NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3597 8.2649 122.4673 51.9264 19.9515 176.1650 3 E 4.5771 8.6546 120.8569 54.9625 32.4741 173.2575 4 T 5.1549 8.6592 117.3045 61.8524 72.4808 173.0035 5 K 4.3701 9.2497 128.1658 54.8003 34.0147 174.7461 6 I 5.0656 8.2960 128.1061 59.5285 40.0747 175.3435 7 V 4.5364 8.6160 125.9210 61.3100 35.3226 173.8346 8 V 5.1809 7.9771 126.1168 59.6988 34.4490 174.5882 9 G 4.1944 8.3175 114.6318 45.5877 0.0000 171.9953 10 P 4.7684 0.0000 0.0000 64.5616 31.7448 177.3102 11 Q 4.1735 7.8273 117.5718 54.6045 29.3012 174.0386 12 P 4.0498 0.0000 0.0000 62.7072 31.6936 176.6260 13 F 4.6233 7.9224 118.3205 55.8967 39.6009 174.8391 14 S 4.5055 8.2867 114.3398 55.6048 64.7773 174.7134 15 V 3.3839 8.6157 127.5352 65.8684 31.0275 178.0587 16 G 3.6793 7.4570 105.0222 47.3676 0.0000 175.0675 17 E 4.2734 7.9759 119.6793 58.5483 29.8535 178.1543 18 E 4.2845 8.0105 117.8883 58.4675 29.8570 178.0584 19 Y 4.1156 8.0784 120.0069 60.2606 38.7031 175.9664 20 P 4.2228 0.0000 0.0000 65.3447 31.5780 178.1097 21 W 4.1647 8.1505 126.5375 60.4320 30.5901 177.4570 22 L 3.7900 7.7014 118.8729 57.4878 41.4276 177.9250 23 A 4.3687 6.9716 117.4271 51.4920 19.2715 177.2772 24 E 3.8510 7.3235 122.3333 60.1194 30.0982 178.0355 25 R 4.0289 7.5134 118.4917 55.7060 30.6889 177.0108 26 D 4.3768 8.8672 123.5215 57.4297 40.9903 178.0242 27 E 4.0577 7.9894 115.4499 58.8995 30.0185 177.2917 28 D 4.5663 7.7289 121.4275 53.5419 39.0069 176.5407 29 G 3.8554 8.0437 108.3228 47.2522 0.0000 170.7443 30 A 4.8337 8.2171 122.8598 49.9961 22.3023 175.1507 31 V 4.6699 8.4344 121.7048 60.9731 34.4129 174.6387 32 V 4.4178 8.8184 128.2565 61.1151 33.9570 174.2762 33 T 5.0713 8.5550 116.8813 59.7991 71.8982 172.8492 34 F 4.9310 9.0758 125.1872 56.7659 42.7964 173.5647 35 T 4.9432 7.7908 121.6189 61.5940 71.4584 173.2512 36 G 4.1145 8.8937 113.8599 44.3964 0.0000 172.6684 37 K 5.1542 8.4393 123.7290 54.1879 35.2523 176.3177 38 V 3.6942 8.2533 122.7278 63.2275 32.4193 175.5601 39 R 4.5610 8.6388 127.5624 54.7676 32.0253 173.7105 40 N 4.6498 8.4705 121.7342 53.1703 37.7426 177.5228 *48 N 4.4714 8.4691 123.4919 53.6116 38.4897 173.7829 49 A 4.1536 7.5460 121.6587 50.8501 21.0261 175.6340 50 L 4.5332 7.2575 114.8172 53.9931 45.9748 176.8212 51 T 4.6538 8.3439 122.0364 61.8822 70.8622 173.1194 52 L 4.6670 8.3231 127.0466 53.3103 43.8611 175.9656 53 E 5.3322 8.8818 122.0581 54.8025 33.7996 174.2943 54 H 5.3084 8.9530 115.3249 54.1359 32.6079 172.8517 55 Y 4.6175 8.3918 120.5002 55.4830 38.0148 172.9004 56 P 4.1877 0.0000 0.0000 64.1596 32.3438 175.9348 57 G 4.2007 8.9311 116.9913 46.5735 0.0000 175.7753 58 M 3.8866 7.2924 119.9396 57.9538 31.9265 178.9779 59 T 3.7387 7.6761 109.6015 64.5022 68.8677 176.6016 60 E 3.9142 7.9771 121.1432 59.2839 29.5560 179.2435 61 K 3.9729 7.9045 117.8425 59.2506 32.0496 179.3567 62 A 3.9325 8.1537 121.5359 55.0956 18.3996 179.7404 63 L 3.8955 8.2454 117.6908 57.7615 41.7050 179.5563 64 A 4.1020 8.0600 120.7406 54.8824 18.2382 179.5807 65 E 4.0052 8.1113 117.6081 59.3594 29.4801 179.3387 66 I 3.7119 7.5807 119.9525 64.5462 37.1175 178.6355 67 V 3.7301 7.7486 118.6138 65.8932 31.2917 177.3359 68 D 4.3868 8.3076 117.8753 57.6041 40.9560 178.0847 69 E 4.2569 8.7309 120.7873 58.6507 29.6483 178.4905 70 A 4.2487 8.6522 121.0662 55.4894 18.3105 179.8801 71 R 4.1529 8.3461 115.8209 59.4347 29.9412 178.6002 72 N 4.3988 8.3490 116.5056 56.2109 38.2327 177.4311 73 R 3.5516 7.2215 118.1922 56.6612 30.6961 176.9798 74 W 5.1087 7.5563 116.1898 53.8857 32.7528 174.2010 75 P 4.5526 0.0000 0.0000 62.5973 29.2886 174.9682 76 L 5.0313 8.1553 124.9242 53.4555 44.9981 176.6433 77 G 4.4929 7.9125 114.5338 45.3329 0.0000 176.2261 78 R 4.6900 8.8913 124.9751 55.5755 31.1752 174.9407 79 V 4.8128 8.4336 120.7018 61.6329 35.6675 173.9176 80 T 5.1988 9.1561 123.4886 61.7977 72.2265 172.9488 81 V 4.8797 9.0864 126.2006 61.1625 34.5041 174.1454 82 I 5.1272 8.7793 128.3328 59.7988 40.6996 174.1113 83 H 5.2718 8.9626 124.8087 54.6642 33.2459 172.5934 84 R 5.5523 9.2051 124.8069 54.8570 31.4286 175.2542 85 I 4.4654 8.1195 113.9336 59.9859 41.9550 174.9269 86 G 4.1038 9.2381 108.9172 44.6009 0.0000 171.5631 87 E 4.4462 8.4784 