NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2620 8.4445 119.1136 53.9094 29.6991 175.7821 4 L 3.8093 7.7246 119.6198 54.4423 41.4461 178.1780 5 T 4.2946 8.2176 116.9527 60.5819 70.3530 175.1059 6 E 3.9797 8.5885 122.1369 59.6534 29.0849 178.5023 7 E 3.9037 8.2969 120.6488 58.9474 29.3825 178.4601 8 Q 4.1014 7.5865 116.4606 58.4536 29.1429 177.8996 9 I 4.2982 8.6936 121.7934 63.9554 37.7188 177.4270 10 A 4.0676 8.1412 121.1339 55.6433 18.0376 179.1360 11 E 3.8628 7.8846 115.7357 59.6816 29.2698 179.4148 12 F 4.6914 7.9020 116.1182 59.2636 39.1041 176.2816 13 K 4.4527 7.8318 116.5473 58.1865 34.0079 177.5683 14 E 3.9983 8.7162 118.8544 59.7403 29.4005 179.7656 15 A 4.0294 8.6736 120.5418 55.2955 18.3566 179.3160 16 F 3.7077 7.5478 118.0768 61.4227 39.4268 177.4031 17 S 4.1335 8.9240 114.9693 61.5590 62.6861 176.1380 18 L 3.4072 7.4737 121.1945 57.4890 41.6381 177.5788 19 F 4.4576 7.6176 115.0926 57.0659 39.2000 175.7046 20 D 4.3805 8.3998 124.2034 51.8366 38.9599 175.8344 21 K 3.6284 7.7311 124.6132 59.5771 33.3056 177.5972 22 D 4.5522 8.2627 118.1840 59.2325 37.8775 179.0115 23 G 3.9790 6.8703 104.4627 47.6382 0.0000 174.8277 24 D 4.3413 10.0999 119.4233 53.3050 38.7238 176.0599 25 G 4.1130 7.3187 109.3742 44.4573 0.0000 172.6797 26 T 4.9696 8.1612 109.1274 59.3155 71.5653 173.1298 27 I 4.6787 8.1554 116.1574 58.7950 40.3826 176.5797 28 T 4.3528 9.1722 113.5215 61.8871 70.9858 174.8744 29 T 3.9466 8.2827 116.1336 67.1350 68.9218 176.9787 30 K 3.8893 8.0420 119.7477 59.7377 31.8332 179.0540 31 E 3.9923 8.5074 118.2943 59.0957 29.5201 178.9451 32 L 4.1009 7.7711 120.5404 58.3035 42.0632 179.1026 33 G 3.9551 8.0159 104.6028 48.5376 0.0000 175.1943 34 T 4.1389 7.7788 117.1714 65.6714 68.4583 177.1129 35 V 2.7864 7.5095 116.7849 64.3144 31.0877 177.4584 *37 R 5.0880 8.0728 115.9961 56.5659 31.9111 177.6028 38 S 3.8308 7.7945 111.2908 61.6020 62.6531 175.6444 39 L 4.0038 7.3887 117.7850 55.3425 41.1842 177.5778 40 G 3.8500 9.1112 108.3190 45.7358 0.0000 173.1175 41 Q 4.7665 7.2157 119.4615 55.0798 31.8184 173.9665 42 N 4.6717 7.9984 110.2536 52.2220 37.5231 172.4032 43 P 4.4688 0.0000 0.0000 62.9202 32.5696 176.7224 44 T 4.3027 8.2165 109.2653 60.9020 69.9420 175.7445 45 E 3.8288 8.7484 122.7817 59.5652 29.6854 178.6278 46 A 4.3597 7.8893 120.0831 53.7933 19.7137 178.4552 47 E 4.0960 8.3154 115.6310 58.4138 29.6637 178.1889 48 L 4.1308 7.8276 119.5882 58.0117 42.0917 178.3552 49 Q 4.2286 8.0026 118.3449 58.5878 27.7807 177.7449 50 D 4.2641 7.7325 120.2510 55.8941 42.0836 178.9014 *52 I 4.0230 7.9687 120.4246 61.1437 39.4753 176.9398 53 N 4.1401 9.0181 118.0584 56.6798 38.6808 174.3139 54 E 4.4720 7.3898 116.7047 55.9346 29.9020 177.1597 55 V 4.2334 8.2484 112.3567 61.2732 35.6396 174.4036 56 D 4.9826 8.6271 127.5768 53.7781 41.2601 176.0837 57 A 4.7077 7.9366 116.3439 52.3865 19.5906 177.5012 58 D 4.8497 8.2985 116.2991 55.2078 42.1067 176.0975 59 G 3.8842 8.3577 107.1387 45.8255 0.0000 173.7836 60 N 4.5163 8.4728 121.6002 55.3199 38.7588 175.4138 61 G 4.1663 10.8381 115.4949 45.3850 0.0000 173.1911 62 T 4.4819 7.7814 109.1908 61.6493 70.3541 172.1323 63 I 4.6554 8.2826 122.4986 59.5253 40.6136 175.3769 64 D 5.2177 8.1157 122.7679 52.5048 42.6473 176.2614 65 F 3.1763 9.4785 115.6422 60.5812 38.9638 175.6059 66 P 4.1728 0.0000 0.0000 66.0850 31.1215 178.7420 67 E 3.5331 10.1873 115.9059 59.0981 29.3516 179.0489 68 F 4.4663 7.2528 119.4566 60.4123 39.9151 176.7533 69 L 3.6881 8.1290 119.1730 57.5808 42.4721 177.7819 70 T 3.7855 8.0420 117.1607 62.8934 66.1058 174.1521 *73 A 4.1577 7.5674 127.0885 51.2261 20.9327 179.8824 74 R 3.6729 6.5963 114.1142 58.1271 31.4662 178.8075 75 K 4.3724 7.6820 117.9598 56.4021 32.8212 176.5204 *77 K 4.5033 7.8602 114.4913 55.2827 33.3833 174.7283 78 D 4.8044 8.0018 116.6355 55.5411 47.3800 175.0634 79 