NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3016 8.2644 123.5849 51.5127 19.9490 176.4077 3 V 3.7331 8.3718 122.0092 62.8966 32.3076 172.0587 4 E 4.4504 10.2677 126.7338 56.7485 33.6178 175.0784 5 Y 5.2465 7.9248 115.0917 55.8898 42.7153 174.4536 6 L 4.9706 8.8395 124.2897 53.5557 44.3491 175.0494 7 V 4.7526 9.3042 128.4161 61.4641 33.1253 175.3090 8 D 4.3691 8.1800 127.4148 51.7963 41.8129 177.0631 9 A 3.9399 8.4792 119.6089 55.4966 17.9942 179.6675 10 S 3.9454 7.9527 111.6910 61.6770 63.0065 176.4552 11 A 4.0440 8.1766 124.7069 54.4179 18.1542 178.9987 12 L 3.6987 8.3123 119.2402 58.6821 41.8821 178.7888 13 Y 3.8465 8.3159 116.0125 61.1902 37.7456 178.6254 14 A 4.1304 7.7830 119.2705 54.3557 18.6201 178.9521 15 L 4.3422 7.8548 117.4998 57.0635 41.7966 178.6488 16 A 4.1395 7.9764 120.7968 55.4476 18.3244 178.3829 17 A 4.2626 7.4596 113.7393 54.1038 18.7459 177.4900 18 H 5.1005 8.9324 114.4149 55.4884 30.2340 175.6068 19 Y 3.2074 8.5089 122.4786 60.7841 38.6604 178.0702 20 D 4.1645 8.2639 118.7595 57.4125 40.9221 178.5789 21 K 4.1221 7.9648 116.3306 57.5604 32.2635 177.4854 22 W 5.1753 6.8864 114.1739 55.4643 29.9343 177.0831 23 I 2.9618 6.4523 113.0647 63.4664 36.7458 178.0549 24 K 3.7798 7.8338 121.1480 59.0982 32.3187 176.7396 25 H 4.8496 8.8810 115.0818 55.2491 29.2505 176.5732 26 R 3.9009 7.9346 119.6633 59.5219 28.8393 178.0320 27 E 4.2747 8.1375 112.6902 56.5457 29.9906 176.8001 28 K 4.4812 8.6094 121.5908 57.1104 32.9260 175.4232 29 L 5.4105 7.8487 118.6653 53.6952 44.2632 175.3439 30 A 5.1173 8.8605 122.7189 51.0086 23.6694 174.6124 31 I 5.0701 8.9706 112.2857 59.7787 42.1395 174.0241 32 L 4.8515 8.3850 121.5076 53.1565 43.8550 178.0405 33 H 4.1919 8.8183 117.2984 59.0685 29.1827 177.8017 34 L 4.0971 8.2482 120.4635 58.6985 41.6901 178.7219 35 T 3.9883 7.7561 115.0182 67.0547 68.3994 176.2530 36 I 3.6247 7.5232 121.3570 64.7553 37.1427 178.1785 37 Y 4.0710 7.8406 116.9120 60.9184 37.8947 177.9598 38 E 3.9551 8.6769 119.7572 59.4443 29.5794 179.3394 39 A 4.2621 8.4902 121.2276 55.0022 18.4643 179.9103 40 G 3.6355 8.1685 104.3917 48.0742 0.0000 175.4952 41 N 4.5237 8.5016 119.4464 56.2806 38.7785 176.8464 42 A 4.0314 8.0675 122.1357 55.1271 18.3316 179.3585 43 L 4.1776 8.3835 118.5598 57.5267 42.1503 178.9604 44 W 4.2008 8.3573 128.8667 60.3572 30.7056 178.1995 45 K 3.5242 8.3566 118.4440 59.0259 31.1441 179.2695 46 E 3.9047 7.7098 118.1031 59.2544 29.6689 178.8188 47 A 4.1507 7.6056 120.7210 55.3678 18.2354 179.6488 48 R 3.5959 7.5679 115.4735 58.9846 29.9941 178.1006 49 L 4.6626 7.4745 116.4724 53.6059 42.9119 174.5643 50 G 3.5521 8.7437 113.0577 45.4816 0.0000 172.6383 51 R 4.3987 7.9403 123.2715 54.4749 32.0261 174.5232 52 V 3.7993 8.7859 126.4011 66.1040 31.8553 176.7943 53 D 4.1649 8.1390 117.6654 52.7454 40.6038 177.8178 54 W 3.7453 9.2099 118.9850 59.0015 29.7627 177.4718 55 A 3.3412 6.6180 117.9359 54.0861 18.0423 179.0695 56 A 3.8590 7.5131 118.4395 55.2144 18.5503 179.1946 57 A 4.0158 8.0731 119.0513 55.6779 18.3638 179.8370 58 S 4.1545 8.3422 112.6010 61.7995 62.4858 176.9678 59 R 3.9429 7.9745 121.5095 59.0728 29.7483 178.6042 60 H 4.3118 7.8580 115.8250 58.4548 28.6798 177.2912 61 L 4.0063 8.1173 121.8597 57.8547 41.9464 178.5966 62 K 4.1056 8.0219 119.1046 59.2763 32.1982 178.4888 63 K 4.2618 7.5225 119.6616 58.7936 32.4105 179.6259 64 V 3.9714 7.7612 115.5911 63.9379 31.6919 177.1996 *66 S 4.5697 8.0029 110.8425 57.4900 64.5825 174.9872 67 S 4.5295 8.2904 116.5490 59.7593 63.1888 174.0209 68 F 4.8875 8.2504 118.0941 55.9235 41.0118 175.5219 69 K 4.5537 8.4799 119.7209 55.7388 34.1038 176.0785 70 V 4.8066 8.1477 121.9481 61.1861 33.3626 175.4743 71 L 4.4702 8.5355 128.1878 