NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5274 8.3144 120.1396 56.7276 34.4944 174.3214 3 K 4.4603 8.5492 122.2000 54.0337 35.1494 173.9340 4 I 4.3584 9.3739 129.8815 61.5370 38.3716 174.7579 5 I 4.4692 8.4816 127.8062 59.7836 38.6054 174.9530 6 E 4.8679 8.6796 127.0785 54.8108 32.7276 174.4306 7 T 4.6686 9.8088 120.8370 60.5773 70.5792 174.1319 8 Q 4.3011 8.6805 125.6462 57.2454 29.0487 176.9225 9 R 4.1817 7.9324 116.4457 56.7915 30.5279 175.9841 10 A 5.0043 7.2045 119.1851 49.0309 22.0328 174.2374 11 P 4.3805 0.0000 0.0000 62.3906 31.9891 177.2222 12 G 3.6711 8.4707 110.5607 44.8941 0.0000 173.2983 13 A 3.8198 8.4971 124.9512 52.3288 17.9031 177.1111 14 I 3.8640 7.8425 119.0580 62.9794 38.7560 180.2191 15 G 3.9116 7.6524 114.6543 43.5307 0.0000 171.5972 16 P 4.5357 0.0000 0.0000 61.1084 29.5920 174.4407 17 Y 4.8591 6.8140 120.4583 56.8074 41.0896 175.2693 18 V 4.5138 8.0691 113.6354 59.5539 34.4094 176.2667 19 Q 4.3378 8.7520 121.0582 59.1996 29.6597 176.5466 20 G 4.5704 7.8368 103.3869 45.2372 0.0000 172.1404 21 V 4.9481 8.9893 120.0182 60.9147 35.4537 173.6296 22 D 5.1612 9.3715 127.7059 52.7651 42.7511 176.1791 23 L 4.3666 9.2029 126.2167 54.6455 41.6124 177.4744 24 G 4.3585 8.2581 116.2796 45.1787 0.0000 175.1014 25 S 4.4778 7.7661 114.0162 59.5695 65.0089 173.2468 26 M 5.2451 7.9212 119.0164 53.5354 36.7108 174.0741 27 V 4.9659 8.9758 121.8491 61.1949 34.9589 174.0725 28 F 5.2858 9.2254 126.2053 55.9608 41.5105 174.8120 29 T 5.0595 8.4572 113.1579 59.9497 70.9160 174.5819 30 S 4.3671 8.8466 119.7860 58.1705 64.0278 174.3816 31 G 3.7908 8.3586 108.9368 46.2286 0.0000 173.0450 32 Q 4.7030 9.3962 126.5520 54.7716 30.2439 175.3299 33 I 4.7422 8.2501 117.4087 57.6632 40.4341 174.4611 34 P 4.6575 0.0000 0.0000 62.1823 30.6930 174.6596 35 V 4.5492 6.9662 125.1216 62.8595 31.4185 175.1790 *37 P 4.4704 0.0000 0.0000 62.2722 32.9942 177.7802 38 Q 4.2664 8.1828 116.8314 57.3254 29.2557 176.3940 39 T 4.3352 7.9930 105.2755 60.7449 70.4805 175.3740 40 G 3.9710 8.3873 109.6236 45.0533 0.0000 173.3582 41 E 4.2102 7.7255 117.2949 55.8345 30.5054 176.1767 42 I 4.7308 8.2054 120.8523 57.8809 38.7548 174.1506 43 P 4.3773 0.0000 0.0000 62.5412 31.8783 176.4993 44 A 4.0894 8.5072 123.7076 54.9332 18.8710 178.4011 45 D 4.6199 7.8838 115.1913 53.6372 43.1612 177.5391 46 V 3.5996 8.3439 126.4378 64.8242 31.4958 178.2704 47 Q 3.9207 8.7408 120.6633 59.3314 28.9095 178.2973 48 D 4.3857 8.1638 119.2628 57.3487 40.8440 178.6169 49 Q 3.9875 8.4538 118.7520 58.7481 28.8038 178.5895 50 A 3.9386 8.2372 122.0422 55.1663 18.4037 179.5794 51 R 3.7480 7.9937 117.1770 59.5279 30.1504 178.5305 52 L 3.9151 7.9784 120.0394 58.1178 42.1176 178.9185 53 S 4.1008 8.2322 115.3585 61.7514 62.7285 176.7918 54 L 3.5801 7.5704 121.1833 57.6523 41.1057 179.4738 55 E 4.0253 8.2505 118.6459 59.4058 29.0936 179.2072 56 N 4.3425 8.2789 116.7296 56.0658 38.5853 177.5559 57 V 3.6051 7.7780 119.7113 65.9122 31.5489 177.8636 58 K 3.9012 8.3250 119.2546 59.5877 32.0016 178.3861 59 A 4.0030 8.2229 121.0030 55.3128 18.1474 179.7866 60 I 3.7163 7.5327 118.0430 64.5111 37.2621 178.8133 61 V 3.6144 7.8261 119.1648 65.9636 31.2598 178.2962 62 V 4.2360 8.4648 119.5472 65.4787 31.1877 177.8932 63 A 3.9989 8.0512 119.2689 54.6955 18.2637 178.5517 64 A 4.3205 7.5751 116.9104 52.3460 18.8204 178.1430 65 G 3.8136 8.1226 105.6204 45.5041 0.0000 173.3109 66 L 4.9039 7.7323 121.0568 52.6940 44.5414 174.9066 67 S 4.9488 8.7869 113.0341 56.9894 66.4584 174.9168 68 V 3.4312 8.2921 119.3019 65.9849 31.0289 177.6891 