T 4.0003 7.0168 111.1081 62.7998 67.8791 174.2004 80 D 4.6850 8.4117 124.3016 54.4365 44.2187 177.3701 81 S 4.3038 8.3050 118.1611 61.3570 62.6395 175.6110 82 E 3.9378 8.3114 121.8444 59.1003 29.3993 178.3838 83 E 4.1418 8.0697 118.8499 59.1006 29.8252 177.9198 84 E 4.0038 8.2574 118.0740 59.9599 29.6310 179.3107 85 I 3.5016 7.8342 119.3319 64.7321 37.2030 178.2217 86 R 4.3882 8.3032 119.0278 58.7862 29.6858 177.9938 87 E 4.2125 8.1266 116.9506 58.3822 30.1540 177.9823 88 A 4.3490 9.0372 122.2289 55.2891 18.5242 179.0631 89 F 3.2003 8.4957 118.9299 61.6544 39.1961 177.5934 90 R 3.9037 7.9489 115.7270 58.8798 29.8314 179.1565 91 V 3.6644 7.4959 117.6471 66.1373 31.7371 177.9406 92 F 4.1674 8.2216 115.2073 59.0979 39.4244 176.2338 93 D 4.6119 7.5867 119.5830 52.5919 38.3212 176.4265 94 K 4.0964 8.2501 121.8671 58.1880 32.6144 177.7485 95 D 4.5962 7.7927 116.5801 52.7692 39.9911 177.2871 96 G 3.9186 8.3715 108.3907 45.9381 0.0000 174.1355 97 N 4.5368 8.2776 115.9450 53.0549 37.9326 176.1990 98 G 3.9671 8.9936 107.6153 45.5608 0.0000 172.6277 99 Y 5.1669 7.5951 115.1800 56.1176 42.2158 174.9282 100 I 4.7011 8.9531 123.1911 59.8324 39.4096 175.1317 101 S 4.8213 9.2427 122.6128 56.8165 64.9457 175.3123 102 A 4.0589 8.8823 123.0023 55.3981 17.9270 180.0678 103 A 3.9633 8.0054 119.0136 55.4225 18.6082 179.3864 104 E 4.1556 7.8337 114.1104 58.7793 29.6487 178.4931 105 L 4.1568 8.1673 122.0545 57.8505 42.3102 177.9860 106 R 4.0577 8.1123 118.6902 60.8228 30.1809 177.1763 107 H 4.2146 8.4190 117.9218 58.3364 29.4489 176.8519 108 V 3.3417 8.1076 122.2460 62.7721 31.6995 178.4483 *110 T 4.6114 7.8271 108.2288 61.6380 70.7606 175.5831 111 N 4.1882 7.6911 118.6483 56.0930 38.5502 175.8332 112 L 4.1603 7.4143 114.4851 55.1293 41.6584 177.0260 113 G 3.7621 9.2901 107.7619 46.2639 0.0000 173.2153 114 E 4.4586 8.0229 119.8232 53.5807 31.6191 174.7890 115 K 4.2086 8.7086 126.4277 56.0322 31.7433 176.1123 116 L 4.7181 8.1345 123.9762 52.7456 44.2208 176.4740 117 T 4.1149 8.3739 117.3440 61.5439 67.8609 174.8613 118 D 4.4169 8.8978 128.4462 57.6671 41.7063 178.5484 119 E 3.9499 8.2407 118.7951 59.5685 29.6534 179.0051 120 E 4.0859 8.1106 112.9023 57.4013 29.1485 177.3270 121 V 4.2147 7.9158 118.2456 64.7172 33.2191 177.6592 122 D 4.4198 7.5922 119.0985 57.2500 41.0938 178.1487 123 Q 4.3412 7.9577 118.9197 56.8768 28.8664 177.1503 *125 I 4.1148 7.7661 118.8857 61.3532 39.3636 177.8504 126 R 3.8393 7.8692 119.9877 59.4593 29.8939 178.0598 127 E 4.0590 8.0289 115.9298 57.8833 29.6533 176.8461 128 A 4.4318 7.4440 119.6384 52.8750 20.1097 176.4362 129 D 4.8292 7.8463 116.4293 53.7793 41.8253 175.6669 130 I 4.2660 8.9741 127.7993 62.5998 38.5824 176.5521 131 D 4.4638 8.3997 117.1149 53.6003 39.9209 177.1505 132 G 3.8974 8.4896 107.9735 46.1065 0.0000 172.9854 133 D 4.6445 8.2757 117.6383 52.8403 39.5157 178.7517 134 G 4.0421 8.9111 110.9241 46.0077 0.0000 173.7850 135 Q 4.8053 7.5825 115.8146 54.4875 31.7775 175.2826 136 V 4.8869 8.3755 112.4344 59.6860 34.5222 175.7843 137 N 5.1162 9.5555 123.4585 51.5068 39.8434 175.3978 138 Y 2.9295 8.1550 119.1526 60.9792 38.4271 177.6466 139 E 3.7125 8.0251 118.3081 59.5560 29.3365 178.7741 140 E 3.9285 9.8920 118.6114 59.6711 29.7499 179.2582 141 F 4.2366 8.3375 119.5986 61.5000 39.6060 176.7937 142 V 3.5595 8.0430 117.0601 65.6965 32.6473 177.6176 143 Q 4.1768 7.7661 118.5913 55.7870 24.0057 176.4354 *146 T 4.0481 7.4791 112.6145 61.3165 71.1573 175.3782 147 A 3.8081 7.7071 124.6795 52.0948 18.6344 177.2879 148 K 4.1206 8.5757 122.8880 56.5093 32.3302 175.7804 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 3 Q 8.44 4.26 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.72 3.81 0.00 1.73 1.53 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.22 4.29 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 1.26 