 45.8788 0.0000 174.0146 37 G 3.8469 8.2467 105.6670 46.3778 0.0000 174.9591 38 V 4.2633 7.1152 119.9944 59.7532 30.9447 173.3383 39 P 4.5731 0.0000 0.0000 61.3213 32.5679 177.1202 40 I 3.9086 8.0977 120.4113 61.6731 37.8938 175.8445 41 L 4.5192 9.6294 125.7219 56.2714 43.4326 176.6338 42 K 5.2381 7.6817 115.4970 55.1959 37.3219 174.7228 43 Y 5.1652 9.5457 118.9911 56.1414 41.7035 174.7859 44 K 4.6996 8.9795 123.4403 54.4716 35.1455 174.5790 45 A 5.2922 9.2158 129.2721 50.4938 21.8224 175.2932 46 E 5.4377 9.5339 120.2502 54.4538 33.8051 175.0404 47 W 6.2285 8.8999 119.3761 55.5981 32.6079 173.9000 48 R 4.7034 9.0404 120.7863 54.8417 33.3656 174.0044 49 A 3.8410 8.6806 128.6130 51.3095 19.6967 176.8153 50 V 3.4789 7.9467 122.8697 64.5430 31.8027 175.7678 51 G 3.9957 8.8304 115.2918 45.6895 0.0000 173.5798 52 E 4.2550 7.8874 118.7737 55.6669 30.4936 175.6403 53 E 4.2543 8.3278 120.1089 56.9364 31.3703 176.5050 54 V 3.8791 7.3840 118.3180 61.7790 32.2637 174.8334 55 W 4.4161 8.5987 127.3046 56.4795 30.0019 175.9651 56 H 4.6143 8.7866 122.2513 55.2001 30.0131 174.2775 57 S 4.9006 7.7106 113.1545 57.3282 66.1284 173.0416 58 K 4.7528 9.1614 120.7619 55.2234 35.8080 174.6537 59 W 5.2524 8.7336 125.6246 55.7668 31.2818 175.2435 60 Y 4.9604 9.4956 119.9391 56.1131 42.1260 174.5539 61 D 4.7620 9.0491 122.9042 54.0213 42.3915 176.8227 62 A 4.3882 8.9602 130.0476 55.4060 18.8120 179.4356 63 K 3.9191 8.4648 115.1288 59.8508 32.2402 178.0165 64 E 4.1090 8.0781 117.6175 59.3768 29.9327 178.4444 65 A 4.4496 8.7202 122.0495 53.7403 18.6828 179.0456 66 S 4.2814 8.0368 114.2094 58.3574 62.0539 175.0149 *68 E 4.0165 8.1641 117.8425 55.9167 31.6804 176.2659 69 G 3.2152 7.6616 107.3881 46.7077 0.0000 173.4028 70 I 4.9913 6.9837 117.3228 59.2121 41.7163 176.3635 71 V 4.3002 8.6645 118.0891 59.7117 35.5295 174.5248 72 T 4.8673 8.3474 120.3972 61.9358 70.5030 173.7114 73 I 4.0927 8.5553 127.7430 59.8831 39.0400 175.3758 74 V 4.6256 7.7843 118.5306 59.8028 35.6534 175.3294 75 G 3.8867 8.6905 106.7343 46.5681 0.0000 173.8398 76 L 4.5170 7.9581 119.5966 53.7917 43.3196 176.2454 77 K 4.6227 9.5821 121.5245 55.1145 33.0762 175.5412 78 P 4.8401 0.0000 0.0000 62.4608 32.3732 176.1551 79 E 4.1080 8.0518 114.3796 56.3528 27.7414 176.3874 80 T 4.6935 8.1678 115.7541 62.4505 72.9774 174.6349 81 T 4.6313 8.2044 122.2052 63.1282 70.2606 173.3398 82 Y 4.9595 8.7067 123.0035 55.9825 42.1533 174.3642 83 A 5.2829 9.0461 124.7409 50.8423 21.3798 176.6641 84 V 5.5801 9.4941 120.6370 60.3513 35.3558 174.6226 85 R 5.0473 9.4738 118.6151 55.0514 33.5029 173.6027 86 L 5.3051 9.0134 118.7034 53.0865 46.2614 175.5112 87 A 5.0129 9.0397 122.2628 50.1441 23.0541 174.7606 88 A 4.9799 8.4751 120.1191 49.9188 22.4586 174.9932 89 L 5.1574 9.0476 123.1264 53.4377 45.0364 175.4447 90 N 5.5648 8.7389 123.7063 50.9958 40.2100 174.6409 91 G 3.5866 8.9461 108.1917 49.7705 0.0000 175.8701 92 K 4.0366 7.7935 119.8135 55.4578 32.2033 178.0616 93 G 3.8817 7.1120 102.3375 44.1540 0.0000 171.6760 94 L 4.6377 8.2845 122.5985 54.6689 42.7555 177.9230 95 G 4.4783 8.8449 116.8093 44.9454 0.0000 173.5218 96 E 4.2552 8.5376 117.7756 56.3891 30.1866 174.3379 97 I 4.0779 8.1682 124.1494 60.2297 38.8869 175.6826 98 S 4.5231 8.8398 123.4251 57.6471 64.0102 173.6230 99 A 4.2862 8.4150 121.6762 51.8427 19.0365 177.0122 100 A 4.5605 8.5426 121.8449 52.0194 19.4898 177.5484 101 S 4.8694 9.4984 118.8616 57.1185 65.7392 172.8025 102 E 5.3618 8.7586 122.3573 54.5679 32.1928 174.7748 103 F 5.1700 8.8167 120.0905 55.2375 42.2479 172.9247 104 K 5.1891 8.6885 120.4544 54.6251 34.3443 175.9036 105 T 4.4778 9.0018 117.8426 61.6999 70.4833 174.0750 106 Q 4.2833 9.0316 122.8188 55.1685 30.0237 175.0482 107 P 4.4156 0.0000 0.0000 62.6115 31.6985 176.4880 108 V 3.6776 7.7607 124.1202 63.7439 32.2209 171.3177 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 8 S 8.32 4.37 0.00 3.99 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 9 G 7.54 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.54 0.00 2.30 1.98 0.00 3.78 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 11 S 8.28 4.57 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.34 4.30 0.00 4.04 4.09 