NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.6140 8.3149 120.0859 56.4162 33.6236 174.6819 6 I 4.5177 9.0456 125.3664 58.5167 41.7082 169.1772 7 V 4.9174 9.0147 124.8081 60.5322 34.0320 173.7412 8 L 4.9938 8.6501 128.1612 53.2492 44.0505 175.8686 9 K 4.5508 8.7993 125.0351 54.7626 32.5772 176.4309 10 S 4.6644 8.4436 120.3744 58.2308 63.0674 174.8125 11 S 4.2232 8.6721 114.8642 60.0525 62.4374 173.5584 12 D 4.8953 7.3153 119.6781 53.9604 39.1068 177.2678 13 G 3.9576 8.2486 103.9093 47.4735 0.0000 171.9042 14 E 4.7440 7.8486 121.6721 55.0935 32.4449 173.9542 15 S 4.5003 8.5332 119.2763 59.0107 64.2008 173.6725 16 F 4.6008 8.6970 120.3134 55.5563 42.4203 173.7921 17 E 4.3847 8.9514 125.9022 56.0837 30.0173 176.0668 18 V 4.6701 8.5528 119.4421 59.5786 36.6737 175.6632 19 E 4.4195 8.6395 122.4574 55.5776 29.7485 176.7853 20 E 3.9890 8.1524 119.4900 59.4636 29.2862 177.3191 21 A 4.2813 7.5605 120.6107 53.0234 18.8331 178.7889 22 V 3.7395 7.5732 117.8342 65.3879 31.7617 177.1056 23 A 4.3266 7.5073 117.7796 53.1810 17.3068 177.6920 24 L 4.4000 7.6448 115.2398 55.1621 42.4286 178.5149 25 E 3.9877 7.6879 117.1184 58.5799 29.6444 176.8264 26 S 4.4812 7.4379 112.0638 56.7762 61.4916 174.2412 27 Q 4.2433 8.5994 124.3132 57.3624 27.9537 178.3062 28 T 3.9243 7.8274 116.7922 64.7043 69.4102 176.7560 29 I 4.0846 7.9476 121.6028 62.4124 38.5329 178.0538 30 A 3.9283 8.0324 123.3317 55.7028 18.2940 178.6455 31 H 4.4747 7.6745 108.7031 56.8788 28.2932 175.5487 32 M 4.8392 7.8881 118.4545 55.3716 32.5583 176.7574 33 V 4.1985 7.5472 108.6856 61.5258 31.8928 176.8860 34 E 4.1557 7.4542 120.3147 58.7633 30.0006 177.6301 35 D 4.5893 7.7457 118.9771 52.7151 39.3492 175.4252 36 D 4.7612 7.8439 120.1850 54.3818 38.5715 175.7640 37 C 4.4977 8.5080 121.7845 60.0075 28.4938 176.0644 38 V 3.8080 7.6286 120.5535 64.6644 31.1840 177.2509 39 D 4.3569 7.4587 117.8537 58.4130 40.7647 177.2771 40 N 4.6888 8.1046 113.6445 52.8016 38.7093 173.6104 41 G 4.0632 7.7405 110.4333 44.7312 0.0000 174.5029 42 V 3.7861 8.1491 122.0454 61.0349 32.3533 173.3817 43 P 4.9830 0.0000 0.0000 61.6383 32.4304 176.8641 44 L 4.8334 8.5772 124.0799 53.3800 40.7236 174.8898 45 P 4.4424 0.0000 0.0000 63.9668 31.2653 176.5348 46 N 4.7204 8.0925 113.9629 52.4782 39.4268 174.2017 47 V 4.2040 7.4071 118.8258 60.4750 33.6824 174.9740 48 T 4.1757 8.3465 121.3585 62.5074 69.3149 174.4142 49 S 4.2798 8.6973 120.8412 60.6121 62.3453 176.3313 50 K 4.0264 8.0474 121.4056 59.3878 32.2473 178.5341 51 I 3.8904 7.6164 119.5374 64.4040 37.4828 177.6626 52 L 3.8387 7.9746 120.8817 58.2350 41.5178 179.0462 53 A 3.9959 7.8361 120.0901 55.2689 17.9545 179.8978 54 K 4.2482 8.1969 116.7387 59.2181 32.0121 180.0051 55 V 3.7722 7.6783 118.5514 66.1686 31.6667 177.9666 56 I 3.7700 7.6957 119.2866 64.3428 36.5488 178.0104 57 E 4.1386 8.2049 120.0693 59.2472 29.3893 178.3848 58 Y 4.0258 7.6879 118.8849 60.8466 38.8962 177.3552 59 C 3.8433 8.1476 117.5984 62.6389 28.3609 175.7245 60 K 3.7342 8.3660 121.5468 59.9984 31.4519 178.5244 61 R 3.6518 7.1863 116.7158 59.4799 29.6239 177.8637 62 H 4.0820 7.8966 116.1893 58.4383 28.8084 177.6331 63 V 3.5948 7.9837 120.5418 65.7224 31.3537 177.0186 64 E 4.4105 7.6005 116.5667 56.5915 28.7485 177.0164 65 A 4.4295 7.2999 118.7821 51.7839 19.8947 178.6535 66 A 4.0745 7.4131 118.7709 55.3698 19.2461 180.5092 67 A 4.2890 7.4509 119.8901 51.8016 17.4580 177.9973 *80 D 4.6162 8.6148 112.0484 54.9344 43.1049 177.3324 81 D 4.4555 8.0743 118.9130 57.1995 41.6768 177.0211 82 D 4.7168 7.9544 116.2923 54.7802 41.1346 178.2897 83 L 4.1063 7.6739 120.7409 57.7302 42.0150 178.9984 84 K 4.3283 7.6471 118.0928 58.8257 31.9543 179.0990 85 A 4.0398 7.4095 122.1368 54.7672 18.5970 179.2052 86 W 4.2525 8.2103 125.8902 60.6878 30.4483 177.9169 87 D 4.3689 8.9282 118.8391 57.5595 40.1655 178.5587 88 A 3.9952 7.6009 119.3103 55.3809 18.5142 178.8343 89 D 4.3314 7.9530 116.1376 57.1364 41.1053 178.2368 90 F 3.8912 8.0576 120.7135 60.9780 39.2946 176.3898 91 M 3.9760 7.3589 116.4576 55.9370 33.3158 177.2259 92 K 4.2075 7.2834 119.6901 56.5261 29.6346 174.8852 93 I 4.5436 6.9022 113.9485 