NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.5175 8.3033 120.2424 56.2290 32.0450 177.7619 4 N 4.3161 8.2265 117.0079 55.3091 38.5016 175.3842 5 L 4.0812 8.1910 121.5487 57.8943 42.4241 177.8228 6 Y 3.9789 8.0884 118.5587 60.9007 38.9518 177.7252 7 F 3.9524 8.3520 117.1216 60.4083 39.2804 177.1264 8 Q 4.4323 8.2226 119.1748 58.9623 28.8203 179.1433 9 G 3.4275 7.9832 104.9588 45.2311 0.0000 175.4921 *11 S 4.4066 8.0596 118.7376 58.3269 65.0640 176.0393 12 D 4.3487 8.0462 120.0111 57.3091 40.3664 179.1420 13 V 3.5218 7.8092 118.5449 65.9850 31.6682 178.0047 14 I 3.8039 7.6569 118.9482 64.7120 36.9871 178.1812 15 E 4.1156 8.4961 119.5603 59.2028 29.1537 179.6819 16 G 3.6023 8.4212 106.2050 47.9161 0.0000 175.9182 17 R 4.7155 7.9493 121.0503 58.3311 30.4435 178.6322 18 L 4.1730 7.8887 119.8823 58.2218 42.1574 179.1475 19 K 4.3345 8.1871 119.8258 59.0772 31.9595 179.1395 20 E 4.0129 8.5224 118.8761 59.1254 29.1404 178.7170 21 L 4.3839 7.6325 116.8063 55.2653 41.9617 177.6804 22 G 3.8257 8.0287 107.4135 44.8366 0.0000 173.3124 23 F 4.9500 8.0617 117.9053 55.4511 41.9807 174.2349 24 T 4.7477 8.2744 113.7729 59.4248 70.9822 174.1125 25 L 4.1214 8.3162 123.9895 54.1179 42.2190 175.5572 26 P 4.7167 0.0000 0.0000 61.7132 33.3471 178.6906 27 V 3.8458 7.8400 113.1811 60.8102 30.7142 175.1811 *33 A 4.0453 8.2474 130.0395 52.9340 19.3303 176.1438 34 N 4.5650 8.5984 115.2650 54.8688 38.9363 175.2501 35 Y 4.8895 7.6134 115.6746 54.9660 39.1287 175.2217 36 V 4.3658 7.9134 114.0780 58.6411 34.8948 174.9605 37 P 4.6523 0.0000 0.0000 65.4564 32.1348 175.6622 38 F 5.5467 6.8335 112.4425 56.2118 40.9114 173.4679 39 T 4.9793 9.2455 109.9725 60.1403 72.6009 172.4665 40 I 5.1932 8.4714 122.2071 59.6654 40.5553 175.1023 41 S 4.5668 9.0345 120.9789 57.1772 65.4954 173.6730 42 G 3.8001 8.4520 118.0518 47.2815 0.0000 173.3649 43 N 4.9206 8.8240 121.0481 52.0716 37.5566 173.0524 44 L 5.0655 8.0921 119.2871 53.5484 44.4450 175.0381 45 L 5.0701 9.0252 126.4471 53.7078 44.2701 174.4226 46 Y 4.8236 9.3941 125.3828 56.6055 39.8539 174.7562 47 V 4.8449 8.9239 125.4243 61.0014 33.5895 175.5827 48 S 4.5758 9.1394 124.6765 58.3325 63.7740 174.4730 49 G 4.0188 8.7537 108.9434 46.7674 0.0000 172.7224 50 Q 4.8846 9.4240 124.7114 54.4649 31.3789 175.0986 51 L 5.0909 8.3409 121.7997 52.2520 44.7991 174.1248 52 P 4.3919 0.0000 0.0000 62.4747 33.1352 175.0950 *54 E 4.1890 8.5981 122.2357 57.3737 30.4905 175.6808 55 S 3.8359 9.6780 122.1188 59.7706 60.4992 173.2803 56 G 3.9236 8.4708 104.7904 45.7541 0.0000 174.0100 57 K 4.5526 7.6986 117.7172 53.9051 35.3365 176.2562 58 I 3.8339 8.1591 122.0607 61.2400 36.7751 176.1726 59 A 4.1835 8.7800 130.3494 53.8464 19.0090 177.6791 60 V 4.4071 7.6485 115.5174 61.3922 34.1833 174.1162 61 T 4.9492 8.5846 116.2089 60.4674 71.5104 173.5956 62 G 3.8450 8.9863 109.0041 44.6498 0.0000 172.1179 63 L 4.5929 8.8726 118.7494 53.2469 42.7221 177.0710 64 V 3.6965 8.3831 124.4231 64.0802 31.7292 176.8762 65 G 3.9987 8.9343 115.7370 45.4172 0.0000 172.9638 66 R 4.3990 7.3038 116.6747 57.3756 32.0385 175.4702 67 D 4.6611 8.7055 116.8988 55.2309 42.0882 177.5713 68 V 4.4265 7.2497 110.7760 58.7419 35.5560 174.7912 69 D 4.8298 8.1578 122.9463 51.8693 42.6435 177.6704 70 V 3.5651 8.1906 117.5440 66.2139 31.3859 177.4588 71 A 4.2907 7.8840 121.1544 54.8948 18.2813 179.6608 72 S 4.0891 8.7051 113.6246 61.6632 62.7910 176.8247 73 A 4.0577 8.0678 123.5118 54.9113 17.9297 179.6941 74 Q 4.1049 8.6558 117.2347 59.2417 28.7619 178.9310 75 R 4.3765 8.3265 120.7945 58.7229 29.9975 178.2575 76 A 3.9737 8.1168 120.3675 55.2267 18.3232 179.3809 77 