NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2635 8.3149 121.7901 55.7078 34.1242 176.5784 5 P 4.1903 0.0000 0.0000 62.0764 31.7586 174.1999 6 K 4.5761 8.2382 122.3967 54.8235 34.5045 177.0415 7 I 4.2893 8.0889 123.3566 61.1668 40.0522 175.0658 *9 I 4.2705 8.3098 120.2193 60.2784 39.3898 175.4994 10 S 5.2492 8.3636 121.1655 57.6826 63.9599 175.1688 11 S 4.1097 8.8678 118.3536 62.0106 62.4932 176.9717 12 L 3.9550 7.8440 122.1725 58.3555 41.8904 178.6092 13 D 4.6488 8.6195 119.9925 56.5924 40.7096 178.5456 14 A 4.0252 8.4095 121.8800 55.0497 18.3801 179.3173 15 E 3.8727 8.4452 117.8955 59.6180 29.7932 179.2763 16 R 3.9101 8.3929 118.5058 59.2376 30.0473 179.1605 17 L 4.1752 8.4985 119.2541 57.7478 41.7498 179.0031 18 E 3.9907 8.3986 119.3402 59.4387 29.3012 179.1019 19 I 3.9854 7.5580 120.0713 63.6251 37.5297 177.5922 20 L 4.1200 8.3313 121.6697 58.5260 41.7839 179.2439 21 L 4.2293 8.4629 119.1517 57.3392 41.0192 178.3993 22 E 4.4285 8.1632 115.8572 57.1880 29.6000 177.5729 23 T 4.5566 7.6549 109.1504 61.3890 69.3815 174.1758 24 L 4.8641 7.3844 121.9619 52.7402 44.9604 176.5022 25 S 4.4476 8.3657 116.1561 58.0252 63.7621 175.2615 26 Q 3.9811 8.5421 119.3764 58.1877 28.3792 176.9550 27 N 4.7047 7.6959 114.3242 52.9065 39.1807 175.7620 28 A 4.3529 7.5469 121.5256 55.1742 18.6792 178.4909 29 F 5.0437 7.4164 109.2831 54.4210 41.0205 172.0908 30 P 4.2447 0.0000 0.0000 64.2661 31.7564 176.8444 31 G 3.9114 8.8147 109.3224 45.5315 0.0000 174.8129 32 R 3.1802 7.1187 120.1842 59.5766 29.7517 177.9624 33 D 4.3139 7.8381 117.7286 57.5468 40.8388 178.5467 34 D 4.3285 7.9170 118.8920 57.1660 40.8698 178.4007 35 L 4.0332 8.3894 121.3885 58.0670 42.0548 178.7488 36 E 3.9704 8.6136 118.7937 59.4517 29.1846 179.2406 37 A 3.9924 8.2269 120.8358 55.0556 18.2150 179.2492 38 E 3.9117 8.0473 116.7224 59.5776 30.1711 178.8356 39 L 4.1464 8.2407 118.8745 57.6450 41.4366 179.2727 40 A 4.1065 8.3538 120.7398 54.1447 18.3520 178.7851 41 R 4.4274 7.3275 111.1543 55.1492 30.3576 176.3495 42 A 4.2022 7.0163 121.1355 52.3311 19.3876 177.8861 43 E 4.1927 9.0455 122.5378 55.3661 29.5559 175.8133 44 V 4.2927 8.1852 127.4670 62.3038 32.5587 175.2656 45 V 4.6312 8.8317 120.5295 58.9336 36.6765 174.5968 46 D 4.6134 8.5892 121.3324 53.7269 41.6705 175.3835 47 P 4.2009 0.0000 0.0000 65.6760 31.3479 177.9327 48 E 3.9690 8.5308 119.1077 58.4105 29.5350 176.9657 49 E 4.3030 8.1460 116.6373 56.6093 29.9761 175.9966 50 I 4.1546 7.3185 121.4177 59.3137 38.0799 174.2814 51 P 4.4307 0.0000 0.0000 61.8030 31.7461 175.4667 52 P 4.4729 0.0000 0.0000 64.5231 31.6219 177.0145 53 T 4.1985 7.7508 109.0064 62.1435 69.5527 173.7232 54 V 4.6719 7.3603 123.2762 61.1316 33.2160 175.4873 55 V 3.5314 9.0523 129.0774 64.8906 32.3135 173.9735 56 T 4.2266 8.9466 116.8369 62.1378 70.8180 174.9830 *58 N 4.7090 8.9823 115.0217 52.1150 41.7394 175.2487 59 S 4.8376 8.1619 114.6032 57.7834 65.6924 173.0243 60 T 4.8871 9.0242 118.7146 62.1500 70.2916 173.6761 61 V 4.4674 8.8903 127.2493 61.0183 33.5120 174.5788 62 R 4.5212 8.6448 129.1556 54.9096 31.7753 174.8503 63 F 5.0156 8.7922 125.0991 55.5186 42.3254 174.4055 64 R 4.9931 8.6620 122.1221 54.1496 32.8157 174.9664 65 V 4.0994 8.7536 127.2854 62.8693 32.1563 175.6512 66 E 4.0249 8.9984 127.5809 57.0641 30.2157 176.7903 67 S 3.7144 8.6063 116.6302 58.9544 60.5975 171.9211 68 S 4.4756 7.8078 110.3524 57.8540 64.8565 173.6046 69 A 4.5196 8.3090 125.0531 51.7559 19.7103 176.9286 70 E 4.2096 8.2914 119.3613 56.3845 30.5213 175.6963 71 E 5.6714 8.9466 124.9614 54.0909 33.8538 175.4360 72 F 4.6403 7.6233 115.0972 56.5583 42.1130 172.2701 *74 L 4.7166 8.4781 116.5570 55.5053 43.6009 175.8967 75 T 4.9498 8.6522 119.9158 61.7463 70.7271 173.4194 76 L 4.6782 8.5855 129.7646 54.7824 42.7838 176.1955 77 V 4.5679 8.6302 118.7633 59.3492 36.0844 174.9502 78 Y 4.4521 8.3879 118.8728 57.1939 38.2280 175.3680 79 P 4.2679 0.0000 0.0000 65.9566 31.5170 179.0398 80 K 4.1025 8.0617 115.3615 58.6054 32.1581 177.2397 81 D 4.7946 8.0578 117.5045 53.8885 41.0508 177.1634 82 V 3.7634 7.2388 112.8337 61.3305 32.0121 175.7308 83 D 4.8470 8.2532 122.5377 52.4821 41.4781 176.2365 84 T 4.6629 8.2927 107.4173 61.5740 69.0508 174.0800 85 S 4.5449 8.4171 112.8493 58.5670 63.7415 174.5001 86 G 3.9403 8.6920 107.8204 45.6170 0.0000 173.9362 87 E 