NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.6111 8.1444 121.6845 57.3859 39.8710 173.8915 7 V 3.6132 7.4511 127.6285 60.0770 32.1652 172.7167 8 P 4.2427 0.0000 0.0000 64.2607 32.4084 176.2958 9 G 4.0279 9.0803 111.9577 45.2900 0.0000 174.2315 10 S 4.2850 7.8545 114.6522 59.4565 63.8817 173.9247 11 V 4.9102 8.1397 121.3475 61.4134 34.1179 174.7064 12 S 5.2295 9.1464 120.7163 56.8399 67.7913 172.6659 13 A 5.0259 8.7698 124.5267 50.5058 20.6698 175.7659 14 A 5.1323 8.6999 124.9627 50.4569 22.0600 175.2628 15 F 5.3194 9.3646 120.2972 55.7796 41.7664 175.1135 16 V 5.3989 9.0519 122.1944 60.3824 34.8771 174.0673 17 T 5.1091 8.6641 117.1092 60.4455 71.2868 173.3329 18 C 4.7343 9.0020 120.2201 57.3610 32.4503 173.5216 19 P 4.3020 0.0000 0.0000 65.4917 31.3089 175.4689 20 N 4.9725 7.4598 114.0518 50.0054 40.4853 174.0813 21 E 4.0306 8.6216 116.9440 58.7161 29.5636 178.3115 22 K 3.9923 8.0231 119.6184 59.0815 32.3458 178.8253 23 V 3.4758 8.2859 118.4310 65.8572 31.5227 177.5420 24 A 3.9342 7.6817 120.1919 55.5880 18.0302 179.7922 25 K 4.0642 7.9315 115.9639 59.1387 32.2599 179.2319 26 E 3.9975 8.1454 118.9976 59.8589 29.4711 179.7215 27 I 3.8881 8.1620 119.6337 64.1269 37.2622 178.4261 28 A 4.0121 8.5000 122.1116 55.3190 18.2421 179.9498 29 R 3.8999 8.7057 116.9139 59.3138 30.0601 179.2165 30 A 3.9970 8.2317 120.6743 55.0807 18.3983 180.1486 31 V 3.3733 7.8885 111.1244 64.4167 31.4809 179.2754 32 V 3.7849 7.7171 112.2166 64.0754 31.2002 178.2226 33 E 3.9152 7.8112 116.4816 59.5038 29.4021 178.8508 34 K 4.0484 7.8347 116.0307 55.6546 32.2180 177.4531 35 R 3.7794 7.7646 117.1837 56.9320 28.1493 177.2390 36 L 4.0484 7.7089 117.5530 56.4837 41.6842 176.7069 37 A 4.4438 7.3250 119.1738 51.2454 21.8795 175.5402 38 A 4.1603 8.3326 122.7551 53.6277 20.2963 177.3810 39 C 4.9287 7.4777 108.0799 57.2258 33.3569 173.3440 40 V 4.8828 8.2832 118.9867 61.2992 34.1384 174.0812 41 N 4.9108 9.1114 125.7477 51.6720 40.4587 173.8422 42 L 4.7929 8.5402 124.5416 53.8819 43.2154 176.3923 43 I 4.4358 8.8246 126.1559 58.9903 38.8103 173.8949 44 P 4.7940 0.0000 0.0000 61.5471 33.2079 175.3584 45 Q 3.4939 8.5211 115.2912 56.8364 26.4074 174.2582 46 I 4.2460 7.3688 109.7399 60.8402 39.7490 174.6708 47 T 5.0151 8.4069 119.9633 62.1549 70.6357 173.6125 48 S 4.9078 8.9036 122.9965 57.1241 65.4380 173.6454 49 I 5.4595 8.5924 123.6037 59.0227 40.4167 173.9214 50 Y 4.8400 7.7933 123.7368 55.8147 41.6296 172.9199 51 E 4.8504 8.7695 121.0251 55.0867 31.0511 175.2966 52 W 5.2950 9.3974 135.0000 56.9230 34.1138 174.9527 53 K 3.4820 9.5168 124.8158 57.4885 28.8772 176.7062 54 G 4.0178 8.2016 105.2780 45.5875 0.0000 173.7048 55 K 4.6068 7.5855 119.1200 54.6072 34.9752 175.8876 56 I 4.3162 8.2361 124.3445 61.1015 37.6968 175.4394 57 E 4.4725 8.5019 127.1009 55.0777 32.2302 175.7380 58 E 4.6433 8.4201 119.8073 55.2933 32.1999 174.6267 59 D 5.0220 9.1444 124.7357 52.4564 44.1981 175.5313 60 S 5.0250 8.5136 115.6497 57.8979 63.4481 172.9046 61 E 5.1226 9.5484 125.7050 55.0961 34.8108 173.8803 62 V 4.7006 8.9546 119.6462 61.3105 34.8589 173.8735 63 L 5.0418 8.8150 129.6769 53.8823 44.2096 174.6280 64 M 4.9783 10.2698 125.9519 53.9016 34.6072 174.4525 65 M 4.3598 9.0287 123.9249 53.7887 34.4600 174.3360 66 I 4.7863 8.8596 128.2176 59.4428 40.3748 174.7065 67 K 4.8796 8.7663 126.9415 55.2858 33.7567 175.5852 68 T 4.7735 8.4875 118.8642 60.4226 71.8010 172.8931 69 Q 4.5207 8.4714 122.7526 55.6129 29.6264 177.9835 70 S 4.1606 8.8802 118.4926 61.7479 62.6247 177.3246 71 S 4.2738 8.0450 115.2268 60.3979 63.1238 175.2268 72 L 4.4413 7.9071 121.9534 54.8610 41.7441 178.4042 73 V 3.6516 7.7440 120.4515 65.4161 31.4774 176.0847 74 P 4.2956 0.0000 0.0000 65.5578 31.1787 178.4099 75 A 4.0693 7.9288 119.1372 54.6180 18.3379 179.0245 76 L 3.9538 8.5252 119.3750 58.9103 42.0614 179.5005 77 T 3.8743 8.4019 115.7347 66.6665 68.1692 176.3894 78 E 3.9110 8.0448 120.1566 58.9465 29.8645 178.1198 79 F 4.2331 8.4260 120.8966 61.3935 39.5791 176.8900 80 V 3.3641 8.0394 118.0247 66.4873 31.0151 178.2568 81 R 3.9208 7.9276 116.1727 59.1242 29.9126 178.8831 82 S 4.2289 7.8779 113.2543 60.1528 63.2550 175.2066 83 V 4.1093 7.0235 