NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2380 8.3344 116.7853 58.4699 65.4396 173.6352 -7 D 5.2706 7.4705 125.6248 51.6181 40.8200 174.3907 -6 P 4.2069 0.0000 0.0000 65.7730 32.2258 177.8855 -5 S 5.0303 7.9904 110.7547 58.9376 63.0083 174.6231 -4 S 4.7554 8.5819 116.5483 58.3186 63.9803 176.0018 -3 I 4.3784 7.7770 122.9336 63.3383 37.6506 177.7145 -2 N 5.0555 7.6306 116.1628 52.6893 39.5059 176.4588 -1 G 4.0189 7.8718 103.3393 45.0253 0.0000 172.0182 -7 G 4.5906 7.4605 114.0248 42.5181 0.0000 172.9907 -6 I 3.9569 9.3189 128.6996 63.5730 38.9258 176.9855 -5 V 4.6803 7.7104 114.2547 62.8376 32.1083 176.3231 -4 V 4.4054 8.3019 120.0483 62.2186 33.0803 177.7018 -3 A 4.5284 8.0170 126.8336 54.7383 17.9506 179.1145 -2 M 4.7955 7.5106 117.0628 54.9893 33.5059 177.5588 -1 T 4.4089 7.6918 108.1393 61.7253 67.7284 171.8182 8 G 3.9130 8.4711 110.7955 44.3745 0.0000 171.4921 9 K 4.0509 8.6840 122.2278 56.6624 31.8377 176.8440 10 D 4.4810 8.7623 127.0111 54.5709 38.6966 173.1321 11 C 4.7235 7.4888 110.1060 57.5034 32.3153 172.4758 12 V 4.9887 7.8463 112.0269 59.9285 35.4870 174.5640 13 A 4.6536 8.3606 122.9807 50.2822 22.1729 175.3670 14 I 5.1342 8.1895 120.3417 59.3231 40.8881 174.1453 15 A 4.9595 8.5533 129.4589 50.6903 22.4897 174.1604 16 C 5.3934 8.3606 112.8198 57.3340 32.9695 172.9227 17 D 4.8239 8.5140 119.8967 52.6818 41.1431 175.8185 18 L 4.9683 8.2565 115.1812 53.6575 43.3991 176.9779 19 R 4.3477 8.0049 119.8383 56.5318 31.2253 176.0135 20 L 4.2816 8.6322 127.1622 54.2792 44.9925 174.4278 21 G 4.5218 8.4813 112.9012 44.5560 0.0000 171.1019 22 S 4.6840 8.7823 113.8117 56.8559 63.8298 174.5626 23 Q 3.5510 8.3027 130.3033 56.9832 26.9426 177.1026 24 S 4.1773 8.8084 120.8261 61.5778 63.3563 174.1105 25 L 4.0306 7.7837 124.6818 54.4412 41.9007 176.1663 26 G 4.0503 8.5405 115.8040 45.4643 0.0000 171.7447 27 V 4.1773 8.4456 120.6716 63.6201 33.6950 175.4431 28 S 4.8619 8.3289 114.1337 56.3859 64.8752 173.4579 29 N 5.4962 8.7238 122.8996 52.8112 37.4889 174.6586 30 K 4.5376 7.9560 114.5436 56.8040 34.3221 177.2732 31 F 4.4308 8.3437 124.6847 57.8550 38.5511 174.0436 32 E 4.1195 8.1681 123.8289 55.6220 30.4055 176.5597 33 K 4.2591 8.3575 120.0011 55.9926 34.1905 175.0513 34 I 4.6961 7.0696 120.8582 59.5256 39.4163 174.7371 35 F 4.9574 9.4264 124.5943 56.1441 44.0524 173.3443 36 H 4.7179 7.4118 112.6293 54.0084 30.9259 172.4252 *38 Y 4.8291 7.8281 117.8656 58.7875 39.1556 175.1997 39 G 3.8455 8.2120 116.4621 47.3487 0.0000 173.3877 40 H 4.6752 8.9009 120.3822 54.9754 29.1889 174.3264 41 V 4.1738 7.4092 121.8769 61.8976 32.9497 174.4649 42 F 5.0469 9.1782 126.6902 55.6932 41.6613 174.4883 43 L 5.2843 9.3441 124.7327 53.3993 45.1712 175.1762 44 G 4.5813 9.6172 113.7465 44.7336 0.0000 172.2613 45 I 5.2171 8.8966 123.9004 59.7438 40.7192 175.1241 46 T 4.5019 8.4851 117.2972 60.1254 71.6444 172.2933 47 G 4.1359 8.8290 105.4556 44.0310 0.0000 173.6946 48 L 4.1510 9.1949 125.3807 54.8595 42.5639 178.0378 49 A 4.1493 10.1617 128.8666 56.0397 18.0444 179.0545 50 T 3.8301 7.9608 110.6342 65.4125 67.3890 175.8417 51 D 4.3641 8.1612 120.4484 56.7795 41.1241 178.6852 52 V 3.6680 7.9528 118.9793 66.3275 31.5911 178.2128 53 T 3.8134 8.3285 115.5653 67.0013 68.3305 176.5735 54 T 3.7611 8.0334 117.7722 66.9093 68.4256 176.6068 55 L 3.3910 7.9748 120.9183 57.2886 41.5207 179.2098 56 N 4.4584 7.6490 118.0518 56.3390 38.9435 176.7989 57 E 3.9634 8.0800 119.9818 59.4698 29.3725 179.2521 58 M 3.7240 7.8044 118.2271 58.7403 32.3451 178.4805 59 F 4.3201 7.8815 117.9340 59.9989 38.8486 177.8779 60 R 3.7804 7.8959 120.1594 58.8898 29.8275 177.5584 61 Y 4.0177 7.8396 119.2054 60.9638 38.7567 178.5779 62 K 4.2598 8.6402 119.8038 59.7371 32.0848 179.6157 63 T 4.0173 8.3536 110.4738 64.5826 68.6609 176.5283 64 N 4.4378 8.4162 119.7148 56.3285 38.6379 177.3549 65 L 3.9975 7.6869 120.4739 57.7792 41.6793 178.8069 66 Y 4.0131 8.2101 119.5914 60.6892 38.6253 178.3017 67 K 