NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4591 8.1776 115.4071 57.8761 64.5536 174.2753 3 S 3.8965 8.3289 114.8848 61.2568 62.4413 175.0620 4 T 3.7852 8.1479 120.1616 66.2304 68.7669 177.2939 5 A 4.0315 7.4003 121.5494 55.1475 18.8184 179.0894 6 L 3.9951 8.0612 119.1054 58.0793 42.2006 178.6261 7 E 3.7176 8.1076 115.1324 57.6015 29.1567 177.7686 *9 A 3.9168 7.8587 121.8214 52.2500 20.8721 179.6864 10 S 3.9571 7.8309 111.7675 61.6511 62.6204 176.5999 11 R 3.8771 7.3026 119.4084 59.6891 29.8917 178.0668 12 F 4.6219 7.8464 116.6872 60.7672 39.0086 177.6174 13 V 3.3320 7.6897 117.8009 65.8559 31.1006 177.0610 14 N 4.6335 8.0012 112.9923 54.1345 38.6729 177.0466 15 R 4.1830 7.6666 120.3918 57.9551 30.5775 176.9740 16 S 4.4880 7.4640 114.0355 56.9301 63.0480 172.9100 17 P 4.3939 0.0000 0.0000 65.5995 30.9625 178.5407 18 F 4.5101 8.2951 119.1027 61.3836 39.2714 176.4798 19 N 4.2442 8.0765 115.0173 56.8434 38.6523 177.2169 20 R 4.0839 8.1058 118.9624 58.9863 29.9497 178.8432 21 W 4.1576 8.3706 127.4331 60.3925 30.9721 177.2465 22 L 4.0023 8.2903 116.9240 53.0872 40.8386 174.3957 23 G 3.7894 7.4822 112.2345 45.4714 0.0000 173.3116 *25 S 4.2289 8.1449 117.6854 58.2564 65.1466 172.5239 26 V 4.4494 8.1074 120.2169 61.7945 31.7619 175.2621 27 L 4.4254 9.1780 128.7047 56.8990 42.6612 177.1008 28 E 4.8740 7.9191 115.5763 55.0766 34.2996 174.6498 29 A 4.9383 8.0170 124.2832 51.0336 22.7480 176.5456 30 G 4.0124 8.2569 109.2393 46.0343 0.0000 173.7329 31 E 3.9906 8.9942 118.2239 59.3117 29.5724 177.8353 32 Q 4.2165 7.9401 115.3887 56.1447 29.8733 176.2436 33 G 3.9411 8.3578 104.6027 43.9031 0.0000 172.2623 34 I 5.1025 8.4594 120.5402 59.1542 42.2204 175.6429 35 V 4.8616 8.7710 125.9740 61.2176 34.3487 174.4280 36 L 5.2523 9.2564 127.7593 53.0687 44.9848 175.6077 37 G 4.6633 8.8946 107.5264 44.6394 0.0000 171.9316 38 I 5.0241 8.4405 113.3778 58.9682 41.6741 173.9052 39 K 4.7889 8.4127 123.2007 54.4232 33.2396 176.5593 40 W 4.3041 9.1974 135.0000 57.6514 31.5807 175.2975 41 R 4.1559 6.8277 120.3817 54.0440 32.1821 175.7064 42 E 3.3991 8.0311 118.1662 59.3750 29.5568 179.3554 43 E 4.1723 7.6825 116.5550 58.5287 29.9107 177.9493 44 L 4.2235 7.4007 118.7249 56.7180 41.9623 177.2706 45 I 4.3463 7.3912 120.3120 61.4352 36.8131 174.6898 46 S 4.2734 8.4877 120.6889 59.1894 63.2235 173.5166 47 S 4.4545 7.8585 115.2470 56.4851 62.5880 173.7640 48 P 4.4164 0.0000 0.0000 65.1865 31.2939 177.2673 49 E 4.2179 8.1956 116.4727 57.8667 30.1532 177.0247 50 I 4.1297 7.4388 109.7925 59.8357 38.4226 175.3614 51 R 3.9421 7.8241 119.6480 57.2743 28.3695 176.4080 52 S 4.7637 7.7943 110.8038 58.3457 64.9744 173.7517 53 T 4.6553 8.8173 120.2444 63.4219 69.1871 174.1556 54 H 3.9582 9.5107 126.6432 56.6726 30.5667 176.3897 55 G 3.6552 8.8752 111.5687 47.9448 0.0000 176.0629 56 G 3.8166 8.4912 107.1269 47.4933 0.0000 175.8351 57 I 3.9826 7.9281 122.4042 64.3797 37.0885 178.3398 58 L 4.1356 8.1452 119.2343 57.6964 41.5388 179.3112 59 A 4.0204 8.2760 120.7922 55.4682 18.3449 179.4749 60 T 3.9790 8.1704 114.3472 67.2329 68.5123 176.6746 61 L 4.0863 7.9120 120.2585 57.6154 41.5296 179.6492 62 V 3.6183 8.1391 118.5283 65.9698 31.4283 177.5928 63 D 4.4092 8.7374 117.8352 57.3853 41.0719 178.0528 64 A 3.6745 8.7333 121.3523 55.0942 18.5572 179.4271 65 A 4.1249 8.4780 119.7943 55.3166 18.5464 180.1722 66 G 3.8145 7.9773 105.6326 47.3879 0.0000 175.0406 67 D 3.3930 7.9797 120.3689 57.5560 41.2148 178.2302 68 Y 4.5272 7.9400 116.7773 60.6170 37.6957 178.3802 69 A 4.0465 7.6936 121.2999 54.9973 18.7508 179.5335 70 V 3.6853 7.6303 116.3499 66.1034 31.5590 177.9765 71 A 4.6472 