NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3769 8.3001 120.3528 55.9645 35.6736 175.2194 1 A 4.0231 9.8193 119.6919 50.5468 15.6259 177.1638 *2 D 4.8464 9.3889 117.7647 52.4098 43.5950 178.7053 3 Q 3.8237 9.1217 114.8481 57.2849 29.6208 175.5872 4 L 4.7226 8.2683 124.8693 53.4028 43.9986 176.9272 5 T 4.2828 8.7542 112.2444 61.1332 70.9806 175.5203 6 E 3.9479 8.6570 122.3009 59.6647 29.6976 178.6023 7 D 4.4330 7.9533 118.8030 56.8338 41.3193 178.0164 8 Q 3.8239 8.0693 118.5804 58.9017 28.7054 178.8722 9 I 4.0877 7.9453 120.9376 64.6194 37.0734 178.5208 10 S 4.1148 8.4451 115.4731 61.4793 62.5535 176.2832 11 E 3.9376 8.2683 122.6052 59.2836 29.4601 178.6222 12 F 4.7860 8.2364 117.8476 61.0140 38.9749 177.9708 13 K 4.0152 8.5267 118.1649 59.2472 31.5431 178.9895 14 E 3.9652 7.9600 118.1837 59.1948 29.8541 178.3593 15 A 4.2643 8.4138 120.8081 55.4175 18.4996 179.0356 16 F 3.3019 8.9222 119.1490 61.6621 39.0853 177.4234 17 S 4.1675 8.2230 111.4517 61.2114 62.1186 175.9934 18 L 4.1012 8.2665 121.5518 57.6359 41.5148 178.9306 19 F 3.9812 7.9095 116.1119 59.8645 40.4540 176.6356 20 D 4.5039 7.9097 119.1256 52.6354 36.9891 176.2969 21 K 3.7308 7.6957 122.6024 59.3858 32.7442 177.7767 22 D 4.6990 8.5970 115.2624 52.0233 39.3831 176.2427 23 G 4.1025 8.3856 107.2566 46.9564 0.0000 174.0574 24 D 4.5421 8.3799 117.1029 53.1169 39.8890 177.1680 25 G 4.2086 10.7718 110.3709 45.2904 0.0000 173.1337 26 C 5.3621 8.1429 113.2651 56.6907 33.1461 173.5137 27 I 4.5620 9.1447 122.9532 60.3802 38.5290 175.5969 28 T 4.8375 8.5436 117.5420 60.3690 71.2311 176.1367 29 T 3.8291 8.5536 112.3682 64.8687 68.6191 176.0161 30 K 3.8697 8.0910 122.2784 59.4135 32.3136 178.3578 31 E 3.9923 8.2172 118.5677 59.1479 29.2435 179.2264 32 L 4.2278 8.3146 120.9921 58.0020 42.2190 179.0060 33 G 3.7239 8.8314 106.3529 48.2658 0.0000 175.3646 34 T 3.8431 7.9286 118.4792 66.4588 68.3005 176.7347 35 V 3.4428 7.3581 117.8082 66.1129 31.7708 177.5773 36 M 4.2141 8.7256 118.7460 58.5658 31.8273 178.6817 37 R 4.7538 8.7572 119.8215 58.8975 30.1682 179.2374 38 S 4.1566 7.8149 111.9126 60.7746 62.7524 175.4261 39 L 4.5402 7.7539 120.9670 54.0999 41.6302 176.6552 40 G 3.8450 8.7962 107.3059 46.1590 0.0000 173.3136 41 Q 4.7646 7.8548 116.9067 54.0962 32.5572 175.3412 42 N 5.5286 8.0936 114.3045 51.5785 39.7662 173.0375 43 P 4.5934 0.0000 0.0000 62.4762 32.8039 177.5648 44 T 4.2725 8.7512 112.4082 61.1595 71.2606 175.5825 45 E 3.8700 8.8055 122.0863 59.5594 29.4913 179.0846 46 A 4.0786 7.9296 120.3734 54.8163 18.4922 179.3223 47 E 3.9553 8.0196 116.9094 59.4247 29.5631 179.3011 48 L 4.0177 8.1306 119.1916 58.0823 41.7214 179.7047 49 Q 4.0117 8.0202 117.3711 58.7855 28.4717 178.6669 50 D 4.2705 7.8643 119.6159 57.6568 40.9309 178.2970 51 M 3.9986 8.3279 119.5345 58.7034 32.0114 179.0722 52 I 3.7137 7.9394 119.4991 64.6105 37.1386 178.2156 53 N 4.3365 8.2564 116.1760 56.5107 38.4545 177.0853 54 E 4.0973 8.8967 119.0874 58.2518 29.6066 178.3387 55 V 4.2633 6.9516 115.8968 62.6334 33.9272 176.4893 56 D 4.6249 7.9182 118.7509 53.2231 38.3884 175.7546 57 A 3.9590 8.1908 126.7505 54.4557 18.8877 178.4627 58 D 4.6031 8.4339 112.6105 52.5522 39.7151 176.5578 59 G 4.0036 7.8232 107.2788 46.9257 0.0000 174.0560 60 N 4.5978 8.4767 114.4151 52.4572 37.4886 175.9626 61 G 4.0127 10.0452 109.9044 45.3643 0.0000 173.1514 62 T 4.8865 7.6953 107.7696 60.0845 72.7182 173.2079 63 I 4.7091 8.6413 122.9878 60.0930 39.1376 175.8665 64 D 5.1207 9.2124 128.1734 52.2148 42.2275 177.0654 65 F 3.5324 8.6286 119.1524 60.9735 39.1951 175.1897 66 P 3.6795 0.0000 0.0000 65.8807 30.7048 178.1153 67 E 3.8402 8.3785 118.2179 59.0876 29.3970 178.9972 68 F 4.0479 8.3014 120.7625 61.1234 39.3844 176.8940 69 L 3.2045 8.1328 120.6014 58.0489 41.8743 178.7632 70 N 4.1215 8.0409 116.5214 55.8069 38.3536 177.3196 71 L 3.7352 7.2998 121.9290 58.4891 42.2021 178.9710 72 M 3.7608 7.2306 118.2659 58.0423 31.6035 178.7178 73 A 3.9000 7.8109 121.3780 55.0223 18.5125 179.6857 74 R 3.7908 7.7046 116.8088 59.4191 30.0807 178.9675 75 K 3.9821 8.0415 118.4758 59.3044 31.9498 179.0058 76 M 4.0205 8.3374 118.9524 58.6943 32.1701 178.2505 77 K 