69 G 3.8185 7.9168 106.2813 47.3039 0.0000 173.4697 70 D 4.6075 8.1919 119.6752 54.8444 41.4795 176.4314 71 I 4.3337 7.7675 121.7841 61.1875 37.7390 175.6228 72 I 4.5314 8.9256 117.5482 60.6928 40.1954 175.1277 73 K 5.1747 7.7051 123.3542 55.0865 35.9341 174.3665 74 M 5.3210 9.1145 125.6984 53.8941 36.2592 174.3237 75 T 4.7726 8.7999 119.5239 61.6925 71.6149 173.4285 76 V 4.3922 8.5278 127.2013 61.2106 33.6086 173.9679 77 F 5.3041 8.9430 128.3747 56.3963 40.4326 175.4274 78 I 5.3314 8.8608 116.6540 59.5318 41.0851 175.9189 79 T 4.5003 8.7563 111.9249 62.4108 70.5205 174.2149 80 D 4.7064 7.8052 122.5173 52.2978 42.8350 175.3809 81 L 4.1006 9.2574 128.8974 57.4750 41.3241 179.0640 82 N 4.5129 8.5873 115.9278 55.6353 38.6964 176.2020 83 D 4.5685 8.3645 119.9921 55.6759 41.0026 178.0496 84 F 3.9819 8.2958 122.1363 60.9892 39.3598 176.7150 85 A 3.8336 8.0030 119.9809 55.4372 18.2396 179.6403 86 T 3.7711 7.7023 113.6370 66.7457 68.5486 176.8669 87 I 3.6039 7.6888 121.7890 64.4238 37.1139 178.0275 88 N 3.8588 8.0212 118.0865 56.3809 38.6048 176.5464 89 E 3.9308 8.0791 120.8195 59.1876 29.7157 178.9630 90 V 3.6288 7.8030 118.4088 66.0387 31.6220 177.4258 91 Y 4.0856 8.3844 119.6377 60.5645 38.6331 177.7291 92 K 4.1439 8.7343 121.0125 59.9364 32.3339 178.6708 93 Q 4.0991 8.4049 118.2493 58.8274 28.1993 178.6440 94 F 4.1138 8.5492 121.6815 61.4723 39.4573 177.2946 95 F 3.8526 8.4034 117.2415 60.5708 38.7678 177.4677 96 D 4.4167 8.8045 118.9806 57.5172 40.4173 178.7245 97 E 3.9817 8.5159 118.4274 58.9507 29.3913 178.0831 98 H 4.5224 7.2779 113.3842 54.1161 29.4915 174.8902 99 Q 3.2576 7.7269 118.3576 57.0664 26.8203 173.6962 100 A 4.7440 7.7887 118.7372 50.1406 21.3405 177.6174 101 T 3.6990 8.2864 119.4367 63.4660 69.1710 173.9524 102 Y 3.9622 7.6140 123.3658 57.2988 38.4337 174.2801 103 P 4.7365 0.0000 0.0000 62.0540 32.7354 175.6765 104 T 4.2149 8.5210 110.1799 62.2605 69.9295 173.3157 105 R 5.5041 8.0102 120.5582 56.0602 33.2629 173.9946 106 S 4.7873 8.5438 119.6374 56.8126 66.8798 172.4908 107 C 5.5263 8.3075 122.5535 56.7970 34.2358 173.3429 108 V 4.5213 8.1444 117.6121 59.7830 36.3227 173.8112 109 Q 4.8952 8.6434 124.7244 55.3525 29.6818 175.7256 110 V 4.2222 8.5595 120.9461 60.0253 33.3196 176.5509 111 A 4.0920 8.6028 123.7663 55.2220 18.4133 177.6900 112 R 4.5033 7.1776 111.3377 55.7635 32.9725 173.2131 113 L 4.8622 7.8431 120.5928 51.6531 45.6280 174.3568 114 P 4.3994 0.0000 0.0000 64.5745 31.5848 176.9451 115 K 3.8059 9.2817 119.4230 57.0397 29.5426 174.9617 116 D 4.4428 8.1254 115.4844 55.3564 38.8409 174.7795 117 V 3.9585 7.2313 111.1060 61.2622 32.3709 176.7845 118 K 4.5412 9.6246 121.0209 57.6398 32.9601 176.6876 119 L 5.1598 7.5742 117.9635 54.8063 43.2117 174.3951 120 E 4.9377 9.4167 120.7366 54.8689 33.5001 173.8663 121 I 5.1026 9.0131 127.6027 59.5021 40.5858 174.0776 122 E 5.0601 9.0586 125.3312 54.5330 32.1891 174.9347 123 A 5.3416 8.8932 123.4100 50.2529 23.1359 174.8566 124 I 4.7862 8.6633 119.5274 59.3453 40.8023 174.7774 125 A 5.1810 9.0452 127.8870 50.1296 22.6643 175.0502 126 V 4.7527 8.4184 112.2770 59.4563 35.0144 175.7385 127 R 4.2848 8.6571 125.3300 55.3746 30.5319 176.5555 128 S 4.3778 8.5579 121.8411 58.7685 63.0659 174.2591 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 2 K 8.31 4.53 0.00 1.80 1.90 0.00 1.49 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 3 K 8.55 4.46 0.00 1.92 1.67 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.36 7.81 4 I 9.37 4.36 1.89 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 1.36 