NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.8615 8.0232 122.2808 51.0913 20.3349 176.5288 3 P 4.4679 0.0000 0.0000 61.8758 32.0611 175.0652 4 K 4.2804 9.5341 123.7229 59.5179 33.5580 177.3114 5 A 4.7879 7.8128 119.4473 50.6511 23.0163 175.3111 6 V 4.6761 8.8978 122.2014 61.2302 33.7577 174.4264 7 L 5.0974 9.2153 129.0888 53.7606 43.5079 176.2875 8 V 4.6282 9.6929 115.7200 58.7762 36.0706 175.2631 9 G 4.1931 7.5963 114.1913 45.1600 0.0000 171.8562 10 L 4.5697 7.4500 120.1853 52.1749 43.3922 174.6526 11 P 4.5299 0.0000 0.0000 64.3602 31.5251 177.1797 12 G 4.1131 9.0708 110.7771 45.4746 0.0000 174.5177 13 S 4.1910 7.8634 113.2964 59.2326 63.7412 175.4596 14 G 3.9297 8.3984 109.5083 45.5145 0.0000 174.8324 15 K 3.8346 7.7548 119.6595 59.7280 31.9503 178.9969 16 S 4.1105 8.0005 114.2605 61.9740 62.8956 176.7046 17 T 3.8340 7.7919 117.5683 66.8080 68.3144 176.4062 18 I 3.7992 7.8637 121.7222 64.5217 37.1649 178.6375 19 G 3.6017 8.4005 106.5556 47.7552 0.0000 175.5318 20 R 3.8989 8.1037 121.6717 59.2970 30.0654 178.8113 21 R 3.9437 8.4865 118.0846 59.0873 30.1645 178.8887 22 L 3.9222 8.5983 120.3610 57.9667 42.1120 178.8688 23 A 3.9841 8.1139 120.7291 55.1049 18.3641 179.4875 24 K 3.8619 8.1546 117.9088 59.6814 32.0549 178.8202 25 A 4.0495 8.1962 120.1936 54.5237 18.3565 178.6068 26 L 4.4409 7.6356 114.6304 53.7987 42.2973 176.9842 27 G 3.8682 7.8822 106.8719 46.6997 0.0000 173.3807 28 V 4.5234 7.7142 112.7423 59.1084 35.3768 175.2069 29 G 4.1835 8.4767 107.3862 45.1409 0.0000 172.3912 30 L 5.3077 8.3979 122.9971 52.9502 44.0574 175.1256 31 L 4.6546 8.8357 128.4801 53.2195 44.8750 174.1406 32 D 5.3362 8.5109 126.1027 52.8224 42.7626 177.1841 33 T 3.8837 8.7892 117.4062 64.9633 68.6625 176.5176 34 D 4.4066 8.2367 121.3945 57.1395 40.8975 178.7396 35 V 3.5831 8.4041 118.7308 65.9855 31.6244 178.0120 36 A 4.0535 8.2865 120.7584 55.1744 18.2467 179.6656 37 I 3.7044 8.0372 118.6012 64.1558 37.2236 177.9765 38 E 4.2774 8.1478 120.2497 58.6895 29.2996 178.6032 39 Q 3.9848 7.9694 117.0499 59.7521 29.0057 177.9080 40 R 3.8089 7.9643 116.9204 60.6968 30.0931 178.6770 41 T 4.0798 8.1443 112.4950 62.9469 69.1776 175.8598 42 G 3.9555 8.4401 108.5572 45.5353 0.0000 173.0854 43 R 4.6304 7.7176 117.0397 52.9095 33.8952 176.0660 44 S 4.9857 8.5053 118.5254 58.0069 64.8915 175.6687 45 I 3.9337 8.3009 122.3178 64.5110 36.7850 178.5461 46 A 3.9787 7.9746 121.1939 55.2132 18.2264 179.2372 47 D 4.3569 8.0937 117.0180 57.4239 40.9658 179.0488 48 I 3.8917 7.9354 120.4218 63.9893 36.9749 178.2341 49 F 3.7850 8.3176 121.4578 61.1898 39.1701 177.2338 50 A 4.0714 8.2774 119.5236 55.1786 18.1872 179.2148 51 T 4.1814 7.8512 112.9761 65.8169 69.2436 175.8537 52 D 4.5560 8.0960 117.7509 53.8264 42.2826 178.0238 53 G 3.8469 8.1348 104.6370 45.2779 0.0000 174.0221 54 E 2.9222 7.9742 119.5890 59.0429 29.3516 179.2865 55 Q 3.9551 7.8505 117.4858 58.8622 28.7724 178.2689 56 E 3.9263 7.9765 119.9992 58.9565 29.7209 178.3379 57 F 4.0725 8.1004 120.8174 61.4991 39.4328 177.4326 58 R 3.8795 8.3536 117.7318 58.9076 29.7802 179.1425 59 R 3.8095 7.6354 118.6870 59.3950 30.1165 178.6240 60 I 3.5817 7.5560 119.6053 64.2503 37.1810 177.9817 61 E 3.6830 8.0106 120.4511 59.2618 29.4211 178.4554 62 E 3.9166 8.2391 119.3823 59.3895 29.7001 178.5636 63 D 4.3203 8.0107 118.9770 57.2603 40.8330 178.9181 64 V 3.5552 7.8861 118.8801 65.7423 31.5202 178.2513 65 V 3.5258 8.0074 118.2659 66.1766 31.0855 178.0806 66 R 3.9158 8.1160 117.5933 59.3080 29.8616 178.9781 67 A 4.0269 7.9907 120.0331 55.0634 18.3159 179.5315 68 A 3.9622 8.1566 119.3802 55.3651 18.3663 179.8748 69 L 3.8844 8.5922 117.2947 57.0883 41.3243 179.0469 70 A 4.3271 7.3709 118.3646 53.2412 19.8570 177.4628 71 D 4.6429 8.4117 115.0724 54.5776 