A 3.9083 8.2221 119.3322 55.3265 18.2778 179.4978 78 E 3.7232 8.4292 117.3381 59.6923 29.5140 179.7135 79 L 3.8528 7.9919 118.7748 57.9236 41.5735 179.3608 80 C 4.2248 8.3105 116.5875 62.7897 28.0073 176.0256 81 A 3.8860 8.1400 122.5317 55.1037 17.8590 179.8396 82 V 3.3942 7.8270 116.9841 66.2163 31.5625 178.0629 83 N 4.3290 8.3328 116.3497 56.1926 38.2478 177.4236 84 I 3.6990 7.9914 121.4868 64.4645 37.1730 178.4175 85 L 3.9112 8.0930 119.5906 57.6981 41.4084 179.3587 86 A 4.0016 8.2324 120.8757 55.4026 18.2117 179.7821 87 Q 4.0308 8.1613 116.5006 59.0015 28.8209 179.0386 88 V 3.3141 7.9930 119.6071 65.6236 31.4628 177.8186 89 K 3.7885 8.3237 119.5187 59.4847 32.1499 178.2865 90 A 3.9605 7.8741 120.5993 55.4185 18.1213 179.4254 91 A 3.5812 7.3938 117.6879 54.3350 18.4231 178.7325 92 L 4.4862 7.6897 116.1402 53.9202 42.5341 176.4246 93 N 3.9790 9.0862 113.7729 54.8152 36.7113 175.4074 94 G 4.0233 8.2587 105.4894 45.3904 0.0000 174.6352 95 D 5.3717 7.8665 119.5853 51.1617 41.0185 176.6412 96 L 4.0232 8.2866 124.9401 56.8935 41.9306 179.6358 97 S 4.2877 8.0277 112.0173 60.1676 63.3811 174.7913 98 K 4.5565 8.3087 120.8514 56.3412 31.9708 176.1168 99 I 4.1268 7.4780 121.3420 61.5295 37.4105 175.9968 100 R 4.3235 8.9137 125.5984 58.4867 31.0303 177.2989 101 R 4.6731 7.4836 116.5687 55.1707 33.6135 173.8426 102 V 4.1378 8.8622 127.4345 62.7407 32.0053 176.5344 103 I 3.9041 8.6765 130.3001 63.9612 38.4075 176.4043 104 K 5.0255 7.6686 121.2800 55.1840 35.8235 174.2672 105 L 5.1076 8.8885 126.7951 52.9559 45.2683 175.0483 106 N 4.9382 8.7661 120.6620 51.5024 40.8961 173.9730 107 G 3.9492 8.6642 112.8472 44.4947 0.0000 171.8697 108 F 5.4141 9.0615 126.1160 55.7756 41.4829 175.0769 109 V 4.8263 8.9171 124.6998 60.6204 34.0757 174.4872 110 A 4.5191 9.0826 131.2399 52.3385 19.1223 176.3199 111 S 5.1187 8.5061 117.8954 56.8494 67.1446 174.7442 112 V 4.0087 8.4520 116.6558 60.6313 32.2779 175.8902 113 P 4.3657 0.0000 0.0000 64.9569 31.3663 177.5247 114 E 4.1987 8.0966 116.2630 57.2591 29.9621 176.1068 115 F 4.6253 8.2607 122.7066 57.6958 39.7589 175.4162 116 V 4.5073 7.2231 120.6422 60.0979 33.2288 175.3791 117 E 4.5426 5.9000 117.6458 55.5824 30.6051 178.5663 118 Q 4.2679 8.0185 120.3873 59.2988 28.8318 177.8062 119 H 4.3133 8.2728 115.8721 58.7849 28.3225 177.5491 120 L 4.0933 7.3447 120.2566 57.2823 41.8871 179.1991 121 V 3.7846 7.7807 117.8805 66.2620 31.5010 178.2719 122 I 3.8601 7.9465 119.1553 63.9299 36.8586 177.8184 123 N 4.3394 8.3508 117.9724 56.2368 38.2323 177.0475 124 G 3.8226 8.0052 106.4476 48.0055 0.0000 175.5112 125 A 3.9026 7.8505 122.9854 54.7715 18.5148 179.6559 126 S 4.1687 8.2478 113.8635 61.9138 62.8579 176.7960 127 N 4.3145 8.5748 119.5008 56.0943 38.2922 177.1493 128 L 3.9249 7.6904 121.2701 58.2908 42.1938 179.1187 129 I 3.6513 8.0224 119.6954 64.4464 37.0783 178.4189 130 A 4.0464 8.2808 121.7269 55.2494 17.9220 179.8466 131 T 3.8140 7.9320 113.7904 67.0120 68.6590 176.9810 132 V 3.8493 7.8094 112.6986 63.1719 31.7887 177.6186 133 L 4.5159 7.8524 116.4318 55.2322 43.3451 178.5663 134 G 3.7937 8.4234 107.8499 45.1072 0.0000 173.9064 135 E 3.8889 8.9898 118.6553 59.0904 29.7729 178.5484 136 P 4.2768 0.0000 0.0000 65.2218 31.4908 178.3361 137 G 3.7612 8.2101 106.4244 47.3207 0.0000 174.0371 138 R 4.2764 7.8008 120.5030 56.3248 30.4399 175.9202 139 H 5.2740 8.4346 117.5848 52.5767 32.0617 172.9596 140 A 4.3282 8.6049 121.7701 52.5560 19.6290 176.3390 141 R 5.6505 8.3852 117.0119 56.0482 33.2646 173.8722 142 A 4.8902 8.5113 124.4773 50.0003 22.7278 174.8763 143 A 5.0112 8.5281 121.6918 50.3875 21.6212 175.8537 