NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2202 8.3144 121.7900 55.8967 33.1366 175.0066 2 E 3.9513 8.6935 128.1076 53.8988 30.3697 175.5116 3 S 4.3750 8.9059 123.0667 58.0350 66.3167 174.5822 4 A 3.9948 8.6342 124.7590 55.2984 18.2076 180.2055 5 A 3.9347 7.9534 118.5533 55.3889 18.6869 179.4959 6 A 3.9946 7.9520 119.3088 55.0965 18.4290 179.5747 7 K 3.9301 8.3018 118.2569 59.7680 32.1624 178.6115 8 F 4.1102 8.4033 120.7100 61.3557 39.3024 176.8805 9 E 3.9901 8.3121 117.7491 59.4222 29.0966 179.1414 10 R 3.8169 8.1685 117.5700 59.8154 30.2348 178.2838 11 Q 4.0376 8.2491 116.0052 57.9279 28.8635 176.3834 12 H 4.5857 7.9484 113.2032 54.8061 30.9783 172.8151 13 M 4.4508 7.7499 120.2580 53.8922 33.0996 176.3350 14 D 4.7367 8.1978 123.6897 52.2891 41.3524 174.6902 15 S 4.1481 8.1496 116.5429 57.2300 63.7667 174.9388 16 G 4.1422 7.9001 114.1583 45.7019 0.0000 171.4353 17 N 4.6962 8.3426 116.1136 54.4116 39.6535 176.2919 18 S 4.6616 7.4555 111.7592 55.5811 62.7354 172.4630 19 P 4.2523 0.0000 0.0000 65.5644 31.7239 177.5867 20 S 4.6889 7.7998 110.9144 57.6798 63.3874 173.8345 21 S 4.1908 7.7615 117.1810 58.5935 62.6678 174.9818 22 S 4.1142 9.0671 122.6815 61.7514 62.4519 176.3975 23 S 4.2951 8.0664 112.8553 59.8702 63.0183 174.0923 24 N 4.7413 8.7803 119.0573 53.4989 39.1092 175.8829 25 Y 4.0188 8.4178 121.4517 61.3866 38.6264 177.8381 26 C 4.1917 8.2728 116.4760 60.0222 38.5431 175.9020 27 N 4.4367 8.1825 117.6936 56.1623 38.1826 177.3930 28 L 4.0417 7.7885 120.3725 57.8505 41.7883 179.2780 29 M 3.6349 7.6848 118.6436 58.7019 31.8532 178.7554 30 M 4.1253 8.1004 118.9474 58.3131 31.9607 178.5598 31 C 4.2704 7.4979 118.8108 61.7058 31.6704 174.9090 32 C 3.9396 8.1767 119.6444 62.6827 31.0997 174.4901 33 R 4.2984 8.2767 115.5906 55.9150 29.4073 176.4264 34 K 3.9174 7.7488 116.0005 58.2625 29.7833 176.1437 35 M 4.6235 8.1949 115.9695 55.4154 32.1378 177.0436 36 T 5.0742 7.7716 108.0116 61.4677 69.7749 172.6208 37 Q 4.6192 8.3556 121.5003 56.3848 30.2691 175.2822 38 G 3.9598 10.7423 112.9306 45.4226 0.0000 172.8386 39 K 3.7542 6.9817 116.8488 55.3268 35.4139 173.5614 40 C 4.8010 8.4113 120.0083 54.8773 41.1178 173.9323 41 K 4.2078 8.3794 127.0712 55.9773 32.4728 174.8791 42 P 4.5901 0.0000 0.0000 65.0032 32.4345 176.4828 43 V 4.8996 7.4543 116.8785 61.2265 34.8527 174.5778 44 N 4.4078 8.5530 122.4372 53.0479 42.8578 172.9289 45 T 4.7137 7.8385 122.7319 61.6948 70.8490 173.6360 46 F 4.7233 9.0336 124.6946 55.6962 41.7703 174.6787 47 V 4.6139 8.4518 122.2630 61.7224 32.9901 174.8985 48 H 4.8975 9.4672 124.2902 55.9156 29.4705 175.2502 49 E 4.2480 8.1379 118.3236 55.5320 30.2625 176.9405 50 S 4.4325 8.2577 115.3513 58.0154 65.2304 174.9424 51 L 3.9636 8.4215 123.3757 58.2364 41.8167 178.9005 52 A 4.0377 7.9529 120.3228 55.3170 18.1869 179.2092 53 D 4.3455 7.7587 116.1850 57.2377 41.0861 178.7945 54 V 3.8206 7.5739 118.5877 65.6191 31.6355 178.2309 55 K 3.9233 8.6175 118.4797 59.3458 31.8547 179.0731 56 A 4.0268 8.0454 120.9258 54.8720 18.2239 179.6799 57 V 3.8320 7.8160 116.7070 65.7543 31.3368 176.7157 58 C 3.9222 7.8549 114.1830 57.8156 39.9545 173.9405 59 S 4.6692 7.5765 115.7573 58.1439 64.0076 174.7212 60 Q 4.6572 7.5506 120.6781 55.2253 28.8223 176.1694 61 K 4.1138 8.6065 126.4172 57.3165 33.2048 176.7780 62 K 4.0146 8.5915 129.9286 56.4116 32.7961 176.1927 63 V 4.5366 8.5230 119.3926 59.9773 36.6929 174.6447 64 T 4.2686 8.2510 118.4787 63.1319 69.4808 175.9785 65 C 4.7256 8.9992 122.7228 56.3051 41.0371 175.2977 66 K 3.8257 8.7230 121.3081 59.2001 31.6649 178.0730 67 N 4.6241 8.1351 114.3874 52.6610 37.3692 175.9468 68 G 3.9337 7.9485 108.2427 45.5571 0.0000 174.3179 69 Q 4.2220 7.9303 119.0448 56.2160 29.2108 176.6373 70 T 4.4970 8.2140 107.6471 61.5175 69.7522 173.4314 71 N 4.8721 7.8771 119.8605 54.1066 38.5345 175.0411 72 C 5.5073 7.5548 115.7993 56.7154 42.2450 172.9322 73 Y 5.1414 9.0045 118.7222 56.3073 42.1399 173.8839 74 Q 5.2012 8.8736 124.8718 53.8887 30.8588 175.4875 75 S 4.4761 8.7493 121.9091 58.7640 63.0513 174.7649 76 K 4.1092 9.1419 123.6913 58.7509 32.2824 177.0989 77 S 5.0240 7.6514 112.8362 56.5066 65.4981 174.3965 78 T 4.0863 8.1974 111.6387 62.0462 69.9479 173.6680 79 M 5.0269 9.2687 122.2428 53.3993 36.8302 175.0775 80 R 4.5601 9.3750 122.0165 56.4308 31.1864 175.8345 81 I 5.0639 8.6725 117.0042 59.5525 42.2080 