0.66 0.93 0.00 0.00 5 I 8.48 4.47 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.99 0.00 0.00 6 E 8.68 4.87 0.00 1.92 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 2.18 2.29 0.00 7 T 9.81 4.67 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 1.38 0.00 0.00 8 Q 8.68 4.30 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 9 R 7.93 4.18 0.00 1.83 1.98 0.00 3.11 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 10 A 7.20 5.00 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 11 P 0.00 4.38 0.00 2.11 2.04 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.35 0.00 12 G 8.47 3.67 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 0.00 0.00 0.00 13 A 8.50 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.84 3.86 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 1.56 0.79 0.94 0.00 0.00 15 G 7.65 3.91 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 0.00 0.00 0.00 16 P 0.00 4.54 0.00 2.21 2.09 0.00 3.91 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 2.05 1.97 0.00 17 Y 6.81 4.86 0.00 3.04 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 18 V 8.07 4.51 2.13 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 0.77 0.00 0.00 1.03 0.00 0.00 19 Q 8.75 4.34 0.00 2.27 2.22 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 2.55 2.45 0.00 20 G 7.84 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.99 4.95 2.15 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 0.97 0.00 0.00 0.97 0.00 0.00 22 D 9.37 5.16 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.20 4.37 0.00 1.84 1.75 1.10 0.92 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 24 G 8.26 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 0.00 0.00 0.00 0.00 25 S 7.77 4.48 0.00 3.93 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 26 M 7.92 5.25 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 27 V 8.98 4.97 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 1.07 0.00 0.00 1.00 0.00 0.00 28 F 9.23 5.29 0.00 3.08 2.98 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 29 T 8.46 5.06 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 1.25 0.00 0.00 30 S 8.85 4.37 0.00 3.78 3.65 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 31 G 8.36 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 0.00 0.00 0.00 32 Q 9.40 4.70 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 33 I 8.25 4.74 1.88 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 1.41 0.65 0.91 0.00 0.00 34 P 0.00 4.66 0.00 2.24 2.49 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 35 V 6.97 4.55 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 0.90 0.00 0.00 0.95 0.00 0.00 *37 P 0.00 4.47 0.00 2.25 2.18 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.16 0.00 38 Q 8.18 4.27 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 39 T 7.99 4.34 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 1.21 0.00 0.00 40 G 8.39 3.97 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 0.00 0.00 0.00 41 E 7.73 4.21 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 2.31 2.28 0.00 42 I 8.21 4.73 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 1.27 1.56 0.96 0.00 0.00 43 P 0.00 4.38 0.00 2.17 2.05 0.00 3.91 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 1.99 1.96 0.00 44 A 8.51 4.09 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 45 D 7.88 4.62 0.00 2.72 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 0.00 46 V 8.34 3.60 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 0.78 0.00 0.00 0.94 0.00 0.00 47 Q 8.74 3.92 