144 V 4.5416 8.8803 115.0675 60.0060 36.5648 175.4423 145 G 4.5712 8.6710 109.6973 44.5159 0.0000 173.4217 *147 A 4.4767 8.4778 122.0855 51.5819 20.2895 176.8514 148 S 4.6283 7.1776 106.6101 58.3582 64.9364 175.3837 149 L 4.8110 7.4599 119.2409 51.8911 45.7828 174.3112 150 P 4.1499 0.0000 0.0000 64.6756 31.5736 176.9747 151 F 3.5863 8.8006 118.9184 57.8854 36.4900 174.4727 152 N 4.2340 8.3218 117.0271 54.1996 37.6777 173.7547 153 A 4.5239 7.9241 118.5450 52.3094 19.0147 179.0927 154 S 4.5430 8.6593 117.6511 60.3213 64.0460 174.4750 155 V 5.0444 7.5799 117.2801 61.3877 34.7243 173.7692 156 E 5.0772 9.4301 126.1605 54.7983 33.6134 174.0491 157 I 5.3884 9.1608 126.3291 58.6362 41.7218 174.4117 158 D 5.3434 8.6356 125.2633 52.0184 42.9891 174.4254 159 A 5.0748 8.4426 118.2415 50.8531 23.3326 175.2259 160 I 4.6316 8.5069 120.1140 59.3378 40.7642 175.0537 161 V 4.7397 8.6452 126.3175 61.0071 34.8451 173.7792 162 E 4.8908 9.3322 130.0784 55.7243 30.7331 175.1799 163 I 5.1112 8.5002 119.6272 58.9429 41.2357 175.0812 164 D 4.6084 8.7373 122.0084 54.7220 40.3633 176.4840 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 E 8.30 4.52 0.00 2.10 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 2.32 2.33 0.00 4 N 8.23 4.32 0.00 2.87 2.90 0.00 0.00 6.79 5.85 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 5 L 8.19 4.08 0.00 1.81 1.74 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.09 3.98 0.00 3.03 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 7 F 8.35 3.95 0.00 3.15 3.18 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 8 Q 8.22 4.43 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 9 G 7.98 3.43 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 0.00 *11 S 8.06 4.41 0.00 4.07 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 12 D 8.05 4.35 0.00 2.85 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 13 V 7.81 3.52 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 1.06 0.00 0.00 0.89 0.00 0.00 14 I 7.66 3.80 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.88 0.89 0.00 0.00 15 E 8.50 4.12 0.00 1.99 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 2.33 2.44 0.00 16 G 8.42 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 17 R 7.95 4.72 0.00 1.98 2.02 0.00 3.26 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 18 L 7.89 4.17 0.00 1.82 1.90 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.19 4.33 0.00 2.01 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 20 E 8.52 4.01 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 21 L 7.63 4.38 0.00 2.07 1.96 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.03 3.83 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 0.00 0.00 0.00 23 F 8.06 4.95 0.00 3.06 2.92 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 24 T 8.27 4.75 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 1.23 0.00 0.00 25 L 8.32 4.12 0.00 1.67 1.66 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.72 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 27 V 7.84 3.85 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 0.71 0.00 0.00 0.93 0.00 0.00 *33 A 8.25 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.60 4.56 0.00 2.81 2.94 0.00 0.00 6.69 7.46 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 35 Y 7.61 4.89 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.91 4.37 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 37 P 0.00 4.65 0.00 2.39 2.36 0.00 3.40 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 38 F 6.83 5.55 0.00 3.14 3.08 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 39 T 9.25 4.98 