4.4431 8.2434 121.8019 59.0866 32.1081 178.8365 68 L 3.9592 7.7206 118.2034 57.2760 41.5304 179.2670 69 K 4.1371 7.7789 117.4279 59.2229 32.5420 179.0008 70 E 3.8446 8.2490 117.3693 56.8238 29.5175 176.7926 71 E 3.8717 8.3583 117.4070 56.7044 27.5180 174.1691 72 R 4.4541 7.2963 110.6291 55.3085 31.8200 173.5329 73 A 4.3686 8.5236 122.5868 51.4799 19.3082 177.6611 74 I 3.7987 8.2416 121.7120 61.2045 38.3289 175.8263 75 E 4.6221 8.3212 124.7071 54.1577 32.5028 175.5317 76 P 4.3277 0.0000 0.0000 66.1076 31.2965 178.6127 77 E 3.9705 8.2438 116.4178 59.8982 29.4443 179.5356 78 T 3.8624 7.8594 114.8802 66.6376 68.6417 176.2091 79 F 4.0533 8.5353 122.8963 61.6908 39.3601 177.0305 80 T 3.6939 8.1739 115.4287 66.9478 68.2404 176.5167 81 Q 3.9388 7.7116 119.8477 58.7000 28.6973 178.4616 82 L 3.9038 7.7665 121.5150 57.9244 42.0963 179.2525 83 V 3.3575 7.6683 118.5302 65.7758 31.3918 177.8377 84 S 4.0745 7.9650 113.0815 61.5729 62.3868 176.3726 85 S 4.1897 8.1627 116.8573 61.6268 62.4817 176.5465 86 S 4.1914 7.9785 117.9773 61.1887 62.8254 176.4356 87 L 4.2441 8.1308 121.8044 58.0247 41.5545 178.8654 88 Y 3.9229 8.2326 119.1161 60.0957 38.4515 177.2476 89 E 4.0803 8.0429 118.9475 57.8265 29.9779 177.0038 90 R 4.3999 7.5361 118.3120 55.6039 30.9868 178.0089 91 R 3.2634 7.0408 120.6165 59.0322 29.7303 177.3686 92 F 4.9712 7.0461 113.9260 56.9115 40.0171 175.8439 93 G 4.2503 7.2713 103.2698 44.7789 0.0000 172.4499 94 P 4.0735 0.0000 0.0000 62.4120 32.5567 176.0439 95 Y 4.2491 7.7921 117.1968 57.8223 38.9069 176.8526 96 F 4.6663 9.1939 125.2817 56.4418 37.5129 174.6318 97 V 5.0193 7.8268 114.0028 59.5828 36.6187 176.2872 98 G 4.1638 9.0907 108.5567 43.9337 0.0000 170.3781 99 P 5.0977 0.0000 0.0000 62.7408 33.0185 175.8112 100 V 4.4618 9.1017 121.9883 61.5038 34.9810 173.8235 101 V 5.1035 8.6186 127.2070 61.2479 33.7573 174.5025 102 A 4.7265 9.0933 128.4881 50.1638 22.8082 175.3965 103 G 4.3836 7.9416 107.7705 46.6525 0.0000 172.0787 104 I 4.5865 8.2644 120.3905 58.9567 39.3166 175.7256 105 N 4.9663 8.7623 121.9096 53.4533 38.7676 174.3101 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 8.33 4.24 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 -7 D 7.47 5.27 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 1.31 1.52 0.00 3.25 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.60 0.00 -5 S 7.99 5.03 0.00 4.08 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 -4 S 8.58 4.76 0.00 3.76 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 -3 I 7.78 4.38 1.84 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 1.54 0.81 0.88 0.00 0.00 -2 N 7.63 5.06 0.00 2.75 2.73 0.00 0.00 7.66 7.58 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 -1 G 7.87 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 -7 G 7.46 4.59 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 -6 I 9.32 3.96 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 1.41 1.09 0.91 0.00 0.00 -5 V 7.71 4.68 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 0.87 0.00 0.00 0.93 0.00 0.00 -4 V 8.30 4.41 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 0.81 0.00 0.00 0.93 0.00 0.00 -3 A 8.02 4.53 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 -2 M 7.51 4.80 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 -1 T 7.69 4.41 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 1.21 0.00 0.00 8 G 8.47 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 9 K 8.68 4.05 0.00 1.70 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.76 4.48 0.00 2.82 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 11 C 7.49 4.72 0.00 3.01 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 12 V 7.85 4.99 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 0.73 0.00 0.00 0.85 0.00 0.00 13 A 8.36 4.65 1.10 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 0.00 0.00 14 I 8.19 5.13 1.81 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 1.28 0.97 0.71 0.00 0.00 15 