42.1797 175.8786 72 H 4.7619 8.2933 119.8598 54.7812 30.7752 173.8682 73 D 5.3722 8.0170 124.0553 53.2396 42.5705 176.0403 74 G 4.1169 6.6868 105.7919 46.3314 0.0000 175.1550 75 V 4.8529 9.4800 126.9293 60.8552 33.5650 173.4007 76 L 5.0366 8.9690 130.3549 53.5178 44.5100 174.9136 77 S 4.9807 9.0545 123.5800 57.0092 64.4456 173.1607 78 L 4.6606 8.6920 128.3899 53.6621 43.1048 176.8993 79 G 3.9989 8.8712 115.2478 45.1820 0.0000 174.5439 80 G 4.0185 9.0198 112.2418 48.4535 0.0000 174.5175 81 G 3.9013 8.1365 106.0444 45.5139 0.0000 174.9602 82 A 4.5516 8.1405 124.4142 54.8105 18.1158 179.7856 83 V 3.8351 7.7724 107.7299 63.2217 31.7622 177.6948 84 T 4.2343 7.8608 109.2876 61.9940 69.2918 174.5082 85 S 4.5275 7.7646 119.9112 56.9334 63.7352 172.9151 86 P 4.3454 0.0000 0.0000 65.8655 31.0825 178.9028 87 G 4.1808 7.9807 105.0531 47.1264 0.0000 175.8186 88 V 3.6518 7.5733 120.1079 65.8919 31.4670 178.1728 89 R 3.9338 7.8878 116.7372 59.1476 30.2858 178.6244 90 A 4.1191 8.2035 120.4415 55.0933 18.1959 179.5964 91 A 4.0343 7.8023 118.1843 54.9240 18.7303 179.2125 92 L 4.2091 7.9761 116.1996 54.9246 41.7231 176.8338 93 A 4.1539 7.2067 122.5210 54.0237 18.4819 177.8881 94 G 3.9430 9.0793 112.0739 45.5492 0.0000 173.1777 95 H 4.4852 7.7885 116.2403 55.2228 29.9061 175.2420 96 T 4.3279 8.2704 117.7212 62.9963 69.2062 174.0344 97 V 4.6785 8.4595 127.8370 61.0622 33.9129 174.5012 98 V 4.6554 9.0469 129.2927 61.6612 33.1901 174.0318 99 Y 4.9828 9.1436 131.4118 56.4588 39.6782 174.7203 100 L 4.4585 8.6344 128.8623 54.0808 41.1113 176.0264 101 E 3.5910 8.3422 125.3580 55.3590 30.9254 174.8707 102 I 5.1573 7.8486 124.8544 59.4956 41.6414 174.4299 103 S 4.5104 9.4278 121.6357 57.4042 64.4162 175.1277 104 A 4.2243 8.8231 123.3806 55.6010 18.0494 180.0709 105 A 3.9401 7.9840 118.6557 55.3510 18.4866 179.3705 106 E 4.0486 8.1842 117.7709 58.9683 29.4046 179.3351 107 G 3.8672 7.9534 106.8809 46.9157 0.0000 175.5326 108 V 3.2282 7.3774 120.6966 65.6987 31.2869 177.9064 109 R 3.8873 7.5304 116.7675 59.4277 29.8414 177.6046 110 R 4.4725 7.2631 115.3789 55.3726 30.6700 175.7291 111 T 4.3826 7.6340 108.4883 60.5200 71.8329 171.6918 112 G 3.4420 9.2708 107.2977 45.4007 0.0000 175.8921 113 G 3.4008 7.7145 101.7726 46.7405 0.0000 173.4848 *121 A 4.1215 7.5283 129.4014 52.5605 20.5225 175.6189 122 G 4.3206 8.0906 107.5430 43.9422 0.0000 171.5207 123 P 4.6787 0.0000 0.0000 62.2205 32.6494 175.4139 124 D 4.7603 8.4902 119.4172 52.7081 41.2863 177.8738 125 R 3.6832 8.1006 119.5253 59.4656 30.6854 178.2093 126 A 4.0181 8.0416 120.3398 55.1464 18.4513 179.0462 127 E 3.9404 8.6194 118.3692 59.1584 29.7342 179.2470 128 K 4.0197 7.9906 118.3824 59.4935 32.2825 178.5455 129 Y 4.0125 8.3405 119.9976 60.5967 38.6770 178.2491 130 R 4.0028 8.4961 119.0531 59.2810 30.1111 178.8716 131 A 3.9963 7.9903 120.5710 55.0469 18.3307 179.4873 132 L 3.8438 7.8145 118.7988 58.3724 42.1627 178.8679 133 M 3.9417 7.8981 118.0743 58.4530 31.9132 178.0239 134 A 4.0631 7.7346 120.1811 55.1298 18.6069 179.4437 135 K 4.0342 7.6762 115.8364 58.8408 32.4575 179.2321 136 R 3.7889 7.7519 117.8662 58.0622 30.4901 178.2536 137 A 4.1104 8.2468 120.9640 55.1481 18.3179 177.8479 138 P 4.1633 0.0000 0.0000 65.8457 31.2462 178.8578 139 L 3.9266 7.4979 117.1839 57.7934 41.5411 178.9582 140 Y 4.1045 7.3334 116.8171 60.8794 37.3710 178.5391 141 R 3.9223 7.6378 118.4374 59.1363 30.2206 178.7024 142 R 4.0066 7.6723 117.7367 58.8832 30.1992 178.1010 143 V 4.0796 7.3143 109.2480 60.5118 32.5912 176.3018 144 A 4.3924 7.3605 122.4403 52.3862 18.7575 177.2894 145 T 4.5908 8.6743 111.1290 61.9970 70.9284 174.4059 146 M 4.6922 7.8329 122.7466 54.5708 35.7456 173.1775 147 R 5.0177 8.7997 125.7451 54.7773 32.0591 175.7760 148 V 4.1964 8.5268 125.6647 