NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3351 8.2649 123.5949 52.2056 19.7955 176.8289 2 N 4.7761 8.4261 118.0507 50.5606 40.0437 173.2196 3 K 4.0586 9.7427 129.0449 57.7717 31.3006 179.5256 4 G 3.9755 8.2935 101.8042 46.7993 0.0000 174.4292 5 F 4.8372 7.8981 123.4943 57.0068 42.3821 177.6794 6 L 4.7148 8.9750 126.5064 53.8378 43.7416 176.2217 *9 V 4.0748 8.1612 120.3546 62.6230 33.2401 176.0246 10 R 4.2887 7.7384 117.5018 54.7161 30.9447 175.9657 11 K 3.8280 8.6082 121.7291 56.7007 32.5940 176.8679 12 G 3.7103 8.3275 113.5494 45.6366 0.0000 172.8040 13 N 4.7232 8.2531 119.4990 51.6385 41.4952 175.3699 14 L 3.8423 8.4341 126.9021 55.6401 41.4192 177.8429 *16 R 4.1555 7.9700 114.7007 55.9192 31.3305 176.3925 *18 C 4.9450 8.0106 113.1204 57.1578 42.3182 173.9863 19 L 4.6223 7.6206 120.1419 53.5214 41.4382 174.4482 *22 P 4.5315 0.0000 0.0000 63.0783 32.6011 174.3543 23 C 5.0219 9.0783 113.1787 54.0655 44.7547 173.8485 24 S 4.6494 8.3152 115.1796 57.1594 64.1802 173.8858 25 R 2.6526 7.2604 122.5224 56.1901 28.0067 176.2573 *28 A 4.1686 8.0718 123.6252 51.7152 20.9580 179.5766 29 F 4.4307 8.7372 115.1103 58.2252 38.8053 176.3845 *31 A 4.3688 7.9507 121.1391 50.9138 21.0532 178.4085 32 L 4.4322 6.7910 114.4086 54.5719 41.7010 178.2221 *34 S 4.2482 8.3424 122.8737 59.0057 65.1655 174.1441 35 L 4.2544 8.3114 122.9246 58.0998 41.9572 178.9058 36 S 4.0788 8.0829 112.6980 61.3696 62.4110 175.8577 37 A 4.0885 8.3024 123.7092 55.4102 17.9972 179.7810 38 T 4.0155 8.1541 114.3311 66.9749 68.5777 176.6549 39 D 4.5084 8.9367 120.9284 57.2737 40.8496 178.7727 40 A 4.2520 7.9973 122.2343 54.7623 18.4387 179.4441 41 F 4.1357 8.6257 119.4496 61.2025 39.4565 177.0939 42 W 4.0595 8.8741 128.1633 60.3633 30.5195 177.7866 43 A 3.9326 8.1092 120.7771 55.0606 17.5796 179.8522 44 K 3.7589 7.6752 115.9500 59.4875 32.5353 178.6153 45 Y 3.6535 7.8419 120.3158 60.8495 38.5083 178.5153 46 T 3.5720 7.7181 110.6786 64.4505 68.6013 176.1812 47 A 4.0521 7.6272 122.3501 53.8591 18.6038 177.2803 48 C 4.6905 7.3299 113.3492 56.4113 40.9656 175.1483 49 E 3.5210 7.3604 123.1156 58.6800 29.0310 177.9102 50 S 4.7000 7.8230 110.5694 57.8517 63.3675 173.6122 51 A 4.7327 8.2387 122.7010 52.5657 19.4638 179.6011 52 R 3.9222 8.1752 121.0791 60.1069 30.4003 177.2634 53 N 4.9949 7.6813 113.2344 49.8650 42.4062 172.9854 54 P 4.5891 0.0000 0.0000 62.0820 33.9929 177.2022 55 R 3.9142 8.4511 116.4225 59.6757 29.8232 178.0408 56 E 3.9652 8.1291 118.0613 59.0427 29.4208 179.0782 57 K 3.9207 7.9122 119.3839 59.2724 32.3218 178.5123 58 L 4.2034 7.7060 121.8334 57.8130 41.9480 178.7218 59 N 4.3236 8.4973 116.8112 56.1220 38.5138 177.0866 60 E 3.8697 8.1354 120.6934 59.3306 29.5685 177.8793 61 C 4.1733 8.0137 117.1914 59.8842 43.7610 175.2919 62 L 3.9736 7.8954 119.2901 57.7487 41.2472 178.8072 63 E 4.0742 8.2873 118.8195 57.2165 29.7013 177.7460 64 G 3.9203 7.8043 104.9057 46.5161 0.0000 174.7081 65 N 4.4792 8.1411 116.5093 54.3989 38.9195 173.6050 66 C 5.4130 7.8227 111.3527 53.3953 44.0690 173.1073 67 A 4.7930 9.0886 122.3698 51.1233 20.1289 175.7887 68 E 4.6385 9.6846 124.5557 54.1713 31.8265 175.4063 69 G 3.8734 8.8325 116.1416 47.2953 0.0000 174.7690 70 V 3.8554 8.5461 125.9952 62.4422 31.5724 176.4323 71 G 3.7921 8.4797 107.3649 46.8432 0.0000 175.6485 72 M 4.2149 8.0583 120.4250 57.5807 32.3001 176.9870 73 N 4.5362 8.0257 114.6656 53.2638 38.2730 174.1526 74 Y 4.3196 7.9455 122.0951 58.0851 39.1731 175.3048 75 R 4.3194 7.9859 125.3866 55.6590 31.8832 176.0227 76 G 3.4152 5.3800 107.8863 45.0829 0.0000 173.7984 77 N 3.4122 8.0742 115.6466 52.2079 39.1941 175.5941 78 V 3.8330 7.7972 120.0679 63.3815 32.1841 176.3371 79 S 5.2341 8.6171 120.0003 56.8151 63.7808 173.2588 80 V 4.8727 7.7497 118.7256 61.8588 34.5994 174.9568 81 T 4.3816 8.6405 116.7285 60.8339 69.5452 175.7278 82 R 3.9231 8.7250 119.3969 59.0347 29.3335 177.7638 83 