8.3096 122.2559 54.7292 17.8987 179.5964 72 L 3.8193 7.7291 116.2618 57.7759 41.7129 179.3206 73 K 4.0366 7.9500 117.7286 58.5279 32.5455 178.7556 74 T 4.3668 7.7595 109.4982 62.6699 69.3196 176.4597 75 G 4.2981 9.9643 108.8792 45.0527 0.0000 172.6020 76 H 4.4679 7.3699 113.0332 52.7665 31.5025 171.5359 77 P 4.3600 0.0000 0.0000 62.9689 31.7833 176.2951 78 V 4.5741 8.1112 112.9935 58.8077 35.3040 174.2486 79 P 4.5389 0.0000 0.0000 63.1674 32.5965 176.4409 80 T 4.6502 8.3428 120.2252 62.7411 70.8750 172.5053 *82 D 4.2929 8.0881 119.8919 53.7276 41.4670 173.5737 *84 H 4.8454 8.4644 116.3431 56.4828 31.3980 173.2657 85 V 4.7376 7.6214 122.7910 60.0947 34.2347 173.9875 86 D 4.6412 8.8687 125.0545 52.7892 42.9936 174.8464 87 Y 4.7833 8.2522 120.9747 57.3351 38.6714 174.6812 88 H 4.9032 9.3283 121.9984 56.9108 30.6004 175.6920 89 R 4.7273 7.8055 113.8173 53.8404 34.0406 174.9328 90 V 3.5531 8.3628 120.1651 62.9494 32.1926 175.5299 91 A 4.6120 8.4872 129.4174 50.8029 19.5229 176.7596 92 T 4.4121 8.3155 111.8241 61.1204 70.4343 172.6717 93 P 3.3171 0.0000 0.0000 61.2908 31.3720 176.3860 94 G 4.2050 7.6357 116.5397 44.4608 0.0000 171.7886 95 D 4.8148 8.1575 121.3101 54.5896 41.8763 175.8561 96 L 5.1070 8.4696 119.6275 53.1529 46.0220 175.7723 97 R 5.2037 8.9791 120.3435 54.4245 33.6183 174.8927 98 A 5.1725 9.0399 123.9017 50.3667 22.2325 174.5827 99 E 5.0214 9.5622 123.3410 54.7975 31.8567 175.5225 100 G 4.5141 9.1117 111.7715 44.5339 0.0000 171.8316 101 Q 4.9373 8.9605 121.6900 53.7407 33.5053 174.7682 102 V 4.1804 8.4751 122.6632 62.8961 32.4089 175.5513 103 I 4.1868 8.7550 128.2878 62.6436 38.3892 175.9096 104 H 4.8136 7.9350 119.8702 54.1580 32.3632 171.5744 105 F 4.9012 8.7621 128.7209 56.4358 39.9974 174.1462 106 G 4.0197 7.9679 119.4263 44.1357 0.0000 171.6614 107 K 4.0314 8.4103 117.3049 58.2060 32.6051 177.7007 108 R 4.2825 7.6130 116.1567 55.3918 32.6273 174.7110 109 F 5.5848 7.7889 115.4152 55.8705 43.9891 173.3705 110 A 5.3284 9.1553 120.8617 50.6918 23.0649 175.1189 111 T 5.2712 8.9892 109.9001 59.8887 71.7286 173.0236 112 A 5.3075 9.1511 125.8421 50.5782 22.7651 174.5533 113 H 5.6029 9.0646 116.5533 54.2516 32.0956 173.6874 114 A 5.3502 9.1777 121.9586 50.4800 23.1781 175.1734 115 R 5.0158 9.0023 118.8427 54.3486 33.9074 174.8396 116 V 4.9034 8.8654 123.5723 61.2403 33.8136 174.4256 117 L 5.1975 9.0933 127.5152 54.6707 45.5397 175.7478 118 D 4.2047 9.3590 122.9306 55.2112 38.0151 177.7170 *120 D 4.2688 9.1237 114.4548 53.0192 43.1995 176.1278 121 G 3.9220 8.1816 106.4529 45.9318 0.0000 173.9298 122 N 4.4492 8.2634 118.0969 52.4471 39.0466 174.3422 123 L 4.5306 8.4841 125.1412 55.2610 42.8145 176.4560 124 V 4.4699 8.5360 118.7176 62.2371 34.2375 175.4528 125 A 4.9996 7.6955 119.5814 51.1508 22.5213 175.1508 126 S 5.0192 8.6771 114.0775 56.8568 67.5669 172.6264 127 G 4.3617 8.1425 106.5529 46.1572 0.0000 172.2308 128 R 5.4977 8.7292 115.4169 54.7337 32.9842 174.4160 129 A 4.6722 8.8285 120.0222 50.7072 23.1207 174.7292 130 L 5.0002 7.9763 122.4748 53.6225 43.6144 175.4183 131 Y 5.0051 9.2550 123.5100 56.0548 41.6551 174.3852 132 L 4.2797 8.6993 125.4354 54.4132 42.3250 175.9702 133 I 3.6152 8.8319 129.9760 60.8662 36.6468 176.4160 134 R 3.9216 7.7085 127.7115 56.9790 30.9691 176.1594 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 S 8.18 4.46 0.00 3.99 4.07 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 3 S 8.33 3.90 0.00 4.12 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 4 T 8.15 3.79 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 1.17 0.00 0.00 5 A 7.40 4.03 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 