3.9852 8.2090 119.7647 59.4408 32.3113 178.4770 78 D 4.3342 8.1152 119.2310 57.6443 40.7540 178.7364 79 T 3.8857 8.0298 116.1686 66.7748 68.4682 176.1546 80 D 4.3932 8.4241 120.9436 57.6274 40.9153 178.9055 81 S 4.1433 8.2813 115.6690 61.7800 62.9107 176.5468 82 E 3.9758 8.2861 121.4968 59.5864 29.3623 178.7632 83 E 4.0513 8.9249 118.8223 59.4641 29.4618 179.2723 84 E 4.0605 8.9164 119.1192 59.1708 29.4971 179.3560 85 L 4.3297 8.0317 119.3356 57.7726 41.7596 179.6029 86 K 4.1414 8.4539 118.5283 59.4907 31.9837 179.2316 87 E 3.9820 8.6453 118.9305 59.3633 29.4099 179.1730 88 A 4.0670 8.2074 120.7415 55.2382 18.4594 179.3615 89 F 3.2880 8.3299 118.9830 61.3913 39.2005 177.4393 90 R 3.9209 7.9337 116.3514 59.2436 29.8956 178.8805 91 V 3.6071 7.5078 117.0467 65.9492 31.5688 177.8961 92 F 4.2517 7.5415 116.1899 59.8560 40.3623 177.1086 93 D 4.6794 7.8549 119.6916 53.0738 37.1248 175.8558 94 K 3.7549 7.9998 124.3743 58.9985 32.6477 176.8761 95 D 4.6818 8.6080 115.1534 52.3346 39.5395 175.9384 96 Q 3.5187 7.7562 117.3659 57.4253 26.7827 173.9853 97 N 4.6704 8.7764 112.1299 52.7890 38.1298 175.6259 98 G 3.8794 9.8210 108.3084 45.1090 0.0000 173.3820 99 F 5.3775 8.1961 116.8054 55.8333 43.4380 174.1615 100 I 4.5997 8.9805 123.4152 59.9683 38.7740 175.6812 101 S 4.9100 8.9867 122.0745 56.9397 65.2071 175.3066 102 A 3.9695 8.7539 121.9426 55.4537 18.0497 179.7968 103 A 3.9546 7.9886 118.6203 55.4696 18.4011 179.6073 104 E 3.9857 8.2869 117.0925 59.2898 29.5061 179.2839 105 L 4.1017 8.3498 120.8887 58.1132 42.1906 179.0120 106 R 3.9095 8.2985 118.8726 60.0754 30.0795 177.5043 107 H 4.1068 8.4619 118.1583 59.0102 29.6072 176.9399 108 V 3.4970 8.1859 120.7434 66.7671 31.4277 177.4009 109 M 4.1114 8.4144 117.3700 58.9160 31.9134 177.9342 110 T 4.8737 8.0791 116.5960 66.4579 68.7250 175.7390 111 N 4.6314 7.9314 113.7692 54.1980 38.4621 175.7785 112 L 4.6022 8.9425 122.0170 54.3362 42.7187 176.3410 113 G 3.8227 8.5674 105.4536 46.1106 0.0000 173.0992 114 E 4.3928 7.9793 119.5719 54.0214 31.4507 174.5187 115 K 4.5575 8.6885 126.6225 54.8470 33.0908 175.9778 116 L 4.8871 8.2241 123.9138 53.2334 44.1967 177.1138 117 T 4.3737 8.5036 112.4451 60.7747 71.4986 175.7717 118 D 4.3141 8.4348 119.9135 57.5373 40.8264 178.4461 119 E 3.9391 8.1994 119.2279 59.4686 29.5880 178.6001 120 E 3.9690 7.9342 118.4566 59.2604 29.5348 179.4089 121 V 3.5854 7.7853 118.2028 66.2942 31.6136 177.8338 122 D 4.3874 8.1267 118.4768 57.4244 40.6621 178.6921 123 E 3.9999 8.3006 119.0737 59.6471 29.2426 179.3235 124 M 4.0804 8.2112 118.7354 58.3134 31.9608 178.8580 125 I 3.7468 7.7943 119.8314 64.5353 37.1293 178.5599 126 R 3.9195 8.0885 117.7206 59.5072 29.9937 178.4874 127 E 4.0514 8.5387 117.1628 59.0861 29.5652 178.5887 128 A 4.5614 7.4952 118.1953 52.2157 20.6792 178.2179 129 D 4.6150 7.9381 118.0610 53.1650 38.7183 176.4445 130 V 3.5978 7.9333 123.6034 65.4553 31.9736 176.7130 131 D 4.5385 8.4750 115.8003 52.9579 39.5997 176.3213 132 G 3.9437 7.7379 107.9233 46.9675 0.0000 174.1718 133 D 4.4847 8.3981 117.0100 52.9406 39.7905 177.2324 134 G 3.9662 10.0730 109.1641 45.3385 0.0000 172.8900 135 Q 4.7299 8.0218 115.9330 54.6958 32.5276 174.4207 136 I 4.8375 8.9089 121.6401 59.8790 39.0801 175.7668 137 N 5.1887 9.3727 125.8538 52.1076 39.2970 175.8464 138 Y 3.3997 8.3932 118.6632 60.8873 38.6000 177.4665 139 D 4.1733 8.0973 119.0956 57.5732 40.9035 178.7554 140 E 3.9547 8.0991 118.3868 59.2137 29.5016 178.9657 141 F 4.1042 8.3847 120.7429 61.1971 39.4327 177.2709 142 V 3.3071 7.8816 118.2098 65.7807 31.0675 177.6022 143 K 3.7449 7.7188 118.1569 59.7458 32.0532 178.7341 144 V 3.6946 7.4358 117.7327 64.7870 31.1697 178.0230 145 M 4.0074 7.7721 119.5820 58.1473 31.4790 177.5953 146 M 4.4761 7.7687 116.1210 55.1398 32.2471 176.3002 147 A 4.2084 7.4617 127.8373 52.4004 19.5542 176.6065 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 0 M 8.30 4.38 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 1 A 9.82 4.02 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 *2 D 9.39 4.85 0.00 2.65 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 0.00 0.00 0.00 3 Q 9.12 3.82 