60.8298 33.5176 174.5663 149 D 4.9276 8.6337 128.9062 54.2267 41.0300 176.3340 150 T 4.5734 8.4941 112.5091 61.5765 69.7730 175.9567 151 N 4.4867 8.4578 121.6263 56.2376 38.8391 176.1928 152 R 4.4676 7.2973 110.8524 56.7656 32.9697 176.4216 153 R 4.0568 7.9326 115.2585 56.2697 30.8598 175.5907 154 N 4.8272 8.3629 117.2319 51.0763 39.4471 174.1701 155 P 4.2882 0.0000 0.0000 66.1769 31.5645 179.0022 156 G 3.6856 8.0619 103.3861 47.8367 0.0000 175.3920 157 A 4.1169 8.3595 122.7824 54.6512 18.3792 179.9086 158 V 3.5866 7.6983 116.7167 65.8970 31.6109 178.3166 159 V 3.5752 7.8264 118.1582 66.1549 31.3085 178.3138 160 R 3.9114 7.9239 117.4140 59.3039 29.5731 178.6685 161 H 4.1211 7.8071 117.0685 59.1502 30.2202 177.0936 162 I 3.8732 7.9734 121.6813 64.5436 37.0502 178.1400 163 L 4.0448 8.1095 120.1424 58.0639 41.3062 179.5742 164 S 4.3277 7.7465 111.9661 60.0830 63.0628 175.3773 165 R 4.4818 8.0218 120.3439 55.0872 31.4468 175.9551 166 L 4.2134 7.2917 119.5073 54.1747 42.3658 177.0268 167 Q 4.1241 8.6946 121.1460 56.3346 28.5068 177.3584 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 8.02 4.86 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 3 P 0.00 4.47 0.00 2.17 2.13 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.35 0.00 4 K 9.53 4.28 0.00 1.69 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.67 1.54 7.81 5 A 7.81 4.79 1.21 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 6 V 8.90 4.68 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 0.79 0.00 0.00 0.94 0.00 0.00 7 L 9.22 5.10 0.00 1.60 1.55 0.92 0.66 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 8 V 9.69 4.63 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 0.72 0.00 0.00 0.96 0.00 0.00 9 G 7.60 4.19 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 0.00 10 L 7.45 4.57 0.00 1.81 1.63 0.98 1.06 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 11 P 0.00 4.53 0.00 2.23 2.07 0.00 3.73 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 2.11 2.15 0.00 12 G 9.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.86 4.19 0.00 4.10 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 14 G 8.40 3.93 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 0.00 0.00 0.00 15 K 7.75 3.83 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.63 7.81 16 S 8.00 4.11 0.00 3.86 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 17 T 7.79 3.83 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 18 I 7.86 3.80 1.94 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 1.44 0.87 0.91 0.00 0.00 19 G 8.40 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.10 3.90 0.00 1.89 2.18 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 21 R 8.49 3.94 0.00 1.84 1.96 0.00 3.27 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 22 L 8.60 3.92 0.00 1.77 1.85 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.11 3.98 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 24 K 8.15 3.86 0.00 1.85 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 A 8.20 4.05 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 26 L 7.64 4.44 0.00 1.66 1.71 0.93 0.69 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 27 G 7.88 3.87 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 0.00 0.00 0.00 28 V 7.71 4.52 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 0.69 0.00 0.00 1.00 0.00 0.00 29 G 8.48 4.18 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 0.00 30 L 8.40 5.31 0.00 1.64 1.57 0.96 0.88 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 31 L 8.84 4.65 0.00 1.32 1.16 0.80 1.13 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 32 D 8.51 5.34 0.00 2.75 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 33 T 8.79 3.88 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 