0.00 0.00 6 E 8.59 3.98 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 2.38 2.39 0.00 7 E 8.30 3.90 0.00 2.07 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 2.39 2.40 0.00 8 Q 7.59 4.10 0.00 2.20 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 9 I 8.69 4.30 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 1.00 0.00 0.00 10 A 8.14 4.07 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 11 E 7.88 3.86 0.00 1.72 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 2.25 2.47 0.00 12 F 7.90 4.69 0.00 3.34 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.45 0.00 2.09 1.98 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.82 7.81 14 E 8.72 4.00 0.00 2.22 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 0.00 2.41 2.56 0.00 15 A 8.67 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.55 3.71 0.00 2.85 3.25 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 17 S 8.92 4.13 0.00 4.01 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 18 L 7.47 3.41 0.00 2.09 2.19 1.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.62 4.46 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 20 D 8.40 4.38 0.00 2.31 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 21 K 7.73 3.63 0.00 1.83 1.66 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.48 7.81 22 D 8.26 4.55 0.00 2.84 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 23 G 6.87 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 24 D 10.10 4.34 0.00 2.82 2.60 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 25 G 7.32 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 26 T 8.16 4.97 4.36 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 1.25 0.00 0.00 27 I 8.16 4.68 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 -0.05 0.00 0.00 28 T 9.17 4.35 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 29 T 8.28 3.95 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 1.22 0.00 0.00 30 K 8.04 3.89 0.00 1.83 1.87 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.60 7.81 31 E 8.51 3.99 0.00 1.91 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 2.45 2.28 0.00 32 L 7.77 4.10 0.00 1.86 1.86 1.10 1.27 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 33 G 8.02 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 34 T 7.78 4.14 4.41 0.00 0.00 0.00 0.00 0.00 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 35 V 7.51 2.79 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 0.89 0.00 0.00 0.69 0.00 0.00 *37 R 8.07 5.09 0.00 1.99 1.96 0.00 3.48 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 38 S 7.79 3.83 0.00 3.84 3.68 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 39 L 7.39 4.00 0.00 1.61 1.74 0.80 0.92 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 40 G 9.11 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 41 Q 7.22 4.77 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 42 N 8.00 4.67 0.00 2.77 2.78 0.00 0.00 5.93 7.75 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 43 P 0.00 4.47 0.00 2.21 2.12 0.00 3.77 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 2.00 1.98 0.00 44 T 8.22 4.30 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 1.24 0.00 0.00 45 E 8.75 3.83 0.00 1.98 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 0.00 2.33 2.36 0.00 46 A 7.89 4.36 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 E 8.32 4.10 0.00 1.94 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 2.33 2.31 0.00 48 L 7.83 4.13 0.00 1.87 1.80 0.95 0.59 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 49 Q 8.00 4.23 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 50 D 7.73 4.26 0.00 2.78 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 *52 I 7.97 4.02 1.92 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 1.33 1.41 1.01 0.00 0.00 53 N 9.02 4.14 0.00 2.52 2.98 