S 4.3866 7.9395 110.9709 58.1121 63.1719 174.7094 84 G 3.8982 8.2054 108.7601 45.9902 0.0000 173.5795 85 I 4.1002 7.8835 121.2131 59.9514 38.2193 174.9949 86 E 4.3619 8.6046 126.1184 56.2307 30.5915 176.7258 87 C 4.9046 8.7245 124.6460 57.1267 40.9551 173.4086 88 Q 4.3619 8.7785 124.0006 55.3444 29.9234 175.7289 89 L 4.2044 8.2845 124.4337 54.2180 42.4035 178.4557 90 W 4.2647 8.6676 123.7767 59.6986 29.1270 177.7528 91 R 4.1920 7.9748 112.8204 57.5601 29.6167 176.6882 92 S 4.3966 7.6694 113.6551 58.2975 62.9375 173.5186 93 R 4.4162 8.2397 123.2750 55.6996 30.2154 175.5557 94 Y 4.8012 7.5473 114.8551 55.9852 41.8562 173.5412 95 P 4.5998 0.0000 0.0000 63.8165 31.9439 175.7239 96 H 4.7172 8.0968 116.1110 53.8769 31.7884 173.3599 97 K 4.0039 8.2925 124.5445 54.0325 31.4872 174.4574 98 P 3.6751 0.0000 0.0000 62.7659 31.5456 176.6075 99 E 4.4149 8.9430 119.7383 56.5294 30.5857 175.8102 100 I 4.6882 7.9376 121.4199 59.6149 39.4407 174.5375 101 N 4.9661 9.6705 122.6956 52.2170 39.4881 174.5636 102 S 4.1348 8.9456 112.7169 62.6163 63.1167 177.1100 103 T 4.0504 8.1405 115.7666 66.5178 68.5896 176.1597 104 T 4.1338 8.2922 110.6534 64.3576 69.3840 174.5849 105 H 4.8408 8.6118 119.3809 52.9929 29.3720 170.6245 106 P 4.5048 0.0000 0.0000 63.0237 32.6113 177.6343 107 G 3.9960 8.9605 108.4178 45.6731 0.0000 174.8425 108 A 4.0604 7.3894 120.6293 52.3002 19.0442 176.3696 109 D 4.2755 7.8169 114.0080 55.2326 39.4609 175.8573 110 L 3.4072 7.2480 118.8019 53.5482 40.1895 176.7933 111 R 4.6599 7.5953 118.0113 55.0246 33.3819 179.1782 112 E 3.5007 7.9534 119.2568 57.6672 29.4810 176.2728 113 N 5.1025 7.7811 121.7555 53.2121 37.5841 173.5463 114 F 5.2839 8.1207 117.5655 58.4430 39.9467 175.6885 115 C 4.8778 9.5148 121.4108 57.8427 38.1642 173.3479 116 R 4.7516 9.1538 120.4964 54.7795 34.7109 173.9554 117 N 5.0390 8.1735 117.7505 51.1944 38.7621 173.0170 118 P 4.2013 0.0000 0.0000 65.0284 32.0341 177.8349 119 D 4.7769 8.5283 115.6951 52.3048 39.6250 176.0854 120 G 3.9713 8.0023 106.7665 46.7186 0.0000 174.6565 121 S 4.1785 8.6014 115.2655 58.2096 63.3365 175.8203 122 I 3.7557 8.3790 124.7348 63.6804 37.9384 176.3509 123 T 4.2246 7.8973 108.6116 61.2886 68.8557 174.7425 124 G 4.3347 8.1304 109.0547 43.6075 0.0000 171.3226 125 P 4.5163 0.0000 0.0000 63.3446 32.3934 176.0587 126 W 5.5947 8.8767 119.9595 56.1015 32.4057 170.6398 127 C 4.5041 8.9067 112.1209 54.3080 40.5723 173.2019 128 Y 4.8174 7.7460 117.8080 58.3776 38.7363 174.9549 129 T 4.9705 8.5111 113.2159 60.2248 71.0131 174.7984 130 T 4.2038 8.5265 112.5114 62.8968 69.6969 174.5149 131 S 4.3622 8.2672 119.5266 57.2821 62.8298 173.0766 132 P 4.2743 0.0000 0.0000 65.3311 31.2264 177.1263 133 T 4.2740 7.4459 104.8970 61.4332 69.1701 174.5379 134 L 4.5278 7.7560 123.8058 53.0560 43.4201 175.6270 135 R 3.6530 8.6159 127.0937 58.7132 30.6372 176.0464 136 R 5.2009 7.5884 111.8435 55.0233 32.8160 173.2963 137 E 4.7441 8.7717 119.2903 55.0453 33.6580 174.4035 138 E 4.8308 8.8664 124.1518 56.7483 31.2455 176.1283 139 C 5.3167 9.0009 118.7719 55.4896 43.8179 174.0435 140 S 4.6121 8.4983 115.9517 57.0398 63.1364 174.0605 141 V 4.4294 7.7516 124.4540 59.9117 34.6428 173.4046 142 P 4.4979 0.0000 0.0000 62.9517 32.5239 175.5561 143 V 4.3890 8.3694 122.8605 61.9854 33.2532 174.7855 144 C 4.4050 8.9457 125.7061 58.2692 40.3381 174.3076 145 G 3.8895 8.8186 112.4719 45.3821 0.0000 173.9659 146 Q 3.4378 7.4309 112.1790 59.2336 28.0563 177.2842 147 D 4.5285 8.6305 119.8028 53.7261 41.1808 176.3408 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 1 A 8.26 4.34 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 2 N 8.43 4.78 0.00 2.80 2.79 0.00 0.00 6.88 6.73 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 3 K 9.74 4.06 0.00 1.80 1.44 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.59 7.81 4 G 8.29 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 5 F 7.90 