57.8297 41.5081 175.8991 94 D 4.5719 8.0493 120.3499 52.5997 41.5737 177.0183 95 Q 3.3775 8.2816 118.0811 58.9975 28.4683 178.8249 96 A 3.9181 7.8385 121.0660 55.4922 18.2042 179.7843 97 T 3.8323 7.5316 113.6747 66.5905 68.7138 176.3985 98 L 3.7916 7.4469 122.2017 58.4206 41.9037 179.2635 99 F 4.5214 7.9322 117.3238 60.8511 38.8671 177.5845 100 E 4.1110 7.9986 117.5530 58.8452 29.0903 179.5608 101 L 4.0378 7.6583 119.1393 57.5921 41.8249 179.0872 102 I 3.6855 7.5059 119.6440 64.6128 37.0311 178.3665 103 L 4.0033 8.0384 119.3536 57.7615 41.2784 179.7108 104 A 4.0679 7.8009 120.4902 55.1716 18.6498 179.5010 105 A 3.9475 8.7109 119.5336 54.9137 18.1350 178.6455 106 N 4.5775 8.0181 113.7432 55.1770 39.4020 175.9299 107 Y 4.3969 7.6755 119.9068 61.2396 39.4711 175.6264 108 L 4.3524 8.2867 123.9415 53.6829 42.1305 177.7779 109 N 4.9416 8.3184 114.6651 53.6292 39.1891 176.8519 110 I 4.2715 7.8244 121.8922 59.5824 36.9937 176.9433 111 K 3.9566 8.3924 126.8147 59.2709 31.9549 177.7463 112 N 4.4534 8.2144 116.8124 55.3928 37.3174 176.7183 113 L 3.8572 7.8035 122.2985 57.2372 42.4735 178.0692 114 L 3.8827 8.1830 120.5959 58.3616 41.6194 178.3741 115 D 4.4055 8.1598 118.8155 57.8186 40.9151 178.7610 116 L 4.0578 7.6153 120.5109 58.2248 42.0794 178.8933 117 T 3.8841 8.0161 109.7715 65.0013 68.4104 176.1771 118 C 4.1521 8.0884 119.5720 62.7975 28.2156 175.6983 119 Q 3.9795 7.7751 119.7545 59.2305 28.2400 178.6914 120 T 3.8600 7.5839 116.0715 66.7208 68.4725 176.5963 121 V 3.8916 7.6373 119.7508 65.5156 31.5243 177.6669 122 A 4.0056 8.2255 120.7647 54.4979 18.4564 178.5682 123 D 4.5794 8.3252 115.6642 56.2789 41.0234 177.9697 124 M 4.2658 7.5193 119.1347 57.7699 32.2783 177.9152 125 I 4.0910 7.7903 118.9892 61.9494 37.5690 176.3601 126 K 4.1678 7.4405 119.1754 57.3143 32.0776 175.1978 127 G 4.0071 7.9791 113.6525 45.3836 0.0000 173.5012 128 K 4.3357 7.3053 122.2120 54.9754 33.6076 176.8092 129 T 4.6047 8.2888 111.4961 59.6808 72.1149 173.9029 130 P 4.1942 0.0000 0.0000 66.2164 31.0607 178.2789 131 E 3.9966 8.1589 117.1607 58.6970 29.5839 178.0172 132 E 4.2142 7.9800 117.9735 58.6443 29.7411 178.5681 133 I 3.8256 8.2288 121.0210 64.0365 37.2156 178.2027 134 R 3.9722 8.5060 119.0081 60.0531 29.8105 179.1410 135 T 3.9049 7.6309 114.1168 66.6625 68.2628 176.0930 136 T 4.3069 7.2754 108.7041 61.7411 69.2493 174.9979 137 F 4.8183 7.3974 116.6299 56.5249 41.9220 173.2162 138 N 4.1621 7.9090 117.3765 54.2071 36.6306 173.7899 139 I 4.3505 8.2853 119.1687 59.5697 39.3655 175.8771 140 K 4.2144 8.3172 126.0242 54.4884 32.9100 175.2492 141 N 4.2190 8.7433 125.2606 54.2393 38.2912 173.5382 142 D 4.8724 8.0360 126.2877 52.9540 40.1128 176.2003 143 F 4.8983 8.1430 119.4500 57.5884 39.8868 175.9621 144 T 4.0704 8.6445 116.6311 60.9674 68.9781 173.6386 145 P 4.4237 0.0000 0.0000 64.1562 31.5168 177.9142 146 E 4.1718 8.0895 118.7141 59.0859 29.7671 178.3449 147 E 3.8634 7.4627 118.5262 59.5500 29.5414 178.8640 148 E 3.2265 8.0071 118.6223 59.0205 29.2527 178.0998 149 E 3.9934 7.6787 117.8804 58.1281 30.2013 177.2424 150 E 3.2525 8.7181 120.4460 59.5081 29.3688 178.5177 151 V 3.5909 8.0692 119.1724 65.0454 31.4114 177.8745 152 R 3.5728 7.6220 118.4778 60.3182 30.3603 178.1131 153 R 2.5829 8.7813 119.1555 57.2735 29.7022 178.2922 154 E 3.7899 7.9848 118.4280 60.3214 29.8692 179.7164 155 N 4.4867 8.6809 115.4531 55.4066 38.6018 176.5049 156 Q 4.4060 7.5970 117.9863 56.8116 30.2517 177.3542 157 W 4.6798 7.7140 117.7178 58.6786 29.8479 177.5436 158 A 3.9416 7.7301 119.7558 53.8813 18.6021 176.9298 159 F 5.1063 7.6981 112.8883 56.7707 41.3493 175.8355 160 E 4.1867 9.1384 123.5216 56.8659 28.8326 174.2778 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 5 K 8.31 4.61 0.00 1.67 1.96 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.05 4.52 1.89 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 1.12 1.34 0.93 0.00 0.00 7 V 9.01 4.92 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 1.39 0.00 0.00 0.96 0.00 0.00 8 L 8.65 4.99 0.00 1.66 1.58 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.80 4.55 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.44 