NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6466 8.3649 119.5546 52.9496 41.8741 174.4064 2 K 4.4495 8.4216 119.7459 55.8105 33.6192 173.6083 3 A 4.8686 7.3917 120.8010 50.6374 22.6128 175.2727 4 T 4.4929 8.6384 110.1178 59.8919 72.3283 173.2949 5 I 4.3481 7.9322 123.5902 59.3129 37.6936 174.0602 6 P 4.2704 0.0000 0.0000 64.8023 31.5006 177.2358 7 S 4.5816 7.5646 110.9197 56.0969 65.2147 172.7957 8 E 4.1697 9.3189 129.0680 58.6209 29.5462 176.5895 9 S 4.9111 7.7158 110.2557 55.2681 65.7624 171.5491 10 P 4.8494 0.0000 0.0000 63.0399 32.1266 175.2647 11 F 5.1740 8.1116 115.7934 54.9319 42.3450 173.2612 12 A 4.5132 8.8251 119.9521 51.5591 19.0045 178.4690 13 A 3.9574 9.3257 125.8372 55.4568 18.6135 180.0043 14 A 4.1119 8.0122 116.8828 55.0514 18.5436 178.0054 15 E 4.2696 8.4720 113.9559 57.1055 29.8347 177.0859 16 V 3.8824 7.7592 120.1930 61.8179 32.1850 175.6270 17 A 4.0820 8.5410 129.9663 52.3041 18.9507 176.4239 18 D 4.3950 9.0511 122.2963 57.0857 41.1033 177.5390 19 G 3.8809 7.8816 110.4172 43.8933 0.0000 172.2600 20 A 4.6540 7.8982 127.4569 49.6267 22.6327 175.7171 21 I 4.0650 8.1255 120.7376 60.9006 37.9967 175.1268 22 V 4.7484 8.2786 127.1250 60.8370 34.1292 174.9525 23 V 4.2863 8.4730 127.8180 61.0233 33.4871 174.6131 24 D 5.1172 9.4675 128.8902 54.4711 42.4930 175.7142 25 I 5.1995 8.5897 121.2949 59.8127 40.8860 174.4801 26 A 4.6002 9.3005 126.0411 51.3836 23.1715 175.8999 27 K 4.0748 9.6758 117.1784 57.9722 29.7979 175.2123 28 M 3.2455 8.7223 111.9496 56.0071 30.3882 177.3932 29 K 4.5574 7.6440 115.7293 54.8326 36.4920 175.9214 30 Y 4.8393 8.1081 119.8026 57.6599 38.7454 175.7264 31 E 4.1828 8.9019 123.7576 58.8411 29.9944 177.5376 32 T 4.7813 7.6962 113.2513 60.9449 71.6516 172.1357 33 P 4.4741 0.0000 0.0000 64.6974 32.8111 175.4164 34 E 4.7715 7.9457 120.8334 55.7491 31.1554 173.1566 35 L 4.5584 9.0267 130.4334 54.0394 43.9483 174.6094 36 H 5.1943 8.8178 123.3623 54.5453 30.3464 174.4596 37 V 4.5907 8.8115 115.9691 59.9485 36.8330 174.2613 38 K 4.8380 9.3440 120.6366 54.3615 34.7982 176.8708 39 V 3.7353 8.3519 121.6222 65.1545 31.6054 176.5408 40 G 4.0263 9.4473 116.0094 45.1131 0.0000 173.3755 41 D 4.6699 8.1728 119.9692 54.4888 42.3427 175.3376 42 T 5.0210 8.3765 118.0154 62.0975 70.3475 174.0697 43 V 4.3442 8.8792 126.7000 61.4496 34.2165 174.5132 44 T 5.0324 8.5888 123.6097 61.6393 71.8542 172.9833 45 W 5.0727 9.5446 127.2327 55.8226 31.3005 175.6077 46 I 4.9399 8.8762 124.5508 59.4443 40.2002 174.1311 47 N 4.8804 9.1558 127.2833 53.5429 39.5815 175.3735 48 R 4.6429 9.2823 125.2924 56.2161 30.7119 175.6210 49 E 4.7628 8.6616 116.8938 53.9128 32.9569 176.6528 50 A 3.9231 8.5583 121.7182 54.9942 18.6327 177.9355 51 M 3.8921 8.0797 115.1144 55.6113 32.3450 174.0266 52 P 5.1781 0.0000 0.0000 62.6668 32.3677 175.4471 53 H 5.1203 8.6254 118.9896 54.4848 33.7731 172.0375 54 N 4.9372 8.3827 115.7894 51.8839 40.5333 173.2551 55 V 4.4787 7.9550 110.0795 60.0872 35.4881 174.6962 56 H 5.1068 8.8841 123.7921 54.7632 33.0917 171.7391 57 F 5.0908 9.4905 125.9165 55.8563 40.7426 176.5721 58 V 4.3097 8.5728 116.8352 60.6145 33.0825 175.4914 59 A 4.2106 8.5658 124.7676 54.3774 18.4344 178.3702 60 G 4.0323 9.0597 110.9191 45.4124 0.0000 175.2603 61 V 3.9593 7.5794 118.6066 65.5000 31.9393 176.8762 62 L 4.2550 7.8660 117.2189 53.8408 42.5538 176.3210 63 G 3.9426 7.3493 106.2744 45.4651 0.0000 172.8425 64 E 3.8112 8.9989 119.2070 59.2718 29.5344 177.4183 65 A 4.4992 7.6946 117.9420 50.9154 19.6279 177.0095 66 A 4.3577 8.6335 121.4588 52.3289 19.6419 177.4824 67 L 4.4526 9.1687 122.8012 53.2368 44.0031 175.0603 68 K 4.3947 8.4379 128.0956 54.4669 32.5739 176.1994 69 G 3.5073 8.6241 115.9781 44.8486 0.0000 170.5865 70 P 