4.84 0.00 2.99 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 0.00 0.00 0.00 6 L 8.98 4.71 0.00 1.65 1.59 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *9 V 8.16 4.07 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 0.80 0.00 0.00 0.97 0.00 0.00 10 R 7.74 4.29 0.00 1.84 1.83 0.00 3.29 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 11 K 8.61 3.83 0.00 1.69 1.71 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 12 G 8.33 3.71 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 0.00 0.00 0.00 13 N 8.25 4.72 0.00 2.60 2.64 0.00 0.00 6.97 7.78 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 14 L 8.43 3.84 0.00 1.56 1.47 0.04 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 *16 R 7.97 4.16 0.00 1.84 1.96 0.00 3.33 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 *18 C 8.01 4.95 0.00 3.25 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 19 L 7.62 4.62 0.00 1.73 1.74 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *22 P 0.00 4.53 0.00 2.37 2.21 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 23 C 9.08 5.02 0.00 3.10 3.15 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 24 S 8.32 4.65 0.00 3.92 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 25 R 7.26 2.65 0.00 0.67 1.19 0.00 2.34 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.00 *28 A 8.07 4.17 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 0.00 0.00 0.00 0.00 0.00 29 F 8.74 4.43 0.00 3.08 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 *31 A 7.95 4.37 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 32 L 6.79 4.43 0.00 1.52 1.04 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *34 S 8.34 4.25 0.00 4.09 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.31 4.25 0.00 1.94 1.79 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.08 4.08 0.00 3.96 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 37 A 8.30 4.09 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 38 T 8.15 4.02 4.62 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 1.41 0.00 0.00 39 D 8.94 4.51 0.00 2.71 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 40 A 8.00 4.25 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 0.00 0.00 41 F 8.63 4.14 0.00 3.26 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 42 W 8.87 4.06 0.00 3.64 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 43 A 8.11 3.93 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 44 K 7.68 3.76 0.00 1.67 1.72 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.51 7.81 45 Y 7.84 3.65 0.00 1.85 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 0.00 0.00 0.00 46 T 7.72 3.57 4.02 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 0.41 0.00 0.00 47 A 7.63 4.05 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 48 C 7.33 4.69 0.00 2.74 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 49 E 7.36 3.52 0.00 1.90 1.87 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 2.22 1.95 0.00 50 S 7.82 4.70 0.00 3.94 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 51 A 8.24 4.73 1.22 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 0.00 0.00 0.00 52 R 8.18 3.92 0.00 1.76 1.96 0.00 3.12 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 53 N 7.68 4.99 0.00 2.61 2.65 0.00 0.00 6.93 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 54 P 0.00 4.59 0.00 2.50 2.20 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 55 R 8.45 3.91 0.00 1.95 1.97 0.00 3.24 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 56 E 8.13 3.97 0.00 2.09 1.98 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 2.40 2.42 0.00 57 K 7.91 3.92 0.00 1.80 1.94 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 58 L 7.71 4.20 0.00 2.07 1.78 0.80 0.50 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 59 N 8.50 4.32 0.00 2.92 2.85 0.00 0.00 6.70 7.54 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 