0.00 0.00 7.34 7.53 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 54 E 7.39 4.47 0.00 2.28 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 2.31 2.31 0.00 55 V 8.25 4.23 2.44 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 0.63 0.00 0.00 1.07 0.00 0.00 56 D 8.63 4.98 0.00 2.62 2.84 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 57 A 7.94 4.71 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 8.30 4.85 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.36 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 60 N 8.47 4.52 0.00 2.71 2.80 0.00 0.00 7.34 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 61 G 10.84 4.17 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 0.00 0.00 0.00 62 T 7.78 4.48 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 1.28 0.00 0.00 63 I 8.28 4.66 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.98 0.00 0.00 64 D 8.12 5.22 0.00 3.09 3.02 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 0.00 0.00 0.00 65 F 9.48 3.18 0.00 2.95 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 66 P 0.00 4.17 0.00 2.30 2.08 0.00 4.02 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 67 E 10.19 3.53 0.00 2.23 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 0.00 2.41 2.75 0.00 68 F 7.25 4.47 0.00 2.78 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 69 L 8.13 3.69 0.00 1.66 1.72 0.69 1.05 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 70 T 8.04 3.79 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 1.15 0.00 0.00 *73 A 7.57 4.16 1.17 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 0.00 0.00 74 R 6.60 3.67 0.00 1.78 1.88 0.00 3.34 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 75 K 7.68 4.37 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 *77 K 7.86 4.50 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.48 7.81 78 D 8.00 4.80 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.02 4.00 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 1.34 0.00 0.00 80 D 8.41 4.68 0.00 2.72 2.60 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 81 S 8.31 4.30 0.00 4.07 4.15 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 0.00 0.00 0.00 82 E 8.31 3.94 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 83 E 8.07 4.14 0.00 2.23 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 2.31 2.41 0.00 84 E 8.26 4.00 0.00 2.29 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 2.45 2.53 0.00 85 I 7.83 3.50 2.00 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 1.46 0.99 1.11 0.00 0.00 86 R 8.30 4.39 0.00 1.98 2.17 0.00 2.94 0.00 0.00 2.86 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 87 E 8.13 4.21 0.00 2.18 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 2.32 2.68 0.00 88 A 9.04 4.35 1.69 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 89 F 8.50 3.20 0.00 2.86 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 90 R 7.95 3.90 0.00 1.89 2.01 0.00 3.22 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 91 V 7.50 3.66 2.39 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 0.60 0.00 0.00 0.99 0.00 0.00 92 F 8.22 4.17 0.00 2.68 3.03 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 93 D 7.59 4.61 0.00 2.14 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 0.00 0.00 0.00 94 K 8.25 4.10 0.00 2.00 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.56 7.81 95 D 7.79 4.60 0.00 2.97 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 96 G 8.37 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 0.00 0.00 0.00 97 N 8.28 4.54 0.00 3.07 3.05 0.00 0.00 6.29 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 8.99 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 99 Y 7.60 5.17 0.00 3.03 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 0.00 100 I 8.95 4.70 2.04 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.78 0.97 0.00 0.00 101 S 9.24 4.82 0.00 3.91 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 8.88 4.06 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 0.00 103 A 8.01 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.83 4.16 0.00 2.37 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 0.00 2.42 2.40 0.00 105 L 8.17 4.16 0.00 1.73 1.94 1.