4.4468 0.0000 0.0000 62.3101 32.2799 176.1504 71 M 4.2536 8.4346 121.5297 56.0691 32.7621 175.4430 72 M 4.5012 9.2411 123.4239 53.9107 34.6071 176.5951 73 K 4.6094 8.9211 123.2514 54.6971 34.8560 176.0423 74 K 4.1975 8.4192 121.3282 57.7257 32.4891 175.9546 75 E 3.8399 9.3891 124.1484 57.4723 27.7403 173.7774 76 Q 5.1626 7.8012 117.0007 54.4324 32.0795 174.4683 77 A 5.1047 8.1396 121.2207 50.8891 23.2792 174.5865 78 Y 5.1115 8.7803 119.5182 56.5248 42.6311 174.0657 79 S 5.5388 8.3384 121.2039 56.9666 66.6048 173.3015 80 L 4.6296 8.9172 120.6049 53.5520 46.3367 175.3376 81 T 4.8492 8.5975 120.0893 61.9632 70.8735 173.4422 82 F 4.8332 9.0070 126.0398 56.4128 40.4574 176.3880 83 T 4.6038 8.8524 113.4853 61.4211 69.7310 174.0965 84 E 4.6349 8.0927 122.2016 54.2166 32.8037 174.3127 85 A 4.2546 8.9144 128.6785 51.7165 19.0198 177.4045 86 G 3.8366 7.0202 108.6396 45.3981 0.0000 170.6472 87 T 4.6098 7.1648 115.1086 61.6460 71.6874 173.6515 88 Y 4.9196 9.0624 123.9875 56.3349 40.8587 174.8757 89 D 5.1644 9.0336 124.6472 54.3410 42.3490 175.3196 90 Y 4.7873 8.3460 118.9009 56.2144 42.1402 172.8232 91 H 5.6935 8.7740 114.3836 54.5295 33.0811 171.3748 92 C 4.9390 8.4864 118.6478 58.2640 32.4418 173.7081 93 T 3.9014 9.3231 124.9943 66.4459 68.1337 173.7470 94 P 4.4490 0.0000 0.0000 64.3575 32.2600 176.0832 95 H 4.5754 7.8751 117.1928 52.8841 28.5122 172.2435 96 P 4.4525 0.0000 0.0000 64.6226 31.7344 177.8697 97 F 4.2929 7.6776 111.7903 58.5011 38.4016 174.9113 98 M 4.3233 7.5896 123.0791 54.3124 32.3859 175.2831 99 R 5.0021 8.5860 122.3035 54.4416 34.1091 175.0875 100 G 3.6917 7.7442 108.1862 44.9942 0.0000 171.1568 101 K 5.2647 8.5305 117.2596 54.7080 37.2174 175.9191 102 V 4.6750 9.1395 123.0571 61.2267 34.0008 174.3557 103 V 4.4994 8.9152 128.6341 61.2674 33.4130 174.2958 104 V 4.7076 8.7310 128.9453 61.1496 33.6813 175.3309 105 E 4.3878 8.9721 127.0475 56.4813 29.4689 175.9519 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 D 8.36 4.65 0.00 2.36 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 0.00 0.00 0.00 2 K 8.42 4.45 0.00 1.53 1.49 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.47 7.81 3 A 7.39 4.87 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 4 T 8.64 4.49 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 1.12 0.00 0.00 5 I 7.93 4.35 1.83 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 1.29 0.51 0.96 0.00 0.00 6 P 0.00 4.27 0.00 1.92 2.00 0.00 3.57 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 1.91 1.95 0.00 7 S 7.56 4.58 0.00 3.70 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 8 E 9.32 4.17 0.00 1.99 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 2.32 2.42 0.00 9 S 7.72 4.91 0.00 4.03 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 10 P 0.00 4.85 0.00 1.95 1.98 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 11 F 8.11 5.17 0.00 3.07 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 12 A 8.83 4.51 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 13 A 9.33 3.96 1.41 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 0.00 0.00 0.00 14 A 8.01 4.11 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 15 E 8.47 4.27 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 2.41 2.30 0.00 16 V 7.76 3.88 2.24 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 0.81 0.00 0.00 1.21 0.00 0.00 17 A 8.54 4.08 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 18 D 9.05 4.40 0.00 2.63 2.74 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 0.00 0.00 0.00 0.00 19 G 7.88 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 20 A 7.90 4.65 1.24 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 21 I 8.13 4.06 1.97 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 