4.5797 8.7623 117.6388 56.1221 31.5154 175.8415 88 K 5.0907 8.6115 119.3488 54.6559 35.1884 175.5867 89 I 4.5645 8.5857 122.2987 59.2946 41.6986 174.4472 90 S 4.6332 8.5902 123.6705 57.8971 63.4670 174.7659 91 I 3.6136 8.4621 125.7314 63.5681 37.8418 177.4290 92 L 3.5110 7.5601 118.0313 55.1582 42.1033 176.8553 93 A 4.3117 7.5807 122.6335 50.2931 19.4080 175.1328 94 P 4.3314 0.0000 0.0000 64.4191 32.1394 175.9229 95 V 3.6670 8.5705 126.6897 63.8668 31.0853 173.4282 96 G 3.8504 7.9199 105.5564 48.2417 0.0000 175.3468 97 S 4.6622 8.6178 117.1458 60.1588 62.9368 175.7969 98 A 4.2879 7.7033 122.6948 53.8513 18.7928 179.0946 99 L 4.2052 7.8015 118.2773 56.4319 41.6049 177.4428 100 L 4.1067 7.4937 120.2053 56.7692 42.1703 177.1134 101 G 3.9833 8.9582 114.8571 45.3788 0.0000 173.4203 102 L 4.3034 7.7847 119.6311 54.6648 42.5285 175.6169 103 A 5.0856 9.1061 122.0781 49.8091 22.1899 175.4284 104 Q 3.9590 8.5596 120.7521 58.2476 29.2619 177.8172 105 G 4.0266 9.1290 114.0547 45.1731 0.0000 173.5408 106 D 4.6004 8.1053 120.0339 54.2884 42.0960 174.9125 107 E 5.2599 8.7076 123.0000 54.8958 31.3641 174.8002 108 I 4.9442 8.7843 118.6997 59.6680 41.7971 173.4698 109 E 5.6403 8.9628 120.7511 53.6768 33.5909 174.7095 110 W 5.1760 7.7933 117.6171 54.8362 31.8162 171.7036 111 P 4.8686 0.0000 0.0000 62.5473 31.7616 176.5254 112 K 4.3665 8.8132 122.9601 54.7918 33.6572 175.0202 113 P 4.4183 0.0000 0.0000 64.3890 31.6280 176.8577 114 G 3.8831 8.4295 111.7019 43.9939 0.0000 173.1215 115 G 3.9636 8.1808 106.5977 45.1588 0.0000 174.1172 116 G 3.8631 9.1918 106.1929 44.3100 0.0000 171.9838 117 V 4.5364 7.6967 117.3793 60.7127 34.1762 174.4822 118 L 4.1509 8.9710 130.7751 54.4553 43.3518 175.2442 119 R 4.8466 8.3889 125.2668 54.6492 32.3618 175.6215 120 V 4.9747 8.6910 116.4406 59.6819 36.5985 174.6775 121 R 5.2245 8.7585 120.5657 54.3043 34.1857 175.2050 122 I 3.9561 8.7975 124.0168 61.6627 37.4821 177.0261 123 V 4.3727 8.5924 120.1958 62.0653 33.4389 175.7308 124 E 4.6854 7.5054 119.0942 54.9612 32.9774 173.8882 125 V 4.9750 8.2974 124.5653 61.2944 34.4977 174.6360 126 T 4.7495 8.8609 116.8384 60.0478 72.5734 173.5022 127 Y 4.3619 8.5990 123.0318 57.9410 38.9043 175.1006 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 4 K 8.31 4.26 0.00 1.74 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 5 P 0.00 4.19 0.00 2.17 1.98 0.00 3.73 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 2.04 2.17 0.00 6 K 8.24 4.58 0.00 1.64 1.73 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.43 7.81 7 I 8.09 4.29 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 1.24 1.05 0.97 0.00 0.00 *9 I 8.31 4.27 1.88 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 1.42 1.57 0.93 0.00 0.00 10 S 8.36 5.25 0.00 4.03 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 11 S 8.87 4.11 0.00 3.88 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 12 L 7.84 3.96 0.00 1.76 1.68 0.95 1.27 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 13 D 8.62 4.65 0.00 2.80 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 14 A 8.41 4.03 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 15 E 8.45 3.87 0.00 2.12 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 0.00 2.31 2.35 0.00 16 R 8.39 3.91 0.00 1.94 1.73 0.00 3.03 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 17 L 8.50 4.18 0.00 1.85 1.79 0.94 0.73 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 18 E 8.40 3.99 0.00 2.11 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 0.00 2.33 2.39 0.00 19 I 7.56 3.99 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 1.58 1.32 0.90 0.00 0.00 20 L 8.33 4.12 0.00 1.82 1.92 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.46 4.23 0.00 1.78 1.82 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.16 4.43 0.00 2.25 2.21 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 2.58 2.32 0.00 23 T 7.65 4.56 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 1.31 0.00 0.00 24 L 7.38 4.86 0.00 1.84 1.72 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.37 4.45 0.00 4.01 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 Q 8.54 3.98 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.19 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 27 N 7.70 4.70 0.00 2.88 2.72 0.00 0.00 6.89 8.03 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 