6 L 8.06 4.00 0.00 1.87 1.62 0.89 1.13 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 7 E 8.11 3.72 0.00 2.25 1.99 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 2.23 2.27 0.00 *9 A 7.86 3.92 1.22 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 10 S 7.83 3.96 0.00 3.95 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 11 R 7.30 3.88 0.00 1.74 1.80 0.00 3.31 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 1.77 1.73 0.00 12 F 7.85 4.62 0.00 2.96 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 13 V 7.69 3.33 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 0.97 0.00 0.00 0.38 0.00 0.00 14 N 8.00 4.63 0.00 2.83 2.85 0.00 0.00 7.10 7.21 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 15 R 7.67 4.18 0.00 1.90 2.05 0.00 3.38 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 16 S 7.46 4.49 0.00 4.14 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 17 P 0.00 4.39 0.00 2.28 2.16 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 18 F 8.30 4.51 0.00 3.05 3.15 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 19 N 8.08 4.24 0.00 3.11 2.98 0.00 0.00 7.14 7.82 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 20 R 8.11 4.08 0.00 2.10 2.03 0.00 3.16 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 21 W 8.37 4.16 0.00 3.37 3.45 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 22 L 8.29 4.00 0.00 1.76 1.51 0.47 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.48 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 *25 S 8.14 4.23 0.00 3.91 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 26 V 8.11 4.45 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 0.84 0.00 0.00 0.81 0.00 0.00 27 L 9.18 4.43 0.00 1.65 1.70 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.92 4.87 0.00 1.86 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 2.29 2.31 0.00 29 A 8.02 4.94 1.15 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 0.00 0.00 30 G 8.26 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 0.00 0.00 0.00 31 E 8.99 3.99 0.00 1.95 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 0.00 2.29 2.26 0.00 32 Q 7.94 4.22 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 33 G 8.36 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 34 I 8.46 5.10 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 1.16 1.91 1.03 0.00 0.00 35 V 8.77 4.86 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 0.94 0.00 0.00 0.94 0.00 0.00 36 L 9.26 5.25 0.00 1.64 1.58 1.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.89 4.66 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 0.00 0.00 0.00 38 I 8.44 5.02 1.98 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 1.25 0.95 0.90 0.00 0.00 39 K 8.41 4.79 0.00 1.57 1.75 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.50 7.81 40 W 9.20 4.30 0.00 3.29 3.08 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 41 R 6.83 4.16 0.00 1.60 1.50 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.98 0.00 42 E 8.03 3.40 0.00 1.88 1.98 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 2.49 2.35 0.00 43 E 7.68 4.17 0.00 2.12 2.33 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 2.55 2.47 0.00 44 L 7.40 4.22 0.00 1.52 1.67 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.39 4.35 2.07 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 1.01 0.00 0.00 46 S 8.49 4.27 0.00 3.71 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 47 S 7.86 4.45 0.00 3.94 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 48 P 0.00 4.42 0.00 2.24 2.21 0.00 3.83 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 