0.51 0.82 0.00 0.00 22 V 8.28 4.75 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 0.78 0.00 0.00 0.97 0.00 0.00 23 V 8.47 4.29 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 1.28 0.00 0.00 0.61 0.00 0.00 24 D 9.47 5.12 0.00 2.81 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 25 I 8.59 5.20 1.97 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.10 0.76 0.00 0.00 26 A 9.30 4.60 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 27 K 9.68 4.07 0.00 1.89 1.88 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.39 7.81 28 M 8.72 3.25 0.00 2.36 2.22 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 2.57 2.67 0.00 29 K 7.64 4.56 0.00 1.96 1.65 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 30 Y 8.11 4.84 0.00 3.09 3.03 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 0.00 0.00 0.00 31 E 8.90 4.18 0.00 2.28 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 2.37 2.33 0.00 32 T 7.70 4.78 4.36 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 1.31 0.00 0.00 33 P 0.00 4.47 0.00 2.12 2.32 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 34 E 7.95 4.77 0.00 1.97 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 2.20 2.27 0.00 35 L 9.03 4.56 0.00 1.82 1.52 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.82 5.19 0.00 3.06 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.81 4.59 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 0.69 0.00 0.00 0.89 0.00 0.00 38 K 9.34 4.84 0.00 1.62 1.71 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 39 V 8.35 3.74 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 0.83 0.00 0.00 1.00 0.00 0.00 40 G 9.45 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.17 4.67 0.00 2.79 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 42 T 8.38 5.02 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 1.17 0.00 0.00 43 V 8.88 4.34 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 -0.23 0.00 0.00 0.92 0.00 0.00 44 T 8.59 5.03 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 1.35 0.00 0.00 45 W 9.54 5.07 0.00 3.45 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 46 I 8.88 4.94 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.99 0.00 0.00 47 N 9.16 4.88 0.00 2.95 2.89 0.00 0.00 6.70 7.18 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 48 R 9.28 4.64 0.00 1.84 1.98 0.00 3.39 0.00 0.00 3.38 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 49 E 8.66 4.76 0.00 2.13 2.04 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 2.34 2.30 0.00 50 A 8.56 3.92 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 51 M 8.08 3.89 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 52 P 0.00 5.18 0.00 1.91 1.91 0.00 3.68 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 53 H 8.63 5.12 0.00 3.04 3.07 0.00 5.56 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 54 N 8.38 4.94 0.00 2.55 2.69 0.00 0.00 5.85 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 55 V 7.95 4.48 0.96 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 -0.85 0.00 0.00 0.24 0.00 0.00 56 H 8.88 5.11 0.00 2.97 2.85 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.49 5.09 0.00 3.09 3.11 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 0.00 58 V 8.57 4.31 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 0.88 0.00 0.00 1.00 0.00 0.00 59 A 8.57 4.21 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 60 G 9.06 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.58 3.96 2.44 0.00 0.00 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 1.14 0.00 0.00 62 L 7.87 4.25 0.00 1.58 1.39 -0.16 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.35 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 0.00 0.00 0.00 64 E 9.00 3.81 0.00 1.95 2.01 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 2.31 2.34 0.00 65 A 7.69 4.50 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 66 A 8.63 4.36 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 67 L 9.17 4.45 0.00 1.66 1.59 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.44 4.39 0.00 1.52 1.57 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 0.95 7.81 69 G 8.62 3.51 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 0.00 70 P 0.00 4.45 0.00 1.93 1.92 0.00 2.