174.1343 82 T 5.1379 9.0505 118.7993 61.9869 72.0360 172.9104 83 D 4.9442 9.5245 127.0276 53.3759 43.1605 174.8465 84 C 5.4278 9.0573 121.2225 55.5156 39.0733 173.0033 85 R 5.3326 8.7886 123.4762 53.7706 32.9268 175.3127 86 E 4.0223 9.0761 125.3710 56.8495 30.3571 176.9142 87 T 4.3657 8.7006 117.0807 60.2006 70.4316 176.0361 88 G 3.6356 8.4775 110.4920 48.7349 0.0000 175.4213 89 S 4.1903 7.8976 114.7310 60.5952 63.1768 174.6408 90 S 4.2831 7.3741 115.5877 58.0440 62.5640 173.7766 91 K 4.4095 8.7813 127.0322 55.1948 35.6409 174.8839 92 Y 4.3925 8.7411 125.4311 57.8868 39.0186 174.0709 93 P 3.5620 0.0000 0.0000 62.6944 32.1434 177.0582 94 N 4.7051 8.4847 120.2058 52.1448 37.1340 174.2293 95 C 4.6622 7.7353 115.8258 56.8353 40.3788 173.7031 96 A 5.0208 9.1529 125.5427 50.5980 22.3483 174.5744 97 Y 5.0949 9.9160 119.7577 55.9005 41.7681 175.2630 98 K 4.4058 9.3152 124.3350 56.1992 33.9867 175.4891 99 T 5.0841 8.5575 123.7718 62.6596 69.9616 174.1684 100 T 4.6442 8.9724 123.2395 61.7955 72.2183 172.8895 101 Q 4.9750 8.7809 125.3460 54.5921 30.4872 175.2339 102 V 4.5951 8.6643 116.4447 59.7154 37.0507 174.3473 103 E 4.7873 8.7483 119.9609 54.9493 31.5179 175.7254 104 K 4.7774 8.6838 122.8057 54.6758 37.6449 175.6565 105 H 4.8814 9.3104 119.7400 55.9045 29.8644 175.0773 106 I 4.5828 8.4939 115.8434 59.4273 40.7301 174.6554 107 I 4.8191 7.9626 123.4792 59.8872 39.9595 175.1521 108 V 4.7034 8.4129 120.1528 59.3020 35.1689 174.8322 109 A 5.0394 8.6627 124.4444 51.3870 20.4058 175.7992 110 C 5.4562 9.2035 119.4407 55.5124 44.5098 173.4394 111 G 3.9648 9.3756 108.6476 46.4388 0.0000 173.2267 112 G 4.2621 9.0735 108.2479 44.4994 0.0000 172.0973 113 K 4.5934 8.2269 119.9970 53.9146 34.1325 174.7752 114 P 4.3414 0.0000 0.0000 62.6473 31.7806 175.5955 115 S 4.7613 8.2277 114.0664 57.5222 62.7236 173.3871 116 V 4.6122 8.5990 119.7787 58.4790 36.2588 173.3452 117 P 4.8548 0.0000 0.0000 63.2708 31.2052 176.9182 118 V 4.5115 8.9861 115.9150 61.2345 33.9884 175.1799 119 H 4.9081 8.0371 119.4678 54.7655 33.4652 171.4257 120 F 4.7407 8.6102 126.9589 57.0438 39.8882 174.3707 121 D 4.7461 8.6511 125.9797 55.2703 42.8309 175.7675 122 A 4.5008 6.8101 119.2523 52.0420 21.4542 174.5376 123 S 5.2169 8.6169 113.0227 56.8237 66.2469 174.7211 124 V 4.0553 8.9888 114.6963 61.8520 32.4527 175.4032 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 K 8.31 4.22 0.00 1.72 1.81 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.50 7.81 2 E 8.69 3.95 0.00 2.06 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 2.30 2.37 0.00 3 S 8.91 4.37 0.00 4.10 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 4 A 8.63 3.99 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 5 A 7.95 3.93 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 6 A 7.95 3.99 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 7 K 8.30 3.93 0.00 1.96 2.10 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.47 7.81 8 F 8.40 4.11 0.00 3.17 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 9 E 8.31 3.99 0.00 2.33 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 2.50 2.66 0.00 10 R 8.17 3.82 0.00 1.73 2.11 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 11 Q 8.25 4.04 0.00 1.72 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 12 H 7.95 4.59 0.00 1.95 2.83 0.00 5.64 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 13 M 7.75 4.45 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.66 0.00 14 D 8.20 4.74 0.00 2.51 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 15 S 8.15 4.15 0.00 3.90 3.81 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 16 G 7.90 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 17 N 8.34 4.70 0.00 2.72 2.88 0.00 0.00 6.63 7.57 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 18 S 7.46 4.66 0.00 3.94 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 19 P 0.00 4.25 0.00 2.06 2.31 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 20 S 7.80 4.69 0.00 3.96 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 21 S 7.76 4.19 0.00 3.98 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 22 S 9.07 4.11 0.00 4.03 4.15 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 0.00 0.00 0.00 0.00 23 S 8.07 4.30 0.00 4.04 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 24 N 8.78 4.74 0.00 2.95 2.88 0.00 0.00 6.48 8.13 