2.01 1.98 0.00 49 E 8.20 4.22 0.00 2.10 2.12 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 2.25 2.24 0.00 50 I 7.44 4.13 1.87 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 1.30 0.67 0.91 0.00 0.00 51 R 7.82 3.94 0.00 1.98 2.13 0.00 3.16 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 52 S 7.79 4.76 0.00 3.91 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 53 T 8.82 4.66 4.37 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 1.35 0.00 0.00 54 H 9.51 3.96 0.00 3.43 3.25 0.00 5.60 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 55 G 8.88 3.66 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 0.00 0.00 0.00 56 G 8.49 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 57 I 7.93 3.98 2.17 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 1.00 0.00 0.00 58 L 8.15 4.14 0.00 2.17 1.90 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.28 4.02 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 60 T 8.17 3.98 4.64 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 1.42 0.00 0.00 61 L 7.91 4.09 0.00 2.02 1.78 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.14 3.62 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 0.99 0.00 0.00 0.93 0.00 0.00 63 D 8.74 4.41 0.00 2.95 2.89 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 64 A 8.73 3.67 1.47 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 65 A 8.48 4.12 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.98 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 67 D 7.98 3.39 0.00 2.56 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 0.00 0.00 0.00 68 Y 7.94 4.53 0.00 3.10 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 69 A 7.69 4.05 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 70 V 7.63 3.69 1.94 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 1.10 0.00 0.00 0.91 0.00 0.00 71 A 8.31 4.65 1.67 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 72 L 7.73 3.82 0.00 1.82 1.72 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.95 4.04 0.00 1.61 1.01 0.00 1.42 0.00 0.00 0.78 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 1.24 7.81 74 T 7.76 4.37 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 1.49 0.00 0.00 75 G 9.96 4.30 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 0.00 76 H 7.37 4.47 0.00 3.03 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.36 0.00 1.95 2.03 0.00 3.15 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 1.68 1.53 0.00 78 V 8.11 4.57 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 0.80 0.00 0.00 0.80 0.00 0.00 79 P 0.00 4.54 0.00 2.13 2.00 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 80 T 8.34 4.65 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 1.04 0.00 0.00 *82 D 8.09 4.29 0.00 2.72 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 *84 H 8.46 4.85 0.00 3.23 3.21 0.00 5.61 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 85 V 7.62 4.74 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 0.57 0.00 0.00 0.37 0.00 0.00 86 D 8.87 4.64 0.00 2.44 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 0.00 0.00 0.00 0.00 87 Y 8.25 4.78 0.00 2.87 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 88 H 9.33 4.90 0.00 3.00 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.81 4.73 0.00 1.90 1.80 0.00 3.39 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 90 V 8.36 3.55 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 0.93 0.00 0.00 91 A 8.49 4.61 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 92 T 8.32 4.41 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 1.23 0.00 0.00 93 P 0.00 3.32 0.00 