120.9646 56.1337 30.3127 177.9201 88 L 4.6608 8.2700 126.1211 53.7139 46.6794 175.0843 89 W 4.6543 9.2330 123.8675 53.8128 32.3578 173.9471 90 P 4.5483 0.0000 0.0000 64.5480 31.1077 177.4214 91 G 3.9992 8.5388 109.5350 45.5233 0.0000 173.6393 92 D 4.4292 7.7081 120.4169 53.7501 41.4365 175.4421 93 E 4.5021 8.5529 124.1968 56.1358 29.7545 176.1852 94 I 4.5786 8.7537 118.1604 61.0632 40.2728 175.9386 95 V 4.9465 7.8021 121.9015 59.9247 35.0389 173.9530 96 F 5.2097 9.1644 125.8438 56.3618 42.6862 173.3306 97 V 4.5062 8.5492 126.1526 60.8370 34.3164 174.1637 98 G 4.2944 8.9778 115.2245 44.3164 0.0000 171.9740 99 V 4.9601 8.8974 124.1250 61.2356 35.4914 174.0917 100 T 5.1441 8.2345 115.1390 60.4293 72.6307 172.3645 101 S 4.8509 8.6681 116.1625 57.5177 66.1183 174.9042 102 A 4.0374 8.6339 124.5519 53.9705 18.2225 178.0721 103 H 5.0381 7.7290 112.7071 53.6158 32.8004 175.2866 104 R 3.9784 8.5907 121.5870 59.3567 29.3793 179.1638 105 S 4.2689 8.1225 113.6781 61.3683 62.3994 176.0921 106 S 3.9403 8.1035 117.3383 61.2174 62.5825 176.3878 107 A 3.7711 7.6033 122.7038 55.0325 18.1827 179.6102 108 F 4.0418 7.9314 116.2562 60.8679 39.0234 177.8552 109 E 3.7848 8.0134 117.8481 59.1322 29.0826 179.3460 110 A 3.2196 7.2181 121.0441 54.6526 18.4120 179.7830 111 G 3.5182 7.9282 104.3547 48.1101 0.0000 175.7048 112 Q 3.8399 7.9467 122.0719 58.6025 29.0053 177.7164 113 F 4.2062 8.3093 121.7918 61.4154 39.3327 177.2039 114 I 3.5537 8.1399 119.5275 64.6579 36.8094 178.2385 115 M 3.9547 7.6797 118.9788 58.4965 31.8214 178.6360 116 D 4.2879 8.2308 119.2251 57.5683 40.9517 178.2366 117 Y 4.2187 7.8833 120.1705 60.2116 38.6268 176.9864 118 L 3.8246 8.0805 121.7715 58.3772 41.8841 179.3273 119 K 4.0630 7.5794 117.2474 59.4477 32.0820 179.2562 120 T 4.1053 7.6956 108.9959 64.8400 68.9417 176.5295 121 R 3.8916 8.4175 120.6335 57.3207 31.6439 176.5704 122 A 3.9186 8.1379 120.3625 52.8053 16.2193 174.4875 123 P 4.4788 0.0000 0.0000 62.9749 32.6492 176.2181 124 F 5.3003 7.7844 119.5560 57.8530 42.7796 174.5884 125 W 5.1249 8.6966 113.9049 56.2551 31.6900 174.7503 126 K 3.7496 8.4601 121.4603 56.4724 31.6554 175.6916 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.36 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 3 E 8.65 4.58 0.00 2.33 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 0.00 2.44 2.50 0.00 4 T 8.66 5.15 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 1.33 0.00 0.00 5 K 9.25 4.37 0.00 1.11 1.52 0.00 0.77 0.00 0.00 1.33 0.00 0.00 2.70 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.17 1.06 7.81 6 I 8.30 5.07 1.87 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 1.25 0.82 0.92 0.00 0.00 7 V 8.62 4.54 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 0.93 0.00 0.00 0.88 0.00 0.00 8 V 7.98 5.18 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 1.26 0.00 0.00 1.03 0.00 0.00 9 G 8.32 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.77 0.00 2.21 2.22 0.00 3.40 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 11 Q 7.83 4.17 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 12 P 0.00 4.05 0.00 1.93 1.83 0.00 3.64 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 1.97 2.01 0.00 13 F 7.92 4.62 0.00 2.98 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 14 S 8.29 4.51 0.00 3.77 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 15 V 8.62 3.38 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 1.10 0.00 0.00 0.87 0.00 0.00 16 G 7.46 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 0.00 0.00 0.00 17 E 7.98 4.27 0.00 2.14 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 2.34 2.35 0.00 18 E 8.01 4.28 0.00 1.65 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 1.91 0.00 19 Y 8.08 4.12 0.00 3.30 3.05 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 20 P 0.00 4.22 0.00 2.15 2.19 0.00 3.89 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 2.14 2.33 0.00 21 W 8.15 4.16 0.00 3.39 3.23 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 0.00 22 L 7.70 3.79 0.00 1.83 1.85 1.02 1.18 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 23 A 6.97 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.32 3.85 0.00 1.91 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 