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 25 Y 8.42 4.02 0.00 3.12 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 26 C 8.27 4.19 0.00 3.19 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 27 N 8.18 4.44 0.00 2.89 2.93 0.00 0.00 7.17 6.74 0.00 0.00 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 L 7.79 4.04 0.00 1.66 1.56 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.68 3.63 0.00 1.02 1.37 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.54 0.00 30 M 8.10 4.13 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 2.45 0.00 31 C 7.50 4.27 0.00 3.15 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 32 C 8.18 3.94 0.00 2.90 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 33 R 8.28 4.30 0.00 1.91 2.01 0.00 3.54 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 34 K 7.75 3.92 0.00 1.95 1.94 0.00 1.70 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.55 7.81 35 M 8.19 4.62 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 36 T 7.77 5.07 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 1.43 0.00 0.00 37 Q 8.36 4.62 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.56 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 38 G 10.74 3.96 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 0.00 0.00 0.00 39 K 6.98 3.75 0.00 1.49 1.51 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.26 7.81 40 C 8.41 4.80 0.00 3.18 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 41 K 8.38 4.21 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.41 7.81 42 P 0.00 4.59 0.00 2.15 2.10 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 43 V 7.45 4.90 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 0.76 0.00 0.00 0.96 0.00 0.00 44 N 8.55 4.41 0.00 2.67 2.28 0.00 0.00 6.95 6.55 0.00 0.00 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 T 7.84 4.71 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 0.97 0.00 0.00 46 F 9.03 4.72 0.00 3.01 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 47 V 8.45 4.61 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 0.90 0.00 0.00 1.12 0.00 0.00 48 H 9.47 4.90 0.00 3.14 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.14 4.25 0.00 1.99 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 0.00 2.35 2.26 0.00 50 S 8.26 4.43 0.00 4.06 4.01 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 51 L 8.42 3.96 0.00 1.79 1.71 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.95 4.04 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 53 D 7.76 4.35 0.00 2.76 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 54 V 7.57 3.82 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 1.06 0.00 0.00 1.03 0.00 0.00 55 K 8.62 3.92 0.00 1.97 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.64 7.81 56 A 8.05 4.03 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 57 V 7.82 3.83 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 1.07 0.00 0.00 0.92 0.00 0.00 58 C 7.85 3.92 0.00 2.91 2.72 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 59 S 7.58 4.67 0.00 3.90 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 60 Q 7.55 4.66 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 61 K 8.61 4.11 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.43 7.81 62 K 8.59 4.01 0.00 1.69 1.54 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.00 0.44 7.81 63 V 8.52 4.54 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 0.67 0.00 0.00 0.83 0.00 0.00 64 T 8.25 4.27 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 1.23 0.00 0.00 65 C 9.00 4.73 0.00 3.02 2.99 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 66 K 8.72 3.83 0.00 1.78 1.88 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.38 7.81 67 N 8.14 4.62 0.00 2.79 2.90 0.00 0.00 6.27 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 68 G 7.95 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 69 Q 7.93 4.22 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 70 T 8.21 4.50 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 1.17 0.00 0.00 71 N 7.88 4.87 0.00 3.03 3.11 0.00 0.00 6.07 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 72 C 7.55 5.51 0.00 3.07 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 73 Y 9.00 5.14 0.00 2.86 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 74 Q 8.87 5.20 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 75 S 8.75 