NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 3.9531 8.1631 112.8174 61.3114 70.8489 172.0911 7 G 3.9551 7.8464 108.9141 43.5746 0.0000 170.7180 8 K 5.4637 9.6552 121.5883 54.6989 36.7530 173.8750 9 A 5.4178 9.6823 124.5098 50.4124 22.7955 175.2460 10 L 4.6211 8.2178 122.9630 52.0647 45.7571 174.6805 *12 V 4.1879 8.0382 117.6618 62.8621 32.5601 174.4819 13 L 5.0430 8.6186 127.4183 53.1682 44.2994 176.5711 14 G 4.2019 8.4592 109.3021 44.5671 0.0000 172.9122 15 C 4.2810 8.5612 114.9056 57.4924 29.9672 171.5503 16 P 4.7598 0.0000 0.0000 62.2348 31.4380 174.5928 17 E 4.4412 8.7398 120.6950 57.6804 32.2672 176.5171 18 S 4.2177 7.9394 113.4436 57.0212 63.0765 173.0355 19 P 4.2607 0.0000 0.0000 65.4845 31.5302 178.6089 20 V 3.6963 7.3651 110.0969 63.6653 31.2714 177.6947 21 Q 3.5823 7.6804 120.3119 58.9176 28.8382 178.0087 22 I 3.4866 7.4791 119.7451 64.0232 37.2767 176.4762 23 P 4.1812 0.0000 0.0000 65.7507 31.1377 178.7424 24 L 4.0117 7.9121 117.3368 57.3779 41.3833 179.4391 25 A 3.7923 7.8730 121.3952 55.1137 18.1957 179.7795 26 I 3.6368 7.7703 118.3241 64.6393 37.2048 177.9597 27 Y 3.8634 8.1616 120.5029 61.0726 38.5512 178.4733 28 T 3.9692 8.5381 117.0160 66.5596 68.5003 176.7177 29 S 4.1059 8.3438 115.2455 61.6430 62.4466 175.5769 30 H 4.2007 8.4973 121.2622 59.3433 29.3298 177.2445 31 K 3.7541 7.6106 118.9375 59.4593 32.1197 179.0081 32 L 4.1761 8.0943 119.2294 57.7577 41.5109 179.7094 33 K 4.5504 8.3047 120.0142 58.8093 31.8036 178.8717 34 K 4.2841 7.8938 116.1133 57.3923 32.0644 178.0975 35 K 4.4686 8.0305 118.1951 55.8754 32.7715 176.8102 36 G 3.9436 8.1314 108.6487 44.9174 0.0000 174.4923 37 F 4.6143 8.0266 118.3726 57.5937 40.6858 174.0022 38 R 4.9057 9.1408 122.4889 54.8713 32.2113 175.0154 39 V 5.1007 9.1802 119.9652 59.9948 34.2759 174.7119 40 T 5.0159 9.1613 121.5752 61.8710 70.9478 173.3861 41 V 4.4071 8.6918 126.9888 61.5302 33.0109 174.8471 42 T 5.2475 8.1829 120.9979 59.4352 70.3931 172.3049 43 A 4.3986 8.0271 128.4938 51.1774 23.1619 174.7511 44 N 4.4913 8.3725 116.6423 51.8025 38.6254 174.4109 45 P 4.1633 0.0000 0.0000 65.8837 31.2233 178.6825 46 A 3.9549 7.9984 118.4576 55.0586 18.3693 179.2092 47 A 3.8926 8.2854 119.1497 55.4996 18.5050 179.8758 48 L 3.9413 7.8162 117.2786 57.9811 41.6457 180.1024 49 R 3.9386 8.0282 118.0839 59.2126 30.0001 179.0083 50 L 4.0032 8.3287 119.2704 57.7480 41.5749 179.8533 51 V 3.5731 7.7555 118.1460 66.1041 31.3769 178.1549 52 Q 4.0280 8.2145 117.8264 59.0195 28.2959 179.0949 53 V 3.7311 7.7697 112.2262 63.7973 31.7886 178.1439 54 A 4.2524 7.9297 119.8652 53.5165 19.8604 177.1175 55 D 4.8684 7.9777 116.5270 51.3701 41.0959 173.8531 56 P 4.5196 0.0000 0.0000 64.6752 31.6374 177.9604 57 E 4.2122 8.1623 115.3337 55.4391 30.1057 175.6302 58 G 3.8705 7.8679 106.8507 46.7304 0.0000 175.0237 59 I 3.8619 7.9364 119.8080 62.5654 37.9520 176.9327 60 Y 4.7558 8.3589 115.8997 58.0777 38.5005 175.1556 61 T 4.8093 7.5498 113.0440 60.4082 70.7418 172.5424 62 D 4.8324 8.1946 123.8777 55.2301 43.1803 175.5708 63 E 4.6715 7.5406 117.4999 55.5406 33.2805 173.7621 *65 V 4.1726 8.1438 117.2768 61.3876 33.1668 174.6331 66 D 4.7502 8.6663 123.3128 54.6659 42.1134 176.4997 67 L 4.1157 8.3300 127.0498 57.6719 41.7561 180.1141 68 E 4.0961 8.2712 117.4159 59.6043 29.3389 179.5502 69 S 4.2064 8.2496 114.9885 61.6451 62.8736 176.2922 70 C 4.2304 8.4086 121.5441 62.5977 31.1190 175.6998 71 I 3.9460 7.9566 120.5651 64.3988 36.7289 177.7497 72 N 4.6009 8.2081 116.2067 54.7267 38.5946 175.3158 73 E 4.5820 7.6392 118.5153 55.4523 31.2749 175.6910 74 L 4.4163 7.9570 120.2927 55.6189 43.0882 175.5785 75 A 4.7594 8.7734 126.3488 50.0651 22.4783 175.2380 76 E 4.2071 8.6399 120.7481 58.0447 29.9768 177.5415 77 G 4.0487 9.0298 113.9011 45.4209 0.0000 173.8451 78 D 4.3697 7.7127 118.4179 56.3612 41.2008 176.1345 79 Y 4.9479 7.6042 114.8888 56.5517 41.8927 174.2914 80 E 4.7572 9.2449 119.6408 55.7895 31.4931 175.1138 81 F 5.1516 8.1116 122.7865 56.7028 43.4706 172.4899 82 L 4.8204 7.7107 126.5315 52.9928 45.0758 174.7136 83 A 4.8120 8.8291 128.1687 49.8927 21.7243 175.3422 84 G 4.1303 9.0110 109.7773 44.3167 0.0000 171.7599 85 F 4.8231 9.3619 124.8481 57.1055 39.9204 176.4003 86 V 