1.18 0.49 0.00 3.60 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 1.73 2.02 0.00 94 G 7.64 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 0.00 0.00 0.00 0.00 95 D 8.16 4.81 0.00 2.59 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 96 L 8.47 5.11 0.00 1.58 1.56 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.98 5.20 0.00 1.75 1.82 0.00 3.07 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 98 A 9.04 5.17 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 99 E 9.56 5.02 0.00 1.91 1.90 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 2.27 2.27 0.00 100 G 9.11 4.51 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 0.00 101 Q 8.96 4.94 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 102 V 8.48 4.18 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 0.95 0.00 0.00 0.96 0.00 0.00 103 I 8.76 4.19 1.89 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 0.86 0.17 0.90 0.00 0.00 104 H 7.93 4.81 0.00 3.37 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.76 4.90 0.00 2.91 2.92 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 0.00 106 G 7.97 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 0.00 107 K 8.41 4.03 0.00 1.67 1.80 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.34 7.81 108 R 7.61 4.28 0.00 1.47 0.68 0.00 2.92 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.35 0.00 109 F 7.79 5.58 0.00 2.97 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 0.00 110 A 9.16 5.33 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 0.00 111 T 8.99 5.27 4.31 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 1.25 0.00 0.00 112 A 9.15 5.31 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 0.00 113 H 9.06 5.60 0.00 3.12 3.20 0.00 5.58 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 0.00 114 A 9.18 5.35 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 0.00 115 R 9.00 5.02 0.00 1.76 1.83 0.00 3.12 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 116 V 8.87 4.90 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 1.08 0.00 0.00 0.99 0.00 0.00 117 L 9.09 5.20 0.00 1.55 1.52 1.00 0.81 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 0.00 118 D 9.36 4.20 0.00 2.89 2.65 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 *120 D 9.12 4.27 0.00 2.71 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 0.00 121 G 8.18 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 0.00 0.00 0.00 122 N 8.26 4.45 0.00 3.31 2.77 0.00 0.00 6.67 6.13 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 0.00 123 L 8.48 4.53 0.00 1.59 1.59 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.54 4.47 2.29 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 0.66 0.00 0.00 1.07 0.00 0.00 125 A 7.70 5.00 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 0.00 126 S 8.68 5.02 0.00 3.95 3.99 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 0.00 127 G 8.14 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 0.00 128 R 8.73 5.50 0.00 1.88 1.95 0.00 3.11 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 129 A 8.83 4.67 0.95 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 0.00 130 L 7.98 5.00 0.00 1.54 1.40 0.89 0.65 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 0.00 131 Y 9.25 5.01 0.00 3.01 2.85 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 0.00 132 L 8.70 4.28 0.00 1.78 1.66 0.90 0.96 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 0.00 133 I 8.83 3.62 1.76 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 1.01 0.56 0.88 0.00 0.00 134 R 7.71 3.92 0.00 1.78 1.79 0.00 3.28 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.