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 0.00 0.00 0.00 0.00 13 P 0.00 4.87 0.00 1.74 1.77 0.00 3.82 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.08 0.00 14 S 9.03 4.72 0.00 3.88 4.08 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 15 I 8.52 4.39 1.92 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 1.37 0.67 0.95 0.00 0.00 16 D 9.20 4.89 0.00 2.46 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 17 Q 7.78 4.46 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 18 V 8.45 4.57 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 0.23 0.00 0.00 0.89 0.00 0.00 19 E 9.14 4.42 0.00 1.79 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 20 P 0.00 4.55 0.00 2.18 2.10 0.00 3.22 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 21 Y 8.81 4.88 0.00 3.05 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 22 S 8.99 4.49 0.00 4.06 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 0.00 23 S 8.35 5.36 0.00 3.98 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 24 T 7.84 5.17 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 1.16 0.00 0.00 25 A 8.76 4.93 0.51 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 0.00 0.00 0.00 26 Q 9.10 4.52 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 27 V 8.81 4.44 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 1.03 0.00 0.00 0.71 0.00 0.00 28 Q 9.26 5.01 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.17 0.00 29 F 8.54 5.49 0.00 2.92 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 30 D 9.30 5.09 0.00 2.68 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 31 E 8.52 5.09 0.00 2.45 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 2.62 2.57 0.00 32 P 0.00 4.37 0.00 2.12 2.02 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 33 E 8.65 4.07 0.00 1.98 1.91 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 2.34 2.27 0.00 34 A 8.53 4.17 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 35 T 7.90 4.61 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 1.22 0.00 0.00 36 G 9.27 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 0.00 0.00 0.00 37 G 8.25 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.12 4.26 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 0.86 0.00 0.00 0.99 0.00 0.00 39 P 0.00 4.57 0.00 2.23 2.05 0.00 3.82 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 1.99 1.99 0.00 40 I 8.10 3.91 1.81 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 1.45 0.90 0.37 0.00 0.00 41 L 9.63 4.52 0.00 1.52 1.68 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.68 5.24 0.00 1.96 2.16 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 43 Y 9.55 5.17 0.00 2.93 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 44 K 8.98 4.70 0.00 0.79 0.97 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.61 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.82 0.21 7.81 45 A 9.22 5.29 1.52 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 46 E 9.53 5.44 0.00 1.69 1.86 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 2.08 2.06 0.00 47 W 8.90 6.23 0.00 3.65 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 48 R 9.04 4.70 0.00 0.67 0.66 0.00 2.55 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.24 0.00 49 A 8.68 3.84 0.82 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 50 V 7.95 3.48 1.91 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 0.67 0.00 0.00 0.79 0.00 0.00 51 G 8.83 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 0.00 0.00 0.00 52 E 7.89 4.25 0.00 1.83 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 2.24 2.27 0.00 53 E 8.33 4.25 0.00 1.81 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 2.17 2.30 0.00 54 V 7.38 3.88 1.95 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 0.78 0.00 0.00 0.89 0.00 0.00 55 W 8.60 4.42 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.79 4.61 0.00 1.53 2.34 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.71 4.90 0.00 3.74 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 58 K 9.16 4.75 0.00 2.28 1.95 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.57 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.59 1.34 7.81 59 W 8.73 5.25 0.00 