4.48 0.00 3.95 3.87 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 0.00 0.00 0.00 76 K 9.14 4.11 0.00 1.91 1.89 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.43 7.81 77 S 7.65 5.02 0.00 3.76 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 78 T 8.20 4.09 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 1.07 0.00 0.00 79 M 9.27 5.03 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 80 R 9.37 4.56 0.00 1.91 1.95 0.00 3.07 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 81 I 8.67 5.06 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 1.00 0.00 0.00 82 T 9.05 5.14 4.45 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 1.37 0.00 0.00 83 D 9.52 4.94 0.00 2.57 2.59 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 84 C 9.06 5.43 0.00 2.82 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 85 R 8.79 5.33 0.00 1.81 1.85 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 86 E 9.08 4.02 0.00 2.10 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 2.00 1.78 0.00 87 T 8.70 4.37 4.21 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 1.24 0.00 0.00 88 G 8.48 3.64 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 0.00 0.00 0.00 89 S 7.90 4.19 0.00 3.84 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 90 S 7.37 4.28 0.00 3.77 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 91 K 8.78 4.41 0.00 1.82 1.67 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.37 7.81 92 Y 8.74 4.39 0.00 2.88 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 93 P 0.00 3.56 0.00 1.75 1.30 0.00 3.50 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.45 0.00 94 N 8.48 4.71 0.00 2.77 2.72 0.00 0.00 7.02 5.12 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 95 C 7.74 4.66 0.00 3.08 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 96 A 9.15 5.02 1.09 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 0.00 0.00 97 Y 9.92 5.09 0.00 2.86 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 98 K 9.32 4.41 0.00 1.83 1.73 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 99 T 8.56 5.08 4.32 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 1.33 0.00 0.00 100 T 8.97 4.64 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 0.00 101 Q 8.78 4.97 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 102 V 8.66 4.60 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 0.86 0.00 0.00 0.96 0.00 0.00 103 E 8.75 4.79 0.00 1.80 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 2.20 2.30 0.00 104 K 8.68 4.78 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 105 H 9.31 4.88 0.00 3.28 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.49 4.58 1.45 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 1.20 0.53 1.03 0.00 0.00 107 I 7.96 4.82 1.83 0.00 0.00 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 1.17 0.88 0.89 0.00 0.00 108 V 8.41 4.70 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 0.53 0.00 0.00 0.97 0.00 0.00 109 A 8.66 5.04 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 0.00 110 C 9.20 5.46 0.00 2.81 2.88 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 0.00 111 G 9.38 3.96 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 0.00 0.00 0.00 112 G 9.07 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 0.00 0.00 0.00 0.00 113 K 8.23 4.59 0.00 1.64 1.66 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.47 7.81 114 P 0.00 4.34 0.00 2.19 2.03 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 115 S 8.23 4.76 0.00 3.85 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 0.00 116 V 8.60 4.61 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 0.63 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.85 0.00 1.95 1.99 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 118 V 8.99 4.51 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 0.66 0.00 0.00 0.99 0.00 0.00 119 H 8.04 4.91 0.00 3.23 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.61 4.74 0.00 3.01 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 0.00 121 D 8.65 4.75 0.00 2.65 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 0.00 122 A 6.81 4.50 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 0.00 123 S 8.62 5.22 0.00 4.03 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 0.00 124 V 8.99 4.06 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 0.98 0.00 0.00