53.8935 42.7550 176.7947 72 E 4.2610 8.5698 119.5874 56.0765 30.1082 177.0625 73 D 4.5187 8.4846 121.5989 53.7308 41.4874 175.0356 74 P 4.5540 0.0000 0.0000 61.6629 32.4478 174.2641 75 P 4.4230 0.0000 0.0000 61.9285 30.5109 177.2865 76 L 4.1134 8.8509 125.7486 58.3809 41.7758 177.7924 77 D 4.2152 7.9679 116.2612 57.9501 41.7092 177.3481 78 E 3.8982 8.2440 117.4392 59.3754 29.7822 181.1071 79 V 3.5155 6.5695 116.4464 62.5330 30.9615 177.8255 *81 R 4.2089 8.2003 119.5508 55.9098 31.7870 177.4142 82 V 3.6313 7.6551 116.4147 65.7009 31.3059 177.8466 83 A 3.9269 8.4439 120.9350 55.1389 18.0114 179.7402 84 V 3.5180 7.6835 115.9944 66.2038 31.5075 177.7713 85 E 3.9781 7.9489 116.5749 59.8231 29.3893 178.4306 86 R 4.2366 8.4259 115.2712 55.4605 30.2645 177.1434 87 G 4.0321 7.5021 105.3122 47.1073 0.0000 173.1137 88 L 4.8433 7.9881 116.0840 52.0371 45.7645 177.7268 89 T 4.1726 8.0920 111.2084 61.4622 70.9753 175.2508 90 F 3.9752 8.3995 122.3008 61.4408 39.5288 176.5612 91 Y 4.4831 7.6220 115.9684 61.3887 37.7984 178.2320 92 D 4.6808 8.7039 119.9308 57.3877 41.0008 178.6933 93 A 4.0981 8.1271 121.0256 54.7088 18.1397 179.9246 94 S 3.8213 7.6210 113.7150 62.0987 62.9313 176.3965 95 Y 4.0512 7.5694 117.9717 60.8603 37.5794 178.6161 96 A 4.0253 8.1304 121.7473 55.2747 18.5676 179.0490 97 Y 3.8225 8.4620 118.3349 60.8368 38.9796 178.2376 98 V 3.4432 8.1300 119.0818 65.8436 31.6127 177.5761 99 A 3.9704 8.0857 120.3665 55.3893 18.2219 179.3354 100 E 3.8013 8.0889 116.8519 59.6420 29.4404 179.9356 101 S 3.9001 7.9134 112.5535 60.7750 62.9531 175.2186 102 S 4.3619 7.8732 115.1612 57.7322 63.0744 173.9976 103 G 3.7700 7.8772 108.4666 46.8582 0.0000 173.4231 104 L 4.6460 8.0611 118.2619 52.4651 45.3039 176.6410 105 V 4.1307 8.0972 120.6434 61.3967 32.8920 174.7181 106 L 4.6563 8.5748 131.2045 55.0550 43.5591 175.3834 107 V 4.6929 9.0836 127.5601 61.7428 33.0392 174.3211 108 T 5.0793 8.7615 121.9573 60.8152 71.1445 173.7254 109 Q 4.3485 8.7513 124.1159 55.8552 30.4445 175.6041 110 D 4.4163 8.1027 118.3835 54.6605 41.9181 176.7236 111 R 3.9376 8.6134 126.7689 59.1011 29.9488 178.6071 112 E 3.9021 8.2085 118.4342 59.3437 29.9441 178.5653 113 L 4.1417 8.0964 118.4988 57.6790 41.5025 179.1314 114 L 3.9510 7.8213 117.7465 58.0497 41.7264 179.3923 115 A 4.2188 7.7535 118.4931 53.8156 18.2883 178.2589 116 K 4.4771 7.4289 114.8105 56.2109 32.8831 175.9453 117 T 4.6551 7.5408 116.0832 61.2187 71.0141 173.4492 118 K 3.9453 8.8697 127.0845 58.1688 32.1932 177.4452 119 G 3.8639 9.0115 111.3856 45.4409 0.0000 172.9204 120 A 4.5721 7.6791 121.1236 51.7655 19.2571 177.3381 121 I 4.7823 8.7461 113.5639 59.2613 42.2864 174.2988 122 D 5.7599 8.1871 121.9125 51.6530 41.9624 177.2806 123 V 3.5308 8.1035 115.5725 65.9435 31.3560 177.5506 124 E 3.8736 8.1778 118.7257 59.7525 29.4618 178.6538 125 T 3.7896 8.1699 115.3526 66.7342 68.5136 175.9967 126 L 3.7076 7.6597 121.4538 58.4936 41.8989 179.2823 127 L 3.9467 7.8698 118.5643 57.9189 41.7280 179.9253 128 V 3.7183 7.6719 111.6978 63.9932 31.1612 179.0531 129 R 3.9312 7.8062 117.4981 59.3003 30.4315 178.6917 130 L 3.9330 8.0939 118.5696 57.4936 41.2398 179.5839 131 A 4.0218 7.6930 120.1208 54.9011 18.5072 179.1068 132 A 4.1365 7.7037 116.7538 53.8778 18.4501 177.5732 133 Q 4.2066 7.6417 120.9414 55.8602 29.4042 175.3383 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 A 8.26 4.30 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 3 V 8.37 3.73 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 0.87 0.00 0.00 0.98 0.00 0.00 4 E 10.27 4.45 0.00 1.86 1.12 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 2.02 2.17 0.00 5 Y 7.92 5.25 0.00 2.92 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 