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.97 0.00 71 M 8.43 4.25 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 72 M 9.24 4.50 0.00 1.92 2.07 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 2.49 2.46 0.00 73 K 8.92 4.61 0.00 1.83 1.75 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.36 7.81 74 K 8.42 4.20 0.00 1.79 1.73 0.00 1.83 0.00 0.00 1.23 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.59 7.81 75 E 9.39 3.84 0.00 2.18 2.04 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 2.24 2.43 0.00 76 Q 7.80 5.16 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 77 A 8.14 5.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 5.11 0.00 3.00 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 79 S 8.34 5.54 0.00 3.74 3.70 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 80 L 8.92 4.63 0.00 1.43 0.80 0.73 0.76 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 81 T 8.60 4.85 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 1.16 0.00 0.00 82 F 9.01 4.83 0.00 3.11 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 83 T 8.85 4.60 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 84 E 8.09 4.63 0.00 1.94 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 2.30 2.36 0.00 85 A 8.91 4.25 1.29 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 0.00 0.00 86 G 7.02 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 87 T 7.16 4.61 4.05 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 1.12 0.00 0.00 88 Y 9.06 4.92 0.00 3.17 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 89 D 9.03 5.16 0.00 2.61 2.55 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 0.00 0.00 0.00 0.00 90 Y 8.35 4.79 0.00 1.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.77 5.69 0.00 3.23 3.30 0.00 5.52 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.49 4.94 0.00 2.98 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 93 T 9.32 3.90 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 1.22 0.00 0.00 94 P 0.00 4.45 0.00 2.01 2.06 0.00 3.44 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 1.32 1.74 0.00 95 H 7.88 4.58 0.00 2.53 1.38 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.45 0.00 2.04 2.02 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 2.05 2.04 0.00 97 F 7.68 4.29 0.00 3.14 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 98 M 7.59 4.32 0.00 1.25 1.75 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.47 0.00 99 R 8.59 5.00 0.00 1.61 1.67 0.00 3.17 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.73 0.00 100 G 7.74 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 0.00 0.00 0.00 101 K 8.53 5.26 0.00 1.62 1.66 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.44 7.81 102 V 9.14 4.68 1.89 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 0.17 0.00 0.00 1.27 0.00 0.00 103 V 8.92 4.50 1.63 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 0.84 0.00 0.00 0.76 0.00 0.00 104 V 8.73 4.71 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 1.07 0.00 0.00 0.81 0.00 0.00 105 E 8.97 4.39 0.00 1.85 1.80 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 2.21 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.