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 4 L 8.27 4.72 0.00 1.76 1.68 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.75 4.28 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 1.29 0.00 0.00 6 E 8.66 3.95 0.00 2.07 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 2.39 2.39 0.00 7 D 7.95 4.43 0.00 2.77 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 8 Q 8.07 3.82 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 9 I 7.95 4.09 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.92 1.15 0.00 0.00 10 S 8.45 4.11 0.00 4.01 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 0.00 11 E 8.27 3.94 0.00 2.20 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 2.20 2.34 0.00 12 F 8.24 4.79 0.00 3.67 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 4.02 0.00 1.94 1.64 0.00 1.44 0.00 0.00 1.17 0.00 0.00 2.16 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 1.18 7.81 14 E 7.96 3.97 0.00 2.04 2.17 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 2.37 2.36 0.00 15 A 8.41 4.26 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 0.00 0.00 0.00 0.00 0.00 16 F 8.92 3.30 0.00 2.78 3.30 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 17 S 8.22 4.17 0.00 4.14 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 0.00 18 L 8.27 4.10 0.00 1.60 1.56 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.91 3.98 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 20 D 7.91 4.50 0.00 2.17 2.45 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 21 K 7.70 3.73 0.00 1.88 1.87 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.37 7.81 22 D 8.60 4.70 0.00 2.76 2.74 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 23 G 8.39 4.10 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 0.00 24 D 8.38 4.54 0.00 2.86 2.81 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 25 G 10.77 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 26 C 8.14 5.36 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 27 I 9.14 4.56 1.79 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.03 0.89 0.00 0.00 28 T 8.54 4.84 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 1.22 0.00 0.00 29 T 8.55 3.83 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 1.33 0.00 0.00 30 K 8.09 3.87 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.55 7.81 31 E 8.22 3.99 0.00 2.21 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 2.31 2.31 0.00 32 L 8.31 4.23 0.00 1.88 1.90 1.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.83 3.72 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 0.00 0.00 0.00 34 T 7.93 3.84 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 1.17 0.00 0.00 35 V 7.36 3.44 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 0.39 0.00 0.00 0.66 0.00 0.00 36 M 8.73 4.21 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.98 0.00 37 R 8.76 4.75 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 38 S 7.81 4.16 0.00 4.00 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 39 L 7.75 4.54 0.00 1.80 1.74 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.80 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 0.00 0.00 0.00 41 Q 7.85 4.76 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 42 N 8.09 5.53 0.00 2.63 2.70 0.00 0.00 6.92 8.02 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 43 P 0.00 4.59 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 44 T 8.75 4.27 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 45 E 8.81 3.87 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 2.38 2.46 0.00 46 A 7.93 4.08 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 47 E 8.02 3.96 0.00 2.30 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 2.33 2.35 0.00 48 L 8.13 4.02 0.00 1.69 1.73 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.02 4.01 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 50 D 7.86 4.27 0.00 2.87 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 51 M 8.33 4.00 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 52 I 7.94 3.71 1.88 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 1.71 0.96 0.96 0.00 0.00 53 N 8.26 4.34 0.00 2.86 2.89 0.00 0.00 7.17 