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.11 4.06 0.00 1.93 2.28 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 107 H 8.42 4.21 0.00 3.41 3.34 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 8.11 3.34 1.67 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 0.30 0.00 0.00 0.75 0.00 0.00 *110 T 7.83 4.61 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 1.32 0.00 0.00 111 N 7.69 4.19 0.00 2.58 2.86 0.00 0.00 7.09 7.75 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 0.00 112 L 7.41 4.16 0.00 1.65 1.69 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.29 3.76 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 0.00 0.00 0.00 114 E 8.02 4.46 0.00 2.03 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 2.28 2.36 0.00 115 K 8.71 4.21 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.13 4.72 0.00 1.63 1.58 0.97 0.95 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 0.00 117 T 8.37 4.11 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 1.26 0.00 0.00 118 D 8.90 4.42 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 0.00 119 E 8.24 3.95 0.00 2.08 1.97 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 2.33 2.43 0.00 120 E 8.11 4.09 0.00 2.01 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 2.35 2.26 0.00 121 V 7.92 4.21 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 1.08 0.00 0.00 0.97 0.00 0.00 122 D 7.59 4.42 0.00 2.92 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 0.00 123 Q 7.96 4.34 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 *125 I 7.77 4.11 1.90 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 1.48 1.54 0.98 0.00 0.00 126 R 7.87 3.84 0.00 2.07 2.04 0.00 3.10 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 127 E 8.03 4.06 0.00 2.00 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 2.31 2.25 0.00 128 A 7.44 4.43 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 0.00 129 D 7.85 4.83 0.00 2.85 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 0.00 130 I 8.97 4.27 1.88 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 1.35 0.91 0.91 0.00 0.00 131 D 8.40 4.46 0.00 2.80 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 0.00 132 G 8.49 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.28 4.64 0.00 2.79 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 0.00 134 G 8.91 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 0.00 0.00 0.00 135 Q 7.58 4.81 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 136 V 8.38 4.89 2.29 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 0.86 0.00 0.00 1.14 0.00 0.00 137 N 9.56 5.12 0.00 2.64 3.02 0.00 0.00 6.20 7.11 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 0.00 138 Y 8.16 2.93 0.00 2.10 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 0.00 139 E 8.03 3.71 0.00 2.20 1.88 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 2.37 2.39 0.00 140 E 9.89 3.93 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 141 F 8.34 4.24 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.04 3.56 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 0.73 0.00 0.00 -0.10 0.00 0.00 143 Q 7.77 4.18 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 *146 T 7.48 4.05 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 1.18 0.00 0.00 147 A 7.71 3.81 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 0.00 148 K 8.58 4.12 0.00 1.69 1.65 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.