3.14 3.13 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 60 Y 9.50 4.96 0.00 3.01 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 61 D 9.05 4.76 0.00 2.86 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 62 A 8.96 4.39 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 63 K 8.46 3.92 0.00 1.79 2.19 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.62 7.81 64 E 8.08 4.11 0.00 2.03 2.22 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 2.40 2.38 0.00 65 A 8.72 4.45 1.68 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 66 S 8.04 4.28 0.00 4.05 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 *68 E 8.16 4.02 0.00 1.91 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 0.00 2.15 2.26 0.00 69 G 7.66 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 0.00 0.00 0.00 70 I 6.98 4.99 1.77 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 1.20 1.17 0.87 0.00 0.00 71 V 8.66 4.30 0.67 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 0.18 0.00 0.00 0.55 0.00 0.00 72 T 8.35 4.87 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 1.19 0.00 0.00 73 I 8.56 4.09 1.37 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.41 -0.67 0.00 0.00 74 V 7.78 4.63 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 0.66 0.00 0.00 0.94 0.00 0.00 75 G 8.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.96 4.52 0.00 1.55 1.48 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 77 K 9.58 4.62 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.61 7.81 78 P 0.00 4.84 0.00 1.98 2.13 0.00 3.93 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 79 E 8.05 4.11 0.00 2.11 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 2.18 2.09 0.00 80 T 8.17 4.69 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 81 T 8.20 4.63 4.08 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 1.11 0.00 0.00 82 Y 8.71 4.96 0.00 1.49 2.51 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 0.00 83 A 9.05 5.28 1.26 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 0.00 0.00 84 V 9.49 5.58 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 1.21 0.00 0.00 1.23 0.00 0.00 85 R 9.47 5.05 0.00 1.86 2.00 0.00 2.31 0.00 0.00 2.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.31 0.00 86 L 9.01 5.31 0.00 1.35 1.28 0.47 0.89 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 87 A 9.04 5.01 1.05 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 88 A 8.48 4.98 1.19 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 89 L 9.05 5.16 0.00 1.96 1.79 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.74 5.56 0.00 3.05 2.89 0.00 0.00 6.52 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.95 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.79 4.04 0.00 1.81 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.26 7.81 93 G 7.11 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 0.00 0.00 0.00 94 L 8.28 4.64 0.00 1.78 1.64 0.99 1.00 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 95 G 8.84 4.48 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 96 E 8.54 4.26 0.00 1.77 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 2.23 1.88 0.00 97 I 8.17 4.08 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.93 0.73 0.00 0.00 98 S 8.84 4.52 0.00 3.87 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 99 A 8.42 4.29 1.26 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 0.00 0.00 100 A 8.54 4.56 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 0.00 0.00 101 S 9.50 4.87 0.00 3.86 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 0.00 102 E 8.76 5.36 0.00 1.98 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 2.34 0.00 103 F 8.82 5.17 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 104 K 8.69 5.19 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 105 T 9.00 4.48 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 1.53 0.00 0.00 106 Q 9.03 4.28 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 107 P 0.00 4.42 0.00 2.19 2.16 0.00 3.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 108 V 7.76 3.68 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 * Residues marked with a * may have inaccurate shift predictions.