4.4588 9.3900 123.7128 60.5545 31.6911 173.7345 87 P 4.0099 0.0000 0.0000 61.8778 32.2671 176.1862 88 N 4.4476 7.3353 116.0755 51.2389 40.6518 174.4765 89 D 4.3123 8.4624 119.3537 57.6755 40.7450 178.9017 90 A 3.9685 8.0517 120.2132 55.2608 18.4254 179.3925 91 A 4.0901 8.6918 119.1829 55.1559 18.4115 179.6698 92 A 3.9100 8.2907 119.2380 55.3853 18.4751 179.6584 93 A 3.8807 8.1665 119.3240 55.5340 18.3862 179.5164 94 Y 3.7828 7.8635 114.8223 61.0799 37.9022 178.4576 95 L 4.2473 8.1143 121.3125 58.0721 42.1568 179.1997 96 V 3.5697 8.0086 118.2913 66.2492 31.3892 178.0575 97 T 3.7559 7.8934 115.4076 66.8318 68.3272 176.6139 98 F 4.3648 8.4719 119.6556 60.5484 38.8209 177.6639 99 A 4.1646 8.6696 121.1053 55.0943 17.9543 179.9395 100 G 3.5876 8.0931 103.4353 47.8231 0.0000 175.8686 101 I 3.9673 7.4108 121.0859 64.3666 37.3381 178.2134 102 L 4.1511 8.0045 118.4851 55.4822 42.3965 176.7952 103 N 4.1151 8.4992 116.1104 55.0429 37.5468 171.3834 104 T 4.7812 7.1261 111.5155 60.1387 72.5060 171.9389 105 E 4.3076 8.9715 122.5604 57.2239 30.5961 176.1086 106 T 4.9192 8.6340 123.0218 61.5374 72.5807 172.7360 107 L 5.0634 8.6242 126.3417 53.1843 45.5215 174.6726 108 A 4.9712 8.8140 128.1935 50.2349 21.6524 175.2269 109 I 4.5405 8.7028 124.4886 59.7902 39.2162 174.5844 110 I 4.9760 9.1593 129.0869 59.0312 39.3188 175.1911 111 F 5.6659 7.5228 118.7840 56.7848 41.0386 172.3325 112 D 4.4042 8.2714 118.6627 54.3717 43.7855 176.9902 113 R 4.0392 8.9343 121.2077 58.0542 30.8140 176.9418 114 D 4.6154 8.4286 118.4041 53.0209 42.2140 176.6979 115 A 4.0466 8.6371 129.2330 55.2574 18.3817 179.0358 116 D 4.2530 8.8500 117.9700 57.5690 40.9071 179.0220 117 V 3.7227 7.8846 118.1952 66.0173 31.5351 177.8301 118 L 3.9459 7.9020 118.6846 57.7191 41.4155 179.0369 119 E 3.9098 8.3439 119.2832 59.3346 29.5912 178.6855 120 E 3.9473 8.3295 118.5913 59.5508 29.6795 179.4456 121 L 3.9912 8.0701 119.0113 57.5572 41.3999 179.7588 122 V 3.5458 8.1268 117.6140 66.0440 31.6051 177.3153 123 N 4.4243 8.1641 115.1169 56.4869 38.7751 176.3565 124 E 4.1240 8.1616 120.3211 59.4683 29.5940 179.3921 125 I 3.8769 7.4820 117.6278 61.8698 37.1089 177.6251 *127 E 4.4401 8.1723 120.1841 56.1205 31.4445 176.6586 128 T 4.3974 7.5597 112.3387 64.1056 70.5064 174.4043 129 L 4.6873 8.0563 119.2088 52.9470 44.1119 176.3054 130 D 4.6556 8.2911 120.7106 52.8794 40.1052 174.8507 131 A 4.8413 7.7099 124.4330 50.1922 22.4367 175.4513 132 E 4.2757 8.9966 120.9474 56.3913 30.9680 176.0153 133 I 4.9119 8.3373 123.4561 59.5422 40.2809 174.8835 134 I 4.6506 8.6565 126.7335 59.4044 40.2337 174.5234 135 A 5.7434 8.8014 127.1313 49.8175 22.2755 174.8953 136 A 4.6612 8.5140 122.2051 50.4811 23.3546 175.6565 137 R 5.0952 8.8922 119.0109 55.1212 30.3430 175.9073 138 A 4.6420 8.3583 124.5158 51.4123 21.8089 173.9936 139 H 4.6532 9.0970 118.9109 57.7475 31.8384 174.8484 140 H 4.6507 7.9770 112.9897 55.8299 30.6310 173.9357 141 N 4.6939 8.0598 118.0878 51.6871 39.1097 173.3246 142 P 4.3371 0.0000 0.0000 64.1389 31.7501 177.6161 143 A 3.8719 8.1392 121.7933 55.1607 18.0716 177.4495 144 P 4.1729 0.0000 0.0000 65.9957 31.3663 178.8956 145 L 3.9743 7.7517 116.9499 57.5808 41.5504 179.2684 146 R 3.6917 8.1453 119.0575 59.2836 29.9249 178.7265 147 V 3.5715 7.8483 117.9718 66.2578 31.5769 178.2988 148 R 3.9826 7.7688 117.8251 59.1954 29.5950 179.2428 149 I 3.8353 7.9501 119.4396 64.3134 37.2114 177.6313 150 D 4.6772 8.3071 119.0939 57.5787 40.7849 178.8645 151 R 4.1610 7.9630 116.9778 59.2424 30.2587 179.9398 152 F 4.1343 8.1916 118.1547 59.1738 39.4782 176.4116 *154 E 4.1905 8.1567 117.8376 55.0496 30.7327 175.2252 155 E 4.2985 6.8660 115.3370 56.6451 32.1561 176.1877 156 K 3.6991 7.4590 120.2398 56.1809 33.1622 175.4514 157 P 4.3583 0.0000 0.0000 63.0292 31.3331 176.1028 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 6 T 8.16 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 1.21 0.00 0.00 7 G 7.85 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 8 K 9.66 5.46 0.00 1.66 1.82 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.36 7.81 9 A 9.68 5.42 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 10 L 8.22 4.62 0.00 0.27 0.90 0.47 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 *12 V 8.04 4.19 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 1.09 0.00 0.00 0.51 0.00 0.00 13 L 8.62 5.04 0.00 1.50 1.47 0.79 0.54 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 14 G 8.46 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 0.00 0.00 0.00 15 C 8.56 4.28 0.00 3.10 2.97 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 16 P 0.00 4.76 0.00 2.19 2.10 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 17 E 8.74 4.44 0.00 1.95 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 2.21 2.27 0.00 18 S 7.94 4.22 0.00 3.98 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 19 P 0.00 4.26 0.00 2.04 2.08 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 20 V 7.37 3.70 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 0.90 0.00 0.00 0.58 0.00 0.00 21 Q 7.68 3.58 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 22 I 7.48 3.49 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.85 0.00 0.00 23 P 0.00 4.18 0.00 2.05 2.03 0.00 3.53 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 2.20 2.12 0.00 24 L 7.91 4.01 0.00 1.79 1.86 0.74 0.63 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 25 A 7.87 3.79 0.97 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 26 I 7.77 3.64 1.94 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 1.43 0.76 0.77 0.00 0.00 27 Y 8.16 3.86 0.00 3.01 3.10 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 28 T 8.54 3.97 4.60 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 1.29 0.00 0.00 29 S 8.34 4.11 0.00 3.99 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 30 H 8.50 4.20 0.00 3.08 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.61 3.75 0.00 1.90 1.79 0.00 1.57 0.00 0.00 1.26 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.07 1.46 7.81 32 L 8.09 4.18 0.00 1.89 1.69 0.97 0.28 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 33 K 8.30 4.55 0.00 2.00 1.91 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.65 7.81 34 K 7.89 4.28 0.00 1.78 1.80 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 35 K 8.03 4.47 0.00 2.11 1.87 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.60 7.81 36 G 8.13 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 37 F 8.03 4.61 0.00 3.19 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 38 R 9.14 4.91 0.00 1.93 1.87 0.00 3.08 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 39 V 9.18 5.10 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 0.87 0.00 0.00 0.97 0.00 0.00 40 T 9.16 5.02 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 V 8.69 4.41 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 0.66 0.00 0.00 0.92 0.00 0.00 42 T 8.18 5.25 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 0.71 0.00 0.00 43 A 8.03 4.40 1.15 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 0.00 0.00 44 N 8.37 4.49 0.00 2.95 2.94 0.00 0.00 5.93 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 45 P 0.00 4.16 0.00 2.17 2.15 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 2.17 0.00 46 A 8.00 3.95 1.31 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 0.00 0.00 47 A 8.29 3.89 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 48 L 7.82 3.94 0.00 1.84 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.03 3.94 0.00 2.02 1.97 0.00 3.13 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 1.92 0.00 50 L 8.33 4.00 0.00 1.80 1.69 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.76 3.57 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 1.03 0.00 0.00 0.88 0.00 0.00 52 Q 8.21 4.03 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 53 V 7.77 3.73 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 0.74 0.00 0.00 1.01 0.00 0.00 54 A 7.93 4.25 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 55 D 7.98 4.87 0.00 2.90 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 56 P 0.00 4.52 0.00 2.21 2.19 0.00 3.44 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 57 E 8.16 4.21 0.00 1.91 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 2.24 2.20 0.00 58 G 7.87 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 59 I 7.94 3.86 1.25 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.45 0.32 