4.29 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 1.22 0.00 0.00 40 I 8.47 5.19 1.97 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 1.32 0.87 0.99 0.00 0.00 41 S 9.03 4.57 0.00 3.79 3.74 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 42 G 8.45 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.82 4.92 0.00 3.12 3.03 0.00 0.00 5.81 6.67 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 44 L 8.09 5.07 0.00 1.92 1.68 1.00 0.30 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 45 L 9.03 5.07 0.00 1.70 1.68 0.89 0.60 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 46 Y 9.39 4.82 0.00 2.94 2.98 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 47 V 8.92 4.84 2.13 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 1.06 0.00 0.00 0.95 0.00 0.00 48 S 9.14 4.58 0.00 3.97 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 49 G 8.75 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 0.00 0.00 0.00 0.00 50 Q 9.42 4.88 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 51 L 8.34 5.09 0.00 1.52 1.62 1.08 1.16 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 52 P 0.00 4.39 0.00 2.13 2.37 0.00 3.76 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 *54 E 8.60 4.19 0.00 2.10 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 2.42 0.00 55 S 9.68 3.84 0.00 4.03 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 56 G 8.47 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 57 K 7.70 4.55 0.00 1.71 1.67 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.34 7.81 58 I 8.16 3.83 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.98 0.00 0.00 59 A 8.78 4.18 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 60 V 7.65 4.41 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 1.05 0.00 0.00 1.00 0.00 0.00 61 T 8.58 4.95 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 1.30 0.00 0.00 62 G 8.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.87 4.59 0.00 1.66 1.57 0.92 0.88 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 64 V 8.38 3.70 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 -0.09 0.00 0.00 0.83 0.00 0.00 65 G 8.93 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 66 R 7.30 4.40 0.00 1.71 1.82 0.00 3.23 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 67 D 8.71 4.66 0.00 2.78 2.68 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 68 V 7.25 4.43 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 0.90 0.00 0.00 0.84 0.00 0.00 69 D 8.16 4.83 0.00 2.93 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 70 V 8.19 3.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.16 0.00 0.00 71 A 7.88 4.29 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 72 S 8.71 4.09 0.00 4.04 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 73 A 8.07 4.06 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 74 Q 8.66 4.10 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 75 R 8.33 4.38 0.00 2.00 2.17 0.00 3.60 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 76 A 8.12 3.97 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 77 A 8.22 3.91 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 78 E 8.43 3.72 0.00 2.19 1.61 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 2.39 2.53 0.00 79 L 7.99 3.85 0.00 1.85 1.72 0.99 0.98 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 80 C 8.31 4.22 0.00 3.09 2.98 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 81 A 8.14 3.89 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 82 V 7.83 3.39 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 1.08 0.00 0.00 0.43 0.00 0.00 83 