6 L 8.84 4.97 0.00 1.82 1.60 1.07 0.86 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 7 V 9.30 4.75 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 0.63 0.00 0.00 0.94 0.00 0.00 8 D 8.18 4.37 0.00 1.58 1.54 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 9 A 8.48 3.94 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 10 S 7.95 3.95 0.00 3.99 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 11 A 8.18 4.04 1.31 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 0.00 0.00 0.00 12 L 8.31 3.70 0.00 1.61 1.95 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.32 3.85 0.00 3.19 3.05 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 14 A 7.78 4.13 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 L 7.85 4.34 0.00 1.95 1.54 0.56 0.37 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 16 A 7.98 4.14 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 17 A 7.46 4.26 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 18 H 8.93 5.10 0.00 3.48 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.51 3.21 0.00 2.87 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 20 D 8.26 4.16 0.00 2.70 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 21 K 7.96 4.12 0.00 1.97 1.92 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.41 7.81 22 W 6.89 5.18 0.00 3.46 3.21 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 23 I 6.45 2.96 1.39 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 -0.28 0.00 0.00 24 K 7.83 3.78 0.00 1.58 1.64 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 1.34 7.81 25 H 8.88 4.85 0.00 3.34 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.93 3.90 0.00 1.99 2.48 0.00 2.76 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 27 E 8.14 4.27 0.00 2.13 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 2.30 2.25 0.00 28 K 8.61 4.48 0.00 1.99 2.02 0.00 1.81 0.00 0.00 2.01 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.47 7.81 29 L 7.85 5.41 0.00 1.90 1.81 1.04 0.32 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 30 A 8.86 5.12 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 31 I 8.97 5.07 1.83 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 1.44 0.91 0.51 0.00 0.00 32 L 8.39 4.85 0.00 1.47 1.50 0.18 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.82 4.19 0.00 3.43 3.50 0.00 5.63 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 34 L 8.25 4.10 0.00 1.69 1.62 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.76 3.99 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 1.20 0.00 0.00 36 I 7.52 3.62 1.61 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 1.47 0.69 0.63 0.00 0.00 37 Y 7.84 4.07 0.00 3.13 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 38 E 8.68 3.96 0.00 2.14 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 2.27 2.19 0.00 39 A 8.49 4.26 1.53 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 0.00 0.00 40 G 8.17 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 41 N 8.50 4.52 0.00 2.95 2.90 0.00 0.00 7.13 7.38 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 42 A 8.07 4.03 1.19 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 0.00 0.00 0.00 43 L 8.38 4.18 0.00 2.09 2.05 1.15 0.99 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 44 W 8.36 4.20 0.00 3.50 3.39 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 45 K 8.36 3.52 0.00 1.97 1.71 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.88 7.81 46 E 7.71 3.90 0.00 2.17 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 0.00 2.40 2.58 0.00 47 A 7.61 4.15 1.18 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 0.00 0.00 48 R 7.57 3.60 0.00 1.11 1.56 0.00 3.05 