7.67 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 54 E 8.90 4.10 0.00 1.88 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 2.33 2.53 0.00 55 V 6.95 4.26 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 56 D 7.92 4.62 0.00 2.92 2.55 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 57 A 8.19 3.96 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 58 D 8.43 4.60 0.00 2.82 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 59 G 7.82 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 0.00 0.00 0.00 60 N 8.48 4.60 0.00 2.89 2.94 0.00 0.00 7.05 6.69 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 61 G 10.05 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 62 T 7.70 4.89 4.40 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 1.23 0.00 0.00 63 I 8.64 4.71 1.95 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 1.31 1.18 1.09 0.00 0.00 64 D 9.21 5.12 0.00 2.77 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 65 F 8.63 3.53 0.00 2.37 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 66 P 0.00 3.68 0.00 2.22 2.25 0.00 3.81 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 2.27 2.07 0.00 67 E 8.38 3.84 0.00 2.28 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 2.31 2.43 0.00 68 F 8.30 4.05 0.00 3.40 3.26 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 69 L 8.13 3.20 0.00 0.68 1.23 0.62 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.04 4.12 0.00 2.61 2.73 0.00 0.00 6.70 7.47 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 71 L 7.30 3.74 0.00 1.51 1.49 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.23 3.76 0.00 1.04 1.15 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.12 0.00 73 A 7.81 3.90 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 74 R 7.70 3.79 0.00 1.95 2.02 0.00 3.10 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 75 K 8.04 3.98 0.00 1.90 1.81 0.00 1.71 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.48 7.81 76 M 8.34 4.02 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 77 K 8.21 3.99 0.00 1.86 1.78 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 78 D 8.12 4.33 0.00 2.95 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 79 T 8.03 3.89 4.44 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 1.24 0.00 0.00 80 D 8.42 4.39 0.00 2.87 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 81 S 8.28 4.14 0.00 4.03 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 82 E 8.29 3.98 0.00 2.09 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 2.39 2.45 0.00 83 E 8.92 4.05 0.00 2.18 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 0.00 2.58 2.52 0.00 84 E 8.92 4.06 0.00 2.20 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 0.00 2.37 2.59 0.00 85 L 8.03 4.33 0.00 2.13 2.02 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.45 4.14 0.00 2.00 1.81 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.09 1.70 7.81 87 E 8.65 3.98 0.00 2.20 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 2.35 2.56 0.00 88 A 8.21 4.07 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 3.29 0.00 2.97 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 90 R 7.93 3.92 0.00 2.04 1.97 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 91 V 7.51 3.61 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 0.50 0.00 0.00 0.91 0.00 0.00 92 F 7.54 4.25 0.00 2.89 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 93 D 7.85 4.68 0.00 2.02 2.37 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 94 K 8.00 3.75 0.00 1.74 1.95 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 95 D 8.61 4.68 0.00 2.80 2.74 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 96 Q 7.76 3.52 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 97 N 8.78 4.67 0.00 2.96 3.00 0.00 0.00 6.56 7.00 0.00 0.00 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 G 9.82 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 99 F 8.20 5.38 0.00 2.96 2.99 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 0.00 100 I 8.98 4.60 1.87 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.20 0.86 0.00 0.00 101 S 8.99 4.91 0.00 3.93 