N 8.33 4.33 0.00 3.06 3.05 0.00 0.00 7.05 7.30 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 84 I 7.99 3.70 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.87 0.00 0.00 85 L 8.09 3.91 0.00 1.82 1.68 0.87 0.88 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 86 A 8.23 4.00 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 87 Q 8.16 4.03 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 88 V 7.99 3.31 2.13 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 0.91 0.00 0.00 0.93 0.00 0.00 89 K 8.32 3.79 0.00 1.89 1.94 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.45 7.81 90 A 7.87 3.96 1.52 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 0.00 0.00 91 A 7.39 3.58 0.33 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 92 L 7.69 4.49 0.00 1.65 1.63 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.09 3.98 0.00 2.84 2.85 0.00 0.00 7.08 7.10 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 94 G 8.26 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 0.00 0.00 0.00 0.00 95 D 7.87 5.37 0.00 2.74 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 96 L 8.29 4.02 0.00 1.69 1.71 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.03 4.29 0.00 3.87 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 98 K 8.31 4.56 0.00 1.98 1.88 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.47 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.59 7.81 99 I 7.48 4.13 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.92 0.00 0.00 100 R 8.91 4.32 0.00 1.86 2.00 0.00 3.41 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 101 R 7.48 4.67 0.00 1.89 1.71 0.00 3.30 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 102 V 8.86 4.14 2.24 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 0.79 0.00 0.00 0.90 0.00 0.00 103 I 8.68 3.90 1.92 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 1.21 0.60 0.87 0.00 0.00 104 K 7.67 5.03 0.00 1.79 1.51 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.48 7.81 105 L 8.89 5.11 0.00 1.51 1.38 0.65 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.77 4.94 0.00 2.62 2.18 0.00 0.00 6.52 6.96 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 0.00 107 G 8.66 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 0.00 0.00 0.00 108 F 9.06 5.41 0.00 3.10 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 0.00 109 V 8.92 4.83 2.24 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 1.07 0.00 0.00 1.02 0.00 0.00 110 A 9.08 4.52 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 0.00 111 S 8.51 5.12 0.00 3.84 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 0.00 112 V 8.45 4.01 2.13 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 0.74 0.00 0.00 1.11 0.00 0.00 113 P 0.00 4.37 0.00 2.06 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 114 E 8.10 4.20 0.00 2.00 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 2.37 0.00 115 F 8.26 4.63 0.00 2.99 3.20 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 0.00 116 V 7.22 4.51 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.81 0.00 0.00 117 E 5.90 4.54 0.00 1.65 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 2.16 2.03 0.00 118 Q 8.02 4.27 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 119 H 8.27 4.31 0.00 3.35 3.52 0.00 5.46 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 0.00 120 L 7.34 4.09 0.00 1.75 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.78 3.78 2.35 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 1.08 0.00 0.00 1.13 0.00 0.00 122 I 7.95 3.86 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 1.74 0.72 0.88 0.00 0.00 123 N 8.35 4.34 0.00 3.03 2.90 0.00 0.00 6.70 6.87 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 0.00 124 G 8.