A 8.55 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.36 5.39 0.00 3.05 2.83 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 17 D 8.51 4.82 0.00 2.72 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 18 L 8.26 4.97 0.00 1.62 1.75 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.00 4.35 0.00 1.85 2.01 0.00 3.25 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.63 4.28 0.00 1.55 1.54 0.75 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.48 4.52 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 0.00 22 S 8.78 4.68 0.00 3.75 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 23 Q 8.30 3.55 0.00 2.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 24 S 8.81 4.18 0.00 3.97 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 25 L 7.78 4.03 0.00 1.69 1.75 0.92 0.95 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 26 G 8.54 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 0.00 0.00 0.00 0.00 27 V 8.45 4.18 2.20 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 0.83 0.00 0.00 0.97 0.00 0.00 28 S 8.33 4.86 0.00 3.86 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 29 N 8.72 5.50 0.00 2.84 2.85 0.00 0.00 5.87 7.13 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 30 K 7.96 4.54 0.00 1.64 1.84 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.34 4.43 0.00 3.12 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 32 E 8.17 4.12 0.00 1.59 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 2.22 2.36 0.00 33 K 8.36 4.26 0.00 1.62 1.97 0.00 1.77 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.54 7.81 34 I 7.07 4.70 1.73 0.00 0.00 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 1.21 0.77 1.01 0.00 0.00 35 F 9.43 4.96 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.41 4.72 0.00 1.93 1.65 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.83 4.83 0.00 2.69 2.83 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 39 G 8.21 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 40 H 8.90 4.68 0.00 3.34 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.41 4.17 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 0.74 0.00 0.00 0.69 0.00 0.00 42 F 9.18 5.05 0.00 3.19 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 43 L 9.34 5.28 0.00 2.07 1.77 1.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.62 4.58 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 0.00 0.00 0.00 45 I 8.90 5.22 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 1.05 0.00 0.00 46 T 8.49 4.50 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 1.28 0.00 0.00 47 G 8.83 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 48 L 9.19 4.15 0.00 1.88 1.76 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.16 4.15 1.04 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 0.00 0.00 50 T 7.96 3.83 4.28 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 1.29 0.00 0.00 51 D 8.16 4.36 0.00 3.07 2.76 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 52 V 7.95 3.67 2.63 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 1.41 0.00 0.00 1.26 0.00 0.00 53 T 8.33 3.81 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 1.25 0.00 0.00 54 T 8.03 3.76 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 1.02 0.00 0.00 55 L 7.97 3.39 0.00 1.59 1.63 0.87 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.65 4.46 0.00 1.61 2.45 0.00 0.00 6.95 7.08 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 57 E 8.08 3.96 0.00 2.10 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 2.31 2.36 0.00 58 M 7.80 3.72 0.00 1.52 1.69 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 59 F 7.88 4.32 0.00 2.82 2.58 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 60 R 7.90 3.78 0.00 2.17 2.13 0.00 3.21 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 61 Y 7.84 4.02 0.00 3.17 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 62 K 8.64 4.26 0.00 1.96 1.98 