1.24 0.00 0.00 34 D 8.24 4.41 0.00 2.94 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 35 V 8.40 3.58 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 1.05 0.00 0.00 0.99 0.00 0.00 36 A 8.29 4.05 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 37 I 8.04 3.70 2.06 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.41 0.87 0.00 0.00 38 E 8.15 4.28 0.00 2.11 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 2.31 2.41 0.00 39 Q 7.97 3.98 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 40 R 7.96 3.81 0.00 2.05 1.90 0.00 3.32 0.00 0.00 3.26 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 41 T 8.14 4.08 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 1.22 0.00 0.00 42 G 8.44 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 43 R 7.72 4.63 0.00 1.79 1.83 0.00 3.21 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 44 S 8.51 4.99 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.30 3.93 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.06 0.67 0.00 0.00 46 A 7.97 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.09 4.36 0.00 2.90 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 48 I 7.94 3.89 2.23 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 1.14 0.00 0.00 49 F 8.32 3.78 0.00 3.21 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 50 A 8.28 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 51 T 7.85 4.18 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 52 D 8.10 4.56 0.00 2.89 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 53 G 8.13 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 54 E 7.97 2.92 0.00 1.51 1.76 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 2.39 2.52 0.00 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0.00 0.00 0.00 0.00 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 V 7.89 3.56 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 0.96 0.00 0.00 0.91 0.00 0.00 65 V 8.01 3.53 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 0.87 0.00 0.00 0.97 0.00 0.00 66 R 8.12 3.92 0.00 1.87 1.96 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 67 A 7.99 4.03 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 68 A 8.16 3.96 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 69 L 8.59 3.88 0.00 1.76 1.61 0.88 0.48 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 70 A 7.37 4.33 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 71 D 8.41 4.64 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.29 4.76 0.00 3.05 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.02 5.37 0.00 2.60 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 74 G 6.69 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 0.00 0.00 0.00 75 V 9.48 4.85 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 1.07 0.00 0.00 0.95 0.00 0.00 76 L 8.97 5.04 0.00 1.83 1.52 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.05 4.98 0.00 3.78 3.78 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 78 L 8.69 4.66 0.00 1.77 1.58 0.92 1.38 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 79 G 8.87 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 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0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 97 V 8.46 4.68 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 1.09 0.00 0.00 0.97 0.00 0.00 98 V 9.05 4.66 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 0.89 0.00 0.00 0.96 0.00 0.00 99 Y 9.14 4.98 0.00 2.96 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 0.00 100 L 8.63 4.46 0.00 1.49 1.54 0.89 0.83 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 0.00 101 E 8.34 3.59 0.00 1.16 1.57 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 0.00 2.13 1.92 0.00 102 I 7.85 5.16 1.85 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 1.44 1.04 1.00 0.00 0.00 103 S 9.43 4.51 0.00 4.