4.66 0.00 4.04 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 11 S 8.67 4.22 0.00 4.00 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 12 D 7.32 4.90 0.00 2.80 2.68 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 13 G 8.25 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 14 E 7.85 4.74 0.00 2.04 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 0.00 2.34 2.52 0.00 15 S 8.53 4.50 0.00 3.74 3.83 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 16 F 8.70 4.60 0.00 3.14 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 17 E 8.95 4.38 0.00 1.97 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 2.42 0.00 18 V 8.55 4.67 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 0.75 0.00 0.00 1.05 0.00 0.00 19 E 8.64 4.42 0.00 1.93 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 0.00 2.30 2.35 0.00 20 E 8.15 3.99 0.00 2.07 1.84 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 2.37 2.43 0.00 21 A 7.56 4.28 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 22 V 7.57 3.74 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.51 4.33 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 24 L 7.64 4.40 0.00 1.71 1.69 0.91 0.95 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 25 E 7.69 3.99 0.00 2.12 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 0.00 2.33 2.36 0.00 26 S 7.44 4.48 0.00 3.82 3.75 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 27 Q 8.60 4.24 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.53 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 28 T 7.83 3.92 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 1.05 0.00 0.00 29 I 7.95 4.08 2.05 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 1.18 1.17 0.90 0.00 0.00 30 A 8.03 3.93 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 31 H 7.67 4.47 0.00 3.21 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.89 4.84 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 33 V 7.55 4.20 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 0.81 0.00 0.00 0.96 0.00 0.00 34 E 7.45 4.16 0.00 1.96 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 2.22 0.00 35 D 7.75 4.59 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.84 4.76 0.00 2.78 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 37 C 8.51 4.50 0.00 3.03 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 38 V 7.63 3.81 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 0.93 0.00 0.00 39 D 7.46 4.36 0.00 2.74 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 40 N 8.10 4.69 0.00 2.72 2.84 0.00 0.00 6.91 7.65 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 41 G 7.74 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.15 3.79 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 0.79 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.98 0.00 2.00 2.06 0.00 3.64 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 2.02 2.19 0.00 44 L 8.58 4.83 0.00 2.01 1.90 0.97 0.99 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 45 P 0.00 4.44 0.00 2.08 2.13 0.00 3.74 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 2.07 2.14 0.00 46 N 8.09 4.72 0.00 1.58 2.01 0.00 0.00 6.58 7.83 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 47 V 7.41 4.20 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 1.02 0.00 0.00 1.15 0.00 0.00 48 T 8.35 4.18 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 1.27 0.00 0.00 49 S 8.70 4.28 0.00 4.50 3.95 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 50 K 8.05 4.03 0.00 1.82 1.85 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.57 7.81 51 I 7.62 3.89 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.92 0.00 0.00 52 L 7.97 3.84 0.00 1.65 1.63 0.67 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.84 4.