60 E 8.14 3.87 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 61 C 8.01 4.17 0.00 3.04 3.21 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 62 L 7.90 3.97 0.00 1.65 1.73 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.29 4.07 0.00 1.99 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 0.00 2.30 2.32 0.00 64 G 7.80 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 65 N 8.14 4.48 0.00 2.72 2.88 0.00 0.00 6.84 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 66 C 7.82 5.41 0.00 3.02 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 67 A 9.09 4.79 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 68 E 9.68 4.64 0.00 2.03 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 2.16 2.24 0.00 69 G 8.83 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 70 V 8.55 3.86 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 1.08 0.00 0.00 1.01 0.00 0.00 71 G 8.48 3.79 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 0.00 72 M 8.06 4.21 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.82 0.00 73 N 8.03 4.54 0.00 2.94 3.00 0.00 0.00 5.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.95 4.32 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 4.32 0.00 1.52 1.66 0.00 3.45 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 76 G 5.38 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.07 3.41 0.00 2.43 2.45 0.00 0.00 6.73 7.68 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 78 V 7.80 3.83 2.19 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 0.87 0.00 0.00 0.99 0.00 0.00 79 S 8.62 5.23 0.00 4.34 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 0.00 80 V 7.75 4.87 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 0.95 0.00 0.00 0.97 0.00 0.00 81 T 8.64 4.38 4.46 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 1.33 0.00 0.00 82 R 8.73 3.92 0.00 1.91 2.11 0.00 3.06 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 83 S 7.94 4.39 0.00 4.00 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 84 G 8.21 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 85 I 7.88 4.10 1.89 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 1.20 0.73 0.93 0.00 0.00 86 E 8.60 4.36 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 87 C 8.72 4.90 0.00 3.04 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 88 Q 8.78 4.36 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 89 L 8.28 4.20 0.00 1.73 1.57 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.67 4.26 0.00 3.28 3.31 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 0.00 0.00 0.00 91 R 7.97 4.19 0.00 1.96 2.12 0.00 3.05 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 92 S 7.67 4.40 0.00 3.90 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 93 R 8.24 4.42 0.00 1.21 1.25 0.00 3.24 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 94 Y 7.55 4.80 0.00 2.88 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 P 0.00 4.60 0.00 2.02 2.13 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 96 H 8.10 4.72 0.00 3.11 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.29 4.00 0.00 1.52 1.64 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.29 7.81 98 P 0.00 3.68 0.00 2.03 1.84 0.00 3.52 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.35 0.00 99 E 8.94 4.41 0.00 2.14 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 0.00 2.37 2.35 0.00 100 I 7.94 4.69 2.47 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.93 0.00 0.00 101 N 9.67 4.97 0.00 2.92 3.03 0.00 0.00 6.56 5.12 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 0.00 102 S 8.95 4.13 0.00 3.92 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 0.00 103 T 8.14 4.05 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 1.23 0.00 0.00 104 T 8.29 4.13 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 1.39 0.00 0.00 105 H 8.61 4.84 0.00 3.07 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.50 0.00 2.37 2.14 0.00 3.37 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 107 G 8.96 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 0.00 108 A 7.39 4.06 1.20 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 0.00 0.00 109 D 7.82 4.28 0.00 2.71 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 0.00 110 L 7.25 3.41 0.00 1.33 0.67 0.55 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.60 4.66 0.00 1.97 2.05 0.00 3.46 0.00 0.00 4.