2.22 2.21 0.00 25 R 7.51 4.03 0.00 1.93 1.97 0.00 3.09 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 26 D 8.87 4.38 0.00 2.62 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 27 E 7.99 4.06 0.00 2.03 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 2.21 2.22 0.00 28 D 7.73 4.57 0.00 2.81 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.04 3.86 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 0.00 0.00 0.00 30 A 8.22 4.83 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 31 V 8.43 4.67 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 0.82 0.00 0.00 0.87 0.00 0.00 32 V 8.82 4.42 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 0.84 0.00 0.00 0.07 0.00 0.00 33 T 8.56 5.07 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 1.46 0.00 0.00 34 F 9.08 4.93 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.79 4.94 4.16 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 1.39 0.00 0.00 36 G 8.89 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 37 K 8.44 5.15 0.00 1.63 1.72 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.38 7.81 38 V 8.25 3.69 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 0.92 0.00 0.00 0.93 0.00 0.00 39 R 8.64 4.56 0.00 1.85 1.87 0.00 3.54 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 40 N 8.47 4.65 0.00 2.82 2.03 0.00 0.00 7.08 8.00 0.00 0.00 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 N 8.47 4.47 0.00 2.74 2.84 0.00 0.00 5.78 7.26 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 49 A 7.55 4.15 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.26 4.53 0.00 1.57 1.40 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.34 4.65 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 1.08 0.00 0.00 52 L 8.32 4.67 0.00 1.56 1.54 0.70 0.47 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 53 E 8.88 5.33 0.00 1.75 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 0.00 2.35 2.24 0.00 54 H 8.95 5.31 0.00 2.99 3.41 0.00 5.53 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 55 Y 8.39 4.62 0.00 2.89 2.77 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 56 P 0.00 4.19 0.00 2.00 1.95 0.00 3.93 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 57 G 8.93 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 58 M 7.29 3.89 0.00 1.98 1.68 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 1.90 0.00 59 T 7.68 3.74 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 1.13 0.00 0.00 60 E 7.98 3.91 0.00 2.21 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 2.39 2.46 0.00 61 K 7.90 3.97 0.00 2.00 1.80 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 62 A 8.15 3.93 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 63 L 8.25 3.90 0.00 1.80 1.73 1.01 1.21 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 64 A 8.06 4.10 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 65 E 8.11 4.01 0.00 2.18 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 2.35 2.50 0.00 66 I 7.58 3.71 1.93 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.07 0.88 0.00 0.00 67 V 7.75 3.73 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 1.17 0.00 0.00 0.99 0.00 0.00 68 D 8.31 4.39 0.00 3.06 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 69 E 8.73 4.26 0.00 2.36 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 70 A 8.65 4.25 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 0.00 0.00 0.00 0.00 0.00 71 R 8.35 4.15 0.00 2.00 2.06 0.00 3.24 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.99 0.00 72 N 8.35 4.40 0.00 2.88 2.77 0.00 0.00 6.95 7.17 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 73 R 7.22 3.55 0.00 0.76 0.66 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.23 0.00 74 W 7.56 5.11 0.00 3.38 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 75 P 0.00 4.55 0.00 2.24 2.17 0.00 3.99 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 2.12 2.09 0.00 76 L 8.16 5.03 0.00 1.71 1.64 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.91 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.89 4.69 0.00 1.50 1.40 0.00 2.24 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 0.00 79 V 8.43 4.81 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 