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 4.25 0.00 2.04 2.08 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.68 1.54 7.81 55 V 7.68 3.77 2.27 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 1.14 0.00 0.00 1.02 0.00 0.00 56 I 7.70 3.77 1.93 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.96 0.00 0.00 57 E 8.20 4.14 0.00 2.16 2.34 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 2.64 2.53 0.00 58 Y 7.69 4.03 0.00 2.79 3.14 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 59 C 8.15 3.84 0.00 3.04 2.94 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 60 K 8.37 3.73 0.00 1.95 1.92 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 R 7.19 3.65 0.00 1.08 1.64 0.00 2.85 0.00 0.00 2.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 62 H 7.90 4.08 0.00 2.86 3.13 0.00 5.88 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 63 V 7.98 3.59 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 0.98 0.00 0.00 0.99 0.00 0.00 64 E 7.60 4.41 0.00 2.04 1.84 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 2.25 2.26 0.00 65 A 7.30 4.43 1.25 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 66 A 7.41 4.07 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 67 A 7.45 4.29 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 *80 D 8.61 4.62 0.00 2.75 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 81 D 8.07 4.46 0.00 2.76 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 82 D 7.95 4.72 0.00 2.73 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 83 L 7.67 4.11 0.00 1.70 1.75 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.65 4.33 0.00 2.04 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 85 A 7.41 4.04 1.45 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 0.00 0.00 86 W 8.21 4.25 0.00 3.48 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 87 D 8.93 4.37 0.00 3.07 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 88 A 7.60 4.00 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 89 D 7.95 4.33 0.00 2.92 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 90 F 8.06 3.89 0.00 1.77 2.86 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 91 M 7.36 3.98 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 92 K 7.28 4.21 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.55 7.81 93 I 6.90 4.54 1.69 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.45 0.65 0.00 0.00 94 D 8.05 4.57 0.00 2.79 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 95 Q 8.28 3.38 0.00 1.91 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 96 A 7.84 3.92 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 97 T 7.53 3.83 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 1.08 0.00 0.00 98 L 7.45 3.79 0.00 1.54 1.42 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.93 4.52 0.00 3.06 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 0.00 100 E 8.00 4.11 0.00 2.10 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 2.50 2.51 0.00 101 L 7.66 4.04 0.00 1.82 1.67 0.77 0.99 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 0.00 102 I 7.51 3.69 2.03 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 1.54 0.82 0.91 0.00 0.00 103 L 8.04 4.00 0.00 1.85 1.72 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.80 4.07 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 0.00 105 A 8.71 3.95 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 0.00 106 N 8.02 4.58 0.00 2.81 2.88 0.00 0.00 7.15 7.71 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 0.00 107 Y 7.68 4.40 0.00 2.98 3.16 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 0.00 108 L 8.29 4.35 0.00 1.65 1.43 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.32 4.94 0.00 2.59 2.74 0.00 0.00 6.75 7.94 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 0.00 110 I 7.82 4.27 1.93 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 1.22 0.66 1.10 0.00 0.00 111 K 8.39 3.96 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 112 N 8.21 4.45 0.00 3.06 3.12 0.00 0.00 5.89 6.67 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 0.00 113 L 7.80 3.86 0.00 1.86 1.87 0.27 0.57 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 0.00 114 L 8.18 3.88 0.00 1.90 1.66 0.93 1.39 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 0.00 115 D 8.16 4.41 0.00 3.11 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 0.00 116 L 7.62 4.06 0.00 1.80 1.70 0.96 0.82 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 0.00 117 T 