28 A 7.55 4.35 1.55 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 29 F 7.42 5.04 0.00 3.49 3.07 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 30 P 0.00 4.24 0.00 2.22 2.10 0.00 3.95 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 2.06 2.00 0.00 31 G 8.81 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 32 R 7.12 3.18 0.00 0.67 1.42 0.00 3.07 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.38 0.00 33 D 7.84 4.31 0.00 2.66 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 34 D 7.92 4.33 0.00 2.83 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 35 L 8.39 4.03 0.00 1.85 1.95 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.61 3.97 0.00 2.19 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 2.38 2.57 0.00 37 A 8.23 3.99 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 38 E 8.05 3.91 0.00 2.12 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 0.00 2.34 2.37 0.00 39 L 8.24 4.15 0.00 1.91 1.73 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.35 4.11 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 41 R 7.33 4.43 0.00 1.95 2.03 0.00 3.08 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 42 A 7.02 4.20 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 43 E 9.05 4.19 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 2.30 2.25 0.00 44 V 8.19 4.29 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 0.85 0.00 0.00 0.99 0.00 0.00 45 V 8.83 4.63 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 0.79 0.00 0.00 0.97 0.00 0.00 46 D 8.59 4.61 0.00 2.66 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 47 P 0.00 4.20 0.00 2.16 2.23 0.00 3.73 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 2.03 1.92 0.00 48 E 8.53 3.97 0.00 1.91 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 2.30 2.41 0.00 49 E 8.15 4.30 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 2.29 2.40 0.00 50 I 7.32 4.15 1.93 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 1.28 0.47 0.89 0.00 0.00 51 P 0.00 4.43 0.00 2.16 1.96 0.00 3.58 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 52 P 0.00 4.47 0.00 2.17 2.16 0.00 3.74 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 1.97 1.94 0.00 53 T 7.75 4.20 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 1.23 0.00 0.00 54 V 7.36 4.67 2.21 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 0.74 0.00 0.00 0.93 0.00 0.00 55 V 9.05 3.53 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 1.00 0.00 0.00 0.97 0.00 0.00 56 T 8.95 4.23 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 1.25 0.00 0.00 *58 N 8.98 4.71 0.00 2.87 2.83 0.00 0.00 6.81 7.57 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 59 S 8.16 4.84 0.00 4.10 4.12 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 60 T 9.02 4.89 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 1.21 0.00 0.00 61 V 8.89 4.47 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 -0.04 0.00 0.00 0.92 0.00 0.00 62 R 8.64 4.52 0.00 1.79 1.61 0.00 3.29 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 63 F 8.79 5.02 0.00 1.60 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 64 R 8.66 4.99 0.00 1.77 1.70 0.00 3.08 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 65 V 8.75 4.10 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 0.81 0.00 0.00 1.03 0.00 0.00 66 E 9.00 4.02 0.00 1.84 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 0.00 2.33 2.41 0.00 67 S 8.61 3.71 0.00 3.98 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 68 S 7.81 4.48 0.00 3.78 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 69 A 8.31 4.52 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 70 E 8.29 4.21 0.00 2.16 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 2.40 2.49 0.00 71 E 8.95 5.67 0.00 1.85 1.79 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 2.25 2.35 0.00 72 F 7.62 4.64 0.00 3.24 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 *74 L 8.48 4.72 0.00 2.02 1.79 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.65 4.95 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 1.23 0.00 0.00 76 L 8.59 4.68 0.00 1.64 1.55 0.95 0.77 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 77 V 8.63 4.57 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 0.67 0.00 0.00 1.00 0.00 0.00 78 Y 