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 0.00 102 A 8.75 3.97 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 0.00 103 A 7.99 3.95 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 0.00 104 E 8.29 3.99 0.00 2.21 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 0.00 2.33 2.33 0.00 105 L 8.35 4.10 0.00 1.75 1.85 0.84 0.83 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 0.00 106 R 8.30 3.91 0.00 1.94 2.19 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 107 H 8.46 4.11 0.00 3.38 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.19 3.50 2.30 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 0.28 0.00 0.00 1.04 0.00 0.00 109 M 8.41 4.11 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.69 0.00 110 T 8.08 4.87 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 1.19 0.00 0.00 111 N 7.93 4.63 0.00 2.69 2.78 0.00 0.00 6.92 7.26 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 0.00 112 L 8.94 4.60 0.00 1.54 1.88 0.91 1.12 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 0.00 113 G 8.57 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 0.00 114 E 7.98 4.39 0.00 2.03 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 0.00 2.30 2.39 0.00 115 K 8.69 4.56 0.00 1.77 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.43 7.81 116 L 8.22 4.89 0.00 1.63 1.68 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.50 4.37 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 1.22 0.00 0.00 118 D 8.43 4.31 0.00 2.75 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 0.00 119 E 8.20 3.94 0.00 2.07 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 2.38 2.47 0.00 120 E 7.93 3.97 0.00 2.20 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 2.33 2.32 0.00 121 V 7.79 3.59 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 1.07 0.00 0.00 1.06 0.00 0.00 122 D 8.13 4.39 0.00 2.75 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 0.00 123 E 8.30 4.00 0.00 2.23 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 2.33 2.45 0.00 124 M 8.21 4.08 0.00 2.04 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 125 I 7.79 3.75 2.04 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 1.74 0.86 0.93 0.00 0.00 126 R 8.09 3.92 0.00 1.89 2.00 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 127 E 8.54 4.05 0.00 2.07 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 2.34 2.50 0.00 128 A 7.50 4.56 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 0.00 129 D 7.94 4.61 0.00 2.97 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 0.00 130 V 7.93 3.60 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 0.88 0.00 0.00 0.97 0.00 0.00 131 D 8.47 4.54 0.00 2.87 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 0.00 132 G 7.74 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 0.00 133 D 8.40 4.48 0.00 2.75 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 0.00 134 G 10.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.02 4.73 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 136 I 8.91 4.84 2.03 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 1.35 0.99 1.14 0.00 0.00 137 N 9.37 5.19 0.00 2.79 3.31 0.00 0.00 6.20 6.84 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 0.00 138 Y 8.39 3.40 0.00 2.18 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 0.00 139 D 8.10 4.17 0.00 2.71 2.67 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 0.00 140 E 8.10 3.95 0.00 2.29 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 2.43 2.41 0.00 141 F 8.38 4.10 0.00 3.35 3.29 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 0.00 142 V 7.88 3.31 1.92 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 0.88 0.00 0.00 0.13 0.00 0.00 143 K 7.72 3.74 0.00 1.82 1.95 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 144 V 7.44 3.69 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 0.65 0.00 0.00 0.84 0.00 0.00 145 M 7.77 4.01 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 146 M 7.77 4.48 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 147 A 7.46 4.21 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 * Residues marked with a * may have inaccurate shift predictions.