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 48 D 8.16 4.39 0.00 2.87 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 49 Q 8.45 3.99 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 50 A 8.24 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.75 0.00 1.94 2.06 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 52 L 7.98 3.92 0.00 1.90 1.77 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.23 4.10 0.00 3.84 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 54 L 7.57 3.58 0.00 1.23 0.13 0.62 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.25 4.03 0.00 2.10 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 2.56 2.52 0.00 56 N 8.28 4.34 0.00 2.90 3.06 0.00 0.00 6.59 7.23 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 57 V 7.78 3.61 2.15 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 1.02 0.00 0.00 0.96 0.00 0.00 58 K 8.32 3.90 0.00 2.09 2.06 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.38 7.81 59 A 8.22 4.00 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 60 I 7.53 3.72 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 1.01 0.00 0.00 61 V 7.83 3.61 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 1.00 0.00 0.00 1.01 0.00 0.00 62 V 8.46 4.24 2.15 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 1.33 0.00 0.00 0.93 0.00 0.00 63 A 8.05 4.00 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 64 A 7.58 4.32 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 65 G 8.12 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 0.00 0.00 0.00 66 L 7.73 4.90 0.00 1.88 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.79 4.95 0.00 3.85 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 68 V 8.29 3.43 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.37 0.00 0.00 69 G 7.92 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 70 D 8.19 4.61 0.00 2.86 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 71 I 7.77 4.33 2.24 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 1.11 0.00 0.00 72 I 8.93 4.53 1.86 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 1.07 0.97 0.95 0.00 0.00 73 K 7.71 5.17 0.00 1.79 1.59 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.31 7.81 74 M 9.11 5.32 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 75 T 8.80 4.77 4.13 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 0.43 0.00 0.00 76 V 8.53 4.39 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 1.01 0.00 0.00 77 F 8.94 5.30 0.00 3.09 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 78 I 8.86 5.33 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 1.00 0.00 0.00 79 T 8.76 4.50 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 1.28 0.00 0.00 80 D 7.81 4.71 0.00 2.67 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 81 L 9.26 4.10 0.00 1.71 1.70 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.59 4.51 0.00 2.82 2.90 0.00 0.00 7.02 8.91 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 83 D 8.36 4.57 0.00 2.86 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 84 F 8.30 3.98 0.00 3.22 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 85 A 8.00 3.83 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 86 T 7.70 3.77 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 1.19 0.00 0.00 87 I 7.69 3.60 1.74 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 1.38 0.81 0.84 0.00 0.00 88 N 8.02 3.86 0.00 1.67 2.49 0.00 0.00 6.90 8.01 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 89 E 8.08 3.93 0.00 2.17 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 