8.39 4.45 0.00 3.02 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 79 P 0.00 4.27 0.00 2.18 2.08 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 80 K 8.06 4.10 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 81 D 8.06 4.79 0.00 2.81 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 82 V 7.24 3.76 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 0.67 0.00 0.00 0.97 0.00 0.00 83 D 8.25 4.85 0.00 2.77 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 84 T 8.29 4.66 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 1.20 0.00 0.00 85 S 8.42 4.54 0.00 3.94 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 86 G 8.69 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 87 E 8.76 4.58 0.00 2.09 2.22 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 2.57 2.28 0.00 88 K 8.61 5.09 0.00 1.82 1.72 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.34 7.81 89 I 8.59 4.56 1.80 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.59 0.93 0.00 0.00 90 S 8.59 4.63 0.00 3.88 3.61 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 91 I 8.46 3.61 1.62 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 1.16 0.94 0.73 0.00 0.00 92 L 7.56 3.51 0.00 1.39 1.00 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.58 4.31 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 94 P 0.00 4.33 0.00 1.95 1.98 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 95 V 8.57 3.67 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 0.29 0.00 0.00 0.35 0.00 0.00 96 G 7.92 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 97 S 8.62 4.66 0.00 4.11 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 0.00 98 A 7.70 4.29 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 99 L 7.80 4.21 0.00 1.86 1.81 1.06 0.75 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 0.00 100 L 7.49 4.11 0.00 1.56 1.61 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.96 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 0.00 0.00 0.00 102 L 7.78 4.30 0.00 1.90 1.67 1.07 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.11 5.09 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 0.00 104 Q 8.56 3.96 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 105 G 9.13 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 0.00 106 D 8.11 4.60 0.00 2.73 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 0.00 107 E 8.71 5.26 0.00 1.99 1.85 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 2.24 2.40 0.00 108 I 8.78 4.94 2.09 0.00 0.00 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 1.51 0.81 1.05 0.00 0.00 109 E 8.96 5.64 0.00 1.85 1.83 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 2.27 2.11 0.00 110 W 7.79 5.18 0.00 3.28 3.24 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 0.00 111 P 0.00 4.87 0.00 2.04 2.07 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 112 K 8.81 4.37 0.00 1.87 1.69 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.30 7.81 113 P 0.00 4.42 0.00 2.03 2.01 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 2.03 2.11 0.00 114 G 8.43 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 0.00 115 G 8.18 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 0.00 0.00 0.00 116 G 9.19 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 0.00 117 V 7.70 4.54 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 0.81 0.00 0.00 0.93 0.00 0.00 118 L 8.97 4.15 0.00 1.42 0.92 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.39 4.85 0.00 1.72 1.90 0.00 3.08 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 120 V 8.69 4.97 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 0.56 0.00 0.00 0.82 0.00 0.00 121 R 8.76 5.22 0.00 1.71 1.77 0.00 3.12 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 122 I 8.80 3.96 1.94 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 0.90 0.68 0.74 0.00 0.00 123 V 8.59 4.37 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 0.62 0.00 0.00 0.85 0.00 0.00 124 E 7.51 4.69 0.00 1.94 1.64 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 2.24 2.25 0.00 125 V 8.30 4.98 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 0.96 0.00 0.00 0.86 0.00 0.00 126 T 8.86 4.75 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 1.20 0.00 0.00 127 Y 8.60 4.36 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.