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.82 4.22 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.53 4.12 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 0.00 122 G 8.09 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 0.00 0.00 0.00 123 P 0.00 4.68 0.00 2.20 2.24 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 124 D 8.49 4.76 0.00 2.85 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 0.00 125 R 8.10 3.68 0.00 1.91 1.93 0.00 3.17 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 126 A 8.04 4.02 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 0.00 127 E 8.62 3.94 0.00 2.23 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 2.32 2.37 0.00 128 K 7.99 4.02 0.00 2.08 1.86 0.00 1.74 0.00 0.00 1.75 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0.00 0.00 0.00 0.00 1.55 1.70 0.00 137 A 8.25 4.11 1.49 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 0.00 0.00 138 P 0.00 4.16 0.00 2.08 2.07 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 139 L 7.50 3.93 0.00 1.44 1.51 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.33 4.10 0.00 1.96 1.46 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 0.00 141 R 7.64 3.92 0.00 1.92 2.02 0.00 3.27 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 142 R 7.67 4.01 0.00 1.78 2.09 0.00 3.22 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 143 V 7.31 4.08 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 0.84 0.00 0.00 1.04 0.00 0.00 144 A 7.36 4.39 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 0.00 145 T 8.67 4.59 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 1.32 0.00 0.00 146 M 7.83 4.69 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 147 R 8.80 5.02 0.00 1.77 1.97 0.00 3.31 0.00 0.00 3.61 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 148 V 8.53 4.20 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 0.83 0.00 0.00 0.96 0.00 0.00 149 D 8.63 4.93 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.49 4.57 4.19 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 1.18 0.00 0.00 151 N 8.46 4.49 0.00 2.71 2.91 0.00 0.00 6.86 7.66 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 0.00 152 R 7.30 4.47 0.00 1.75 1.89 0.00 3.20 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 153 R 7.93 4.06 0.00 1.76 1.85 0.00 3.29 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 154 N 8.36 4.83 0.00 2.93 2.92 0.00 0.00 6.00 7.76 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 0.00 155 P 0.00 4.29 0.00 2.17 2.17 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 156 G 8.06 3.69 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 0.00 0.00 0.00 157 A 8.36 4.12 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 0.00 158 V 7.70 3.59 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 1.07 0.00 0.00 0.93 0.00 0.00 159 V 7.83 3.58 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 1.05 0.00 0.00 0.99 0.00 0.00 160 R 7.92 3.91 0.00 2.08 1.97 0.00 3.18 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 161 H 7.81 4.12 0.00 3.24 3.55 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.97 3.87 2.02 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 1.56 0.59 0.93 0.00 0.00 163 L 8.11 4.04 0.00 1.83 1.74 0.92 0.79 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 0.00 164 S 7.75 4.33 0.00 3.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.02 4.48 0.00 1.86 1.98 0.00 3.10 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 166 L 7.29 4.21 0.00 1.78 1.60 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 8.69 4.12 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.