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.56 1.64 7.81 63 T 8.35 4.02 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 1.03 0.00 0.00 64 N 8.42 4.44 0.00 2.91 2.86 0.00 0.00 6.90 6.68 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 65 L 7.69 4.00 0.00 1.86 1.74 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.21 4.01 0.00 3.18 3.18 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 67 K 8.24 4.44 0.00 2.14 1.99 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 68 L 7.72 3.96 0.00 1.85 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.78 4.14 0.00 1.60 1.76 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.60 7.81 70 E 8.25 3.84 0.00 1.54 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 1.52 1.47 0.00 71 E 8.36 3.87 0.00 2.07 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 2.22 2.19 0.00 72 R 7.30 4.45 0.00 1.98 1.99 0.00 3.02 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 73 A 8.52 4.37 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 74 I 8.24 3.80 1.20 0.00 0.00 0.53 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 0.20 0.68 0.00 0.00 75 E 8.32 4.62 0.00 2.05 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 2.42 2.39 0.00 76 P 0.00 4.33 0.00 2.19 2.16 0.00 3.66 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 2.17 2.20 0.00 77 E 8.24 3.97 0.00 2.07 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 2.42 2.49 0.00 78 T 7.86 3.86 4.33 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 1.18 0.00 0.00 79 F 8.54 4.05 0.00 3.01 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 80 T 8.17 3.69 4.39 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 1.16 0.00 0.00 81 Q 7.71 3.94 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 82 L 7.77 3.90 0.00 1.67 1.51 0.97 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 83 V 7.67 3.36 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 0.78 0.00 0.00 -0.57 0.00 0.00 84 S 7.97 4.07 0.00 3.95 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 85 S 8.16 4.19 0.00 4.12 4.11 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 86 S 7.98 4.19 0.00 4.25 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 87 L 8.13 4.24 0.00 1.93 1.76 0.98 0.66 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 88 Y 8.23 3.92 0.00 3.13 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 89 E 8.04 4.08 0.00 2.17 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 0.00 2.26 2.31 0.00 90 R 7.54 4.40 0.00 1.70 1.64 0.00 2.84 0.00 0.00 2.79 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.10 0.00 91 R 7.04 3.26 0.00 0.67 0.92 0.00 2.74 0.00 0.00 2.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.05 4.97 0.00 3.00 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 93 G 7.27 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 0.00 0.00 0.00 0.00 94 P 0.00 4.07 0.00 1.85 1.82 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.81 0.00 95 Y 7.79 4.25 0.00 2.90 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 96 F 9.19 4.67 0.00 3.06 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 97 V 7.83 5.02 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 0.79 0.00 0.00 1.02 0.00 0.00 98 G 9.09 4.16 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 0.00 99 P 0.00 5.10 0.00 1.98 2.07 0.00 3.69 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 2.10 2.18 0.00 100 V 9.10 4.46 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 0.95 0.00 0.00 0.97 0.00 0.00 101 V 8.62 5.10 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 1.06 0.00 0.00 1.05 0.00 0.00 102 A 9.09 4.73 1.20 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 0.00 0.00 103 G 7.94 4.38 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 0.00 104 I 8.26 4.59 1.91 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 1.31 0.98 0.93 0.00 0.00 105 N 8.76 4.97 0.00 2.71 2.73 0.00 0.00 7.19 7.56 0.00 0.00 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.