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.67 0.00 49 L 7.47 4.66 0.00 1.54 1.61 0.85 0.73 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 50 G 8.74 3.55 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 0.00 0.00 0.00 51 R 7.94 4.40 0.00 1.76 1.88 0.00 3.45 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 52 V 8.79 3.80 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 0.84 0.00 0.00 0.96 0.00 0.00 53 D 8.14 4.16 0.00 2.75 2.47 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 54 W 9.21 3.75 0.00 3.56 3.49 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 55 A 6.62 3.34 0.27 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 56 A 7.51 3.86 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 57 A 8.07 4.02 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 0.00 0.00 58 S 8.34 4.15 0.00 4.20 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 59 R 7.97 3.94 0.00 1.91 1.88 0.00 3.03 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 60 H 7.86 4.31 0.00 3.27 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.12 4.01 0.00 1.82 1.87 1.01 0.74 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 62 K 8.02 4.11 0.00 1.92 2.03 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 63 K 7.52 4.26 0.00 1.79 1.91 0.00 1.63 0.00 0.00 1.24 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.30 7.81 64 V 7.76 3.97 2.28 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 1.62 0.00 0.00 1.13 0.00 0.00 *66 S 8.00 4.57 0.00 4.14 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 0.00 67 S 8.29 4.53 0.00 4.24 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 68 F 8.25 4.89 0.00 2.90 3.04 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 69 K 8.48 4.55 0.00 1.79 1.77 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.44 7.81 70 V 8.15 4.81 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 0.50 0.00 0.00 0.95 0.00 0.00 71 L 8.54 4.47 0.00 1.60 1.61 0.95 0.81 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 72 E 8.57 4.26 0.00 2.00 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 2.36 2.36 0.00 73 D 8.48 4.52 0.00 2.71 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 74 P 0.00 4.55 0.00 1.97 2.14 0.00 3.70 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 1.99 2.15 0.00 75 P 0.00 4.42 0.00 2.06 1.95 0.00 3.50 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 2.14 2.09 0.00 76 L 8.85 4.11 0.00 1.73 1.72 0.81 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.97 4.22 0.00 2.64 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 78 E 8.24 3.90 0.00 1.16 1.12 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 2.12 2.18 0.00 79 V 6.57 3.52 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 -0.26 0.00 0.00 0.58 0.00 0.00 *81 R 8.20 4.21 0.00 1.89 2.10 0.00 3.24 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 1.60 1.63 0.00 82 V 7.66 3.63 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 1.06 0.00 0.00 1.08 0.00 0.00 83 A 8.44 3.93 1.37 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 0.00 0.00 0.00 84 V 7.68 3.52 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 1.06 0.00 0.00 0.94 0.00 0.00 85 E 7.95 3.98 0.00 2.13 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 2.35 2.40 0.00 86 R 8.43 4.24 0.00 1.90 1.95 0.00 3.33 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 87 G 7.50 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 88 L 7.99 4.84 0.00 1.58 1.56 0.94 0.85 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 89 T 8.09 4.17 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 1.25 0.00 0.00 90 F 8.40 3.98 0.00 3.00 2.71 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 0.00 0.00 0.00 91 Y 7.62 4.48 