0.00 2.30 2.47 0.00 90 V 7.80 3.63 2.23 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 0.94 0.00 0.00 0.95 0.00 0.00 91 Y 8.38 4.09 0.00 3.14 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 92 K 8.73 4.14 0.00 1.93 2.03 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.56 7.81 93 Q 8.40 4.10 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.80 0.00 94 F 8.55 4.11 0.00 3.01 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 95 F 8.40 3.85 0.00 3.50 3.40 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 96 D 8.80 4.42 0.00 2.80 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 97 E 8.52 3.98 0.00 1.86 1.77 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 2.29 2.50 0.00 98 H 7.28 4.52 0.00 2.73 3.09 0.00 6.00 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.73 3.26 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 100 A 7.79 4.74 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 0.00 101 T 8.29 3.70 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 1.14 0.00 0.00 102 Y 7.61 3.96 0.00 2.95 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 0.00 103 P 0.00 4.74 0.00 2.07 2.26 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 104 T 8.52 4.21 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 1.21 0.00 0.00 105 R 8.01 5.50 0.00 1.79 1.71 0.00 2.69 0.00 0.00 3.48 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 106 S 8.54 4.79 0.00 3.64 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.31 5.53 0.00 2.82 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 0.00 108 V 8.14 4.52 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 0.63 0.00 0.00 1.07 0.00 0.00 109 Q 8.64 4.90 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 110 V 8.56 4.22 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 0.80 0.00 0.00 1.06 0.00 0.00 111 A 8.60 4.09 1.27 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 0.00 0.00 112 R 7.18 4.50 0.00 1.72 1.73 0.00 3.18 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 113 L 7.84 4.86 0.00 1.84 1.48 1.05 1.02 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 0.00 114 P 0.00 4.40 0.00 2.15 1.99 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 115 K 9.28 3.81 0.00 1.91 1.90 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.46 7.81 116 D 8.13 4.44 0.00 2.83 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 0.00 117 V 7.23 3.96 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 0.72 0.00 0.00 1.03 0.00 0.00 118 K 9.62 4.54 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.31 7.81 119 L 7.57 5.16 0.00 1.79 1.64 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.42 4.94 0.00 2.06 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 2.35 2.32 0.00 121 I 9.01 5.10 1.89 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 1.35 0.69 0.98 0.00 0.00 122 E 9.06 5.06 0.00 2.14 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 0.00 2.31 2.29 0.00 123 A 8.89 5.34 1.27 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 0.00 0.00 124 I 8.66 4.79 1.69 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 0.67 0.54 0.36 0.00 0.00 125 A 9.05 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.42 4.75 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 0.65 0.00 0.00 0.97 0.00 0.00 127 R 8.66 4.28 0.00 1.82 1.94 0.00 3.40 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 128 S 8.56 4.38 0.00 3.89 3.74 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 * Residues marked with a * may have inaccurate shift predictions.