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.85 3.90 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 0.00 126 S 8.25 4.17 0.00 3.90 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 0.00 127 N 8.57 4.31 0.00 2.77 2.88 0.00 0.00 6.70 6.38 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 0.00 128 L 7.69 3.92 0.00 1.74 1.74 0.53 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.02 3.65 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.32 0.92 0.00 0.00 130 A 8.28 4.05 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 0.00 131 T 7.93 3.81 4.45 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 1.23 0.00 0.00 132 V 7.81 3.85 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 0.80 0.00 0.00 0.99 0.00 0.00 133 L 7.85 4.52 0.00 1.69 1.68 0.90 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 0.00 134 G 8.42 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 0.00 135 E 8.99 3.89 0.00 2.04 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 2.38 2.42 0.00 136 P 0.00 4.28 0.00 2.21 2.31 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 137 G 8.21 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 0.00 138 R 7.80 4.28 0.00 1.79 1.83 0.00 3.10 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 139 H 8.43 5.27 0.00 3.06 3.31 0.00 5.13 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 0.00 140 A 8.60 4.33 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 0.00 141 R 8.39 5.65 0.00 1.82 1.75 0.00 3.02 0.00 0.00 3.93 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 142 A 8.51 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.53 5.01 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 0.00 144 V 8.88 4.54 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 0.78 0.00 0.00 1.17 0.00 0.00 145 G 8.67 4.57 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 0.00 *147 A 8.48 4.48 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 0.00 148 S 7.18 4.63 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.46 4.81 0.00 1.88 1.57 1.09 1.02 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 0.00 150 P 0.00 4.15 0.00 2.35 1.94 0.00 3.85 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 2.13 2.07 0.00 151 F 8.80 3.59 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.32 4.23 0.00 3.01 2.89 0.00 0.00 7.09 8.63 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 0.00 153 A 7.92 4.52 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 0.00 154 S 8.66 4.54 0.00 3.83 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 0.00 155 V 7.58 5.04 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 0.84 0.00 0.00 0.96 0.00 0.00 156 E 9.43 5.08 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 157 I 9.16 5.39 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.98 0.88 0.00 0.00 158 D 8.64 5.34 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.44 5.07 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 0.00 160 I 8.51 4.63 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.76 0.47 0.00 0.00 161 V 8.65 4.74 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 0.93 0.00 0.00 0.86 0.00 0.00 162 E 9.33 4.89 0.00 2.04 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 2.29 2.26 0.00 163 I 8.50 5.11 1.86 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 1.39 0.85 0.88 0.00 0.00 164 D 8.74 4.61 0.00 2.60 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 * Residues marked with a * may have inaccurate shift predictions.