1.22 0.00 0.00 1.03 0.00 0.00 80 T 9.16 5.20 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 81 V 9.09 4.88 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 82 I 8.78 5.13 1.52 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 1.09 0.69 0.91 0.00 0.00 83 H 8.96 5.27 0.00 3.36 3.33 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.21 5.55 0.00 1.74 1.86 0.00 3.01 0.00 0.00 3.26 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 85 I 8.12 4.47 2.07 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 1.24 0.99 1.11 0.00 0.00 86 G 9.24 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 0.00 0.00 0.00 87 E 8.48 4.45 0.00 1.95 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 2.16 2.00 0.00 88 L 8.27 4.66 0.00 1.49 1.44 0.85 0.79 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 89 W 9.23 4.65 0.00 3.24 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.55 0.00 2.10 2.05 0.00 4.00 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 91 G 8.54 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 92 D 7.71 4.43 0.00 2.92 2.57 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 93 E 8.55 4.50 0.00 1.46 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 2.28 2.19 0.00 94 I 8.75 4.58 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.94 0.00 0.00 95 V 7.80 4.95 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 0.89 0.00 0.00 1.07 0.00 0.00 96 F 9.16 5.21 0.00 2.26 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 0.00 0.00 0.00 97 V 8.55 4.51 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 0.75 0.00 0.00 0.93 0.00 0.00 98 G 8.98 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 0.00 0.00 0.00 0.00 99 V 8.90 4.96 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 0.97 0.00 0.00 0.90 0.00 0.00 100 T 8.23 5.14 4.14 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 1.13 0.00 0.00 101 S 8.67 4.85 0.00 3.85 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 0.00 102 A 8.63 4.04 1.08 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 0.00 0.00 103 H 7.73 5.04 0.00 3.17 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.59 3.98 0.00 2.11 2.26 0.00 3.23 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 105 S 8.12 4.27 0.00 3.97 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 0.00 106 S 8.10 3.94 0.00 4.08 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 0.00 107 A 7.60 3.77 1.14 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 0.00 0.00 108 F 7.93 4.04 0.00 3.14 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 0.00 109 E 8.01 3.78 0.00 1.58 1.51 0.00 0.00 0.00 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 2.30 0.00 110 A 7.22 3.22 1.13 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 0.00 111 G 7.93 3.52 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 0.00 112 Q 7.95 3.84 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.24 0.00 113 F 8.31 4.21 0.00 3.51 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 0.00 114 I 8.14 3.55 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 0.91 0.00 0.00 115 M 7.68 3.95 0.00 1.71 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.59 0.00 116 D 8.23 4.29 0.00 2.74 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 0.00 117 Y 7.88 4.22 0.00 2.12 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 0.00 0.00 0.00 0.00 118 L 8.08 3.82 0.00 1.82 1.92 1.08 1.16 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 0.00 119 K 7.58 4.06 0.00 1.87 1.88 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.72 7.81 120 T 7.70 4.11 4.31 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 1.31 0.00 0.00 121 R 8.42 3.89 0.00 1.80 2.05 0.00 3.46 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 122 A 8.14 3.92 1.42 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 0.00 123 P 0.00 4.48 0.00 1.88 2.03 0.00 3.90 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 1.76 1.87 0.00 124 F 7.78 5.30 0.00 2.93 3.19 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 0.00 125 W 8.70 5.12 0.00 3.46 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 0.00 126 K 8.46 3.75 0.00 1.66 1.53 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.