8.02 3.88 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 1.14 0.00 0.00 118 C 8.09 4.15 0.00 3.02 3.01 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 0.00 119 Q 7.78 3.98 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 120 T 7.58 3.86 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 1.19 0.00 0.00 121 V 7.64 3.89 2.26 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 1.07 0.00 0.00 1.23 0.00 0.00 122 A 8.23 4.01 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 0.00 123 D 8.33 4.58 0.00 2.76 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 0.00 124 M 7.52 4.27 0.00 1.98 2.45 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.59 0.00 125 I 7.79 4.09 2.08 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 1.74 1.16 0.97 0.00 0.00 126 K 7.44 4.17 0.00 1.77 1.76 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 127 G 7.98 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 0.00 128 K 7.31 4.34 0.00 1.84 1.78 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.66 7.81 129 T 8.29 4.60 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 1.32 0.00 0.00 130 P 0.00 4.19 0.00 2.22 2.24 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 131 E 8.16 4.00 0.00 2.09 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 0.00 2.38 2.45 0.00 132 E 7.98 4.21 0.00 2.03 1.95 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 2.30 2.34 0.00 133 I 8.23 3.83 2.07 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 1.64 1.43 1.11 0.00 0.00 134 R 8.51 3.97 0.00 1.84 2.25 0.00 3.11 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 135 T 7.63 3.90 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 1.16 0.00 0.00 136 T 7.28 4.31 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 1.09 0.00 0.00 137 F 7.40 4.82 0.00 3.06 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 0.00 138 N 7.91 4.16 0.00 2.87 2.96 0.00 0.00 7.06 7.79 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 0.00 139 I 8.29 4.35 1.90 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 1.32 1.03 0.86 0.00 0.00 140 K 8.32 4.21 0.00 1.68 1.67 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.38 7.81 141 N 8.74 4.22 0.00 2.69 2.74 0.00 0.00 7.11 8.47 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 0.00 142 D 8.04 4.87 0.00 2.75 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 0.00 0.00 0.00 0.00 143 F 8.14 4.90 0.00 3.28 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 0.00 144 T 8.64 4.07 4.27 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 1.35 0.00 0.00 145 P 0.00 4.42 0.00 2.05 2.16 0.00 3.69 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 2.05 2.21 0.00 146 E 8.09 4.17 0.00 2.06 1.95 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 2.30 2.37 0.00 147 E 7.46 3.86 0.00 1.97 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 2.31 2.40 0.00 148 E 8.01 3.23 0.00 2.02 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 2.35 2.34 0.00 149 E 7.68 3.99 0.00 2.15 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 2.18 2.27 0.00 150 E 8.72 3.25 0.00 2.07 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 2.27 2.31 0.00 151 V 8.07 3.59 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 0.94 0.00 0.00 0.73 0.00 0.00 152 R 7.62 3.57 0.00 1.72 1.81 0.00 3.15 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 153 R 8.78 2.58 0.00 1.73 1.53 0.00 2.79 0.00 0.00 2.99 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.56 0.00 154 E 7.98 3.79 0.00 2.13 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 0.00 2.43 2.51 0.00 155 N 8.68 4.49 0.00 2.70 2.84 0.00 0.00 6.95 7.84 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 0.00 156 Q 7.60 4.41 0.00 1.62 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 157 W 7.71 4.68 0.00 3.27 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 0.00 158 A 7.73 3.94 0.37 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 0.00 159 F 7.70 5.11 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 9.14 4.19 0.00 2.22 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 2.23 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.