0.00 0.00 60 Y 8.36 4.76 0.00 3.09 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 61 T 7.55 4.81 4.30 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 1.23 0.00 0.00 62 D 8.19 4.83 0.00 2.91 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 63 E 7.54 4.67 0.00 2.04 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 2.28 2.29 0.00 *65 V 8.14 4.17 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 0.68 0.00 0.00 0.99 0.00 0.00 66 D 8.67 4.75 0.00 2.75 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 67 L 8.33 4.12 0.00 1.60 1.49 0.41 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.27 4.10 0.00 2.03 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 2.51 2.42 0.00 69 S 8.25 4.21 0.00 4.02 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 70 C 8.41 4.23 0.00 3.10 3.27 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 71 I 7.96 3.95 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.91 0.00 0.00 72 N 8.21 4.60 0.00 2.97 2.91 0.00 0.00 6.76 6.94 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 73 E 7.64 4.58 0.00 2.01 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 2.24 2.23 0.00 74 L 7.96 4.42 0.00 2.11 1.73 1.23 1.13 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 75 A 8.77 4.76 1.26 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 0.00 0.00 76 E 8.64 4.21 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 77 G 9.03 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 0.00 0.00 0.00 78 D 7.71 4.37 0.00 2.85 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 79 Y 7.60 4.95 0.00 2.95 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 80 E 9.24 4.76 0.00 2.25 2.32 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 2.81 2.61 0.00 81 F 8.11 5.15 0.00 3.01 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.82 0.00 1.56 1.15 0.72 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.83 4.81 1.07 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 0.00 0.00 0.00 0.00 0.00 84 G 9.01 4.13 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 0.00 0.00 0.00 85 F 9.36 4.82 0.00 2.98 3.32 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 86 V 9.39 4.46 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 1.01 0.00 0.00 0.99 0.00 0.00 87 P 0.00 4.01 0.00 1.90 1.23 0.00 3.45 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 88 N 7.34 4.45 0.00 2.91 2.86 0.00 0.00 6.23 8.07 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 89 D 8.46 4.31 0.00 2.69 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 90 A 8.05 3.97 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 91 A 8.69 4.09 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.29 3.91 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 93 A 8.17 3.88 1.24 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 0.00 0.00 0.00 94 Y 7.86 3.78 0.00 3.29 3.10 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 95 L 8.11 4.25 0.00 1.87 1.88 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.01 3.57 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 0.95 0.00 0.00 1.01 0.00 0.00 97 T 7.89 3.76 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 0.95 0.00 0.00 98 F 8.47 4.36 0.00 3.25 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 99 A 8.67 4.16 1.41 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 0.00 0.00 100 G 8.09 3.59 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 0.00 0.00 0.00 101 I 7.41 3.97 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.71 1.01 0.00 0.00 102 L 8.00 4.15 0.00 1.70 1.81 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.50 4.12 0.00 2.78 2.85 0.00 0.00 6.92 7.28 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 0.00 104 T 7.13 4.78 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 1.27 0.00 0.00 105 E 8.97 4.31 0.00 2.30 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 2.74 2.54 0.00 106 T 8.63 4.92 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 1.15 0.00 0.00 107 L 8.62 5.06 0.00 1.53 1.17 0.53 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.81 4.97 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 0.00 109 I 8.70 4.54 1.06 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.28 