0.00 3.17 3.19 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 0.00 92 D 8.70 4.68 0.00 2.78 2.79 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 93 A 8.13 4.10 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 94 S 7.62 3.82 0.00 3.88 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 95 Y 7.57 4.05 0.00 3.34 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 8.13 4.03 1.42 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 0.00 0.00 97 Y 8.46 3.82 0.00 3.05 3.09 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 98 V 8.13 3.44 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 0.96 0.00 0.00 1.03 0.00 0.00 99 A 8.09 3.97 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 0.00 100 E 8.09 3.80 0.00 2.08 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 2.29 2.28 0.00 101 S 7.91 3.90 0.00 3.57 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 0.00 102 S 7.87 4.36 0.00 3.98 3.90 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 0.00 103 G 7.88 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 0.00 0.00 0.00 104 L 8.06 4.65 0.00 1.45 1.63 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.10 4.13 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 1.19 0.00 0.00 0.83 0.00 0.00 106 L 8.57 4.66 0.00 1.81 1.56 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.08 4.69 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 0.76 0.00 0.00 0.96 0.00 0.00 108 T 8.76 5.08 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 1.17 0.00 0.00 109 Q 8.75 4.35 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 110 D 8.10 4.42 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 3.94 0.00 1.93 1.96 0.00 3.30 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 112 E 8.21 3.90 0.00 1.94 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 2.33 2.40 0.00 113 L 8.10 4.14 0.00 1.71 1.69 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.82 3.95 0.00 1.81 1.74 0.91 0.76 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 0.00 115 A 7.75 4.22 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 0.00 116 K 7.43 4.48 0.00 1.72 1.81 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.51 7.81 117 T 7.54 4.66 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 1.28 0.00 0.00 118 K 8.87 3.95 0.00 1.74 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.40 7.81 119 G 9.01 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 0.00 0.00 0.00 120 A 7.68 4.57 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 0.00 121 I 8.75 4.78 1.88 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 1.35 0.92 0.99 0.00 0.00 122 D 8.19 5.76 0.00 2.80 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 0.00 123 V 8.10 3.53 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 1.00 0.00 0.00 0.91 0.00 0.00 124 E 8.18 3.87 0.00 2.07 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 2.37 2.41 0.00 125 T 8.17 3.79 4.35 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 1.22 0.00 0.00 126 L 7.66 3.71 0.00 1.50 1.65 -0.29 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.87 3.95 0.00 1.90 1.67 0.86 1.08 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 0.00 128 V 7.67 3.72 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 0.98 0.00 0.00 1.02 0.00 0.00 129 R 7.81 3.93 0.00 1.93 2.03 0.00 3.30 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 130 L 8.09 3.93 0.00 1.74 1.52 0.85 1.09 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 0.00 131 A 7.69 4.02 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 0.00 132 A 7.70 4.14 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 0.00 133 Q 7.64 4.21 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.