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 112 E 7.95 3.50 0.00 1.16 1.12 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 2.16 2.05 0.00 113 N 7.78 5.10 0.00 2.88 2.84 0.00 0.00 5.99 8.12 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 0.00 114 F 8.12 5.28 0.00 3.14 3.11 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 0.00 115 C 9.51 4.88 0.00 2.95 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 0.00 116 R 9.15 4.75 0.00 1.19 1.44 0.00 3.37 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 117 N 8.17 5.04 0.00 2.83 2.71 0.00 0.00 6.65 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 0.00 118 P 0.00 4.20 0.00 2.04 1.88 0.00 3.47 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.47 0.00 119 D 8.53 4.78 0.00 2.90 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 0.00 120 G 8.00 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 0.00 121 S 8.60 4.18 0.00 3.97 3.71 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 0.00 122 I 8.38 3.76 1.86 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 1.46 0.74 0.89 0.00 0.00 123 T 7.90 4.22 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 1.19 0.00 0.00 124 G 8.13 4.33 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 0.00 125 P 0.00 4.52 0.00 1.90 1.96 0.00 3.50 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.25 0.00 126 W 8.88 5.59 0.00 3.42 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.91 4.50 0.00 2.50 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 0.00 128 Y 7.75 4.82 0.00 2.81 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 0.00 129 T 8.51 4.97 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 1.26 0.00 0.00 130 T 8.53 4.20 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 1.27 0.00 0.00 131 S 8.27 4.36 0.00 3.92 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 0.00 132 P 0.00 4.27 0.00 2.09 2.10 0.00 3.73 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 2.03 2.07 0.00 133 T 7.45 4.27 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 1.23 0.00 0.00 134 L 7.76 4.53 0.00 1.61 1.61 0.92 0.93 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 0.00 135 R 8.62 3.65 0.00 1.86 1.86 0.00 3.24 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 136 R 7.59 5.20 0.00 1.70 1.57 0.00 2.21 0.00 0.00 2.62 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.27 0.00 137 E 8.77 4.74 0.00 2.06 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 138 E 8.87 4.83 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 2.59 2.43 0.00 139 C 9.00 5.32 0.00 2.75 3.06 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 0.00 140 S 8.50 4.61 0.00 3.81 3.77 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 0.00 141 V 7.75 4.43 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 0.04 0.00 0.00 0.25 0.00 0.00 142 P 0.00 4.50 0.00 2.13 1.96 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 143 V 8.37 4.39 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 0.93 0.00 0.00 0.91 0.00 0.00 144 C 8.95 4.41 0.00 3.12 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 0.00 145 G 8.82 3.89 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 0.00 0.00 0.00 146 Q 7.43 3.44 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 147 D 8.63 4.53 0.00 2.66 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 * Residues marked with a * may have inaccurate shift predictions.