0.70 0.00 0.00 110 I 9.16 4.98 1.88 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 0.89 1.37 0.89 0.00 0.00 111 F 7.52 5.67 0.00 3.09 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 0.00 112 D 8.27 4.40 0.00 2.66 2.46 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 0.00 113 R 8.93 4.04 0.00 1.85 1.98 0.00 3.45 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 114 D 8.43 4.62 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.64 4.05 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 0.00 116 D 8.85 4.25 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.88 3.72 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 1.02 0.00 0.00 0.91 0.00 0.00 118 L 7.90 3.95 0.00 1.97 1.70 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.34 3.91 0.00 2.21 2.05 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 2.30 2.36 0.00 120 E 8.33 3.95 0.00 2.18 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 2.32 2.66 0.00 121 L 8.07 3.99 0.00 1.80 1.68 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.13 3.55 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 0.83 0.00 0.00 0.97 0.00 0.00 123 N 8.16 4.42 0.00 2.86 3.09 0.00 0.00 7.05 7.20 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 0.00 124 E 8.16 4.12 0.00 2.07 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 2.29 2.40 0.00 125 I 7.48 3.88 1.96 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 1.77 0.67 0.89 0.00 0.00 *127 E 8.17 4.44 0.00 1.97 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 2.21 2.44 0.00 128 T 7.56 4.40 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 1.19 0.00 0.00 129 L 8.06 4.69 0.00 1.68 1.55 0.91 0.94 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 0.00 130 D 8.29 4.66 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.71 4.84 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 0.00 132 E 9.00 4.28 0.00 2.14 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 2.45 2.40 0.00 133 I 8.34 4.91 1.87 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 1.32 0.75 0.89 0.00 0.00 134 I 8.66 4.65 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.87 0.00 0.00 135 A 8.80 5.74 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.51 4.66 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 0.00 137 R 8.89 5.10 0.00 1.73 1.95 0.00 3.29 0.00 0.00 3.90 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 138 A 8.36 4.64 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 0.00 139 H 9.10 4.65 0.00 3.05 2.89 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.98 4.65 0.00 3.13 3.34 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.06 4.69 0.00 2.70 2.75 0.00 0.00 7.01 7.69 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 0.00 142 P 0.00 4.34 0.00 2.15 2.16 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 1.96 1.93 0.00 143 A 8.14 3.87 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 0.00 144 P 0.00 4.17 0.00 2.15 2.13 0.00 3.70 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 2.11 2.19 0.00 145 L 7.75 3.97 0.00 1.72 1.64 0.70 0.81 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 0.00 146 R 8.15 3.69 0.00 1.62 1.87 0.00 3.27 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.98 0.00 147 V 7.85 3.57 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 0.98 0.00 0.00 0.94 0.00 0.00 148 R 7.77 3.98 0.00 1.97 1.99 0.00 3.18 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 149 I 7.95 3.84 2.16 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 1.47 0.52 1.09 0.00 0.00 150 D 8.31 4.68 0.00 2.91 2.82 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 0.00 151 R 7.96 4.16 0.00 2.03 2.05 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 152 F 8.19 4.13 0.00 3.10 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 *154 E 8.16 4.19 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 2.21 2.58 0.00 155 E 6.87 4.30 0.00 1.68 1.68 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 2.18 2.22 0.00 156 K 7.46 3.70 0.00 0.79 1.33 0.00 1.28 0.00 0.00 0.98 0.00 0.00 3.29 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.28 7.81 157 P 0.00 4.36 0.00 2.34 2.05 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.