112.7729 60.9981 33.2066 175.2069 84 H 4.2947 7.7847 120.7365 54.5507 30.4815 173.7608 85 P 4.1949 0.0000 0.0000 66.1127 31.4109 177.3194 86 Y 4.5341 7.3902 114.8008 59.6463 37.8356 177.1176 87 E 4.0681 8.6317 117.2796 55.8867 28.0668 174.5471 88 V 4.1921 7.5153 116.0705 59.3263 31.9923 174.5461 89 A 4.0881 8.2454 128.9923 51.5356 19.5688 176.7243 90 E 4.3231 8.5670 120.7426 55.7106 30.8405 175.5759 91 V 5.1293 8.3308 124.5675 60.8743 34.3038 174.5283 92 I 4.9315 9.0312 120.2508 59.1844 41.3340 174.0583 93 A 5.2897 8.6070 124.2086 50.3919 22.2336 175.1836 94 L 4.9461 8.9652 122.2286 52.0394 44.9056 174.2764 95 P 4.7565 0.0000 0.0000 62.5993 32.6438 175.9714 96 V 3.9748 8.9843 124.5423 62.6786 31.7309 176.4841 97 E 4.3438 9.0875 128.0498 58.5686 30.0772 176.3027 98 Q 4.6626 7.0569 114.8879 54.6115 32.6603 173.2531 99 G 3.6879 7.8634 107.1192 44.5335 0.0000 172.0489 100 N 4.3050 7.9530 116.9450 53.2484 39.2583 173.1891 101 P 4.3026 0.0000 0.0000 65.2805 31.5855 176.8687 102 P 4.4002 0.0000 0.0000 65.7719 31.0743 177.8745 103 Y 4.1129 8.0520 118.9946 60.5854 38.8879 177.6469 104 L 3.7859 8.0053 119.8333 58.0826 41.6720 178.6997 105 H 4.0607 8.2030 118.1086 59.3426 29.6766 176.8198 106 W 4.0099 8.1538 129.7163 60.4497 30.2890 177.9668 107 V 2.8493 7.4951 117.3587 66.0764 30.5904 177.1938 108 H 4.1319 8.0026 117.9069 59.0345 29.7028 177.3265 109 Q 3.8951 7.9967 120.2326 59.0453 28.4932 178.6445 110 V 3.7347 7.3307 110.3157 62.4555 31.6542 176.5230 111 T 4.2557 6.8953 110.8509 61.5113 68.8201 173.7820 112 E 3.9707 7.6248 119.6198 56.4317 30.0680 176.8499 113 S 3.4750 8.1036 108.7089 59.4051 59.9115 172.1481 114 V 3.9490 7.7539 122.7313 61.1094 31.3618 176.5454 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 Y 8.14 4.61 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.45 3.61 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 0.78 0.00 0.00 0.83 0.00 0.00 8 P 0.00 4.24 0.00 2.03 2.13 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 9 G 9.08 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 0.00 0.00 0.00 10 S 7.85 4.29 0.00 4.00 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 11 V 8.14 4.91 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.06 0.00 0.00 12 S 9.15 5.23 0.00 3.77 3.70 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 13 A 8.77 5.03 1.21 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 0.00 0.00 14 A 8.70 5.13 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 15 F 9.36 5.32 0.00 2.98 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 16 V 9.05 5.40 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 1.27 0.00 0.00 0.95 0.00 0.00 17 T 8.66 5.11 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 1.31 0.00 0.00 18 C 9.00 4.73 0.00 2.77 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 19 P 0.00 4.30 0.00 2.15 2.22 0.00 3.32 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 20 N 7.46 4.97 0.00 2.90 2.94 0.00 0.00 5.87 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 21 E 8.62 4.03 0.00 2.06 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 2.37 2.36 0.00 22 K 8.02 3.99 0.00 1.85 1.89 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.48 7.81 23 V 8.29 3.48 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 0.83 0.00 0.00 0.83 0.00 0.00 24 A 7.68 3.93 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 25 K 7.93 4.06 0.00 1.81 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.69 7.81 26 E 8.15 4.00 0.00 2.12 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 2.52 0.00 27 I 8.16 3.89 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.97 0.00 0.00 28 A 8.50 4.01 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 29 R 8.71 3.90 0.00 2.02 2.00 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 30 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 31 V 7.89 3.37 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 1.02 0.00 0.00 1.03 0.00 0.00 32 V 7.72 3.78 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 0.84 0.00 0.00 1.00 0.00 0.00 33 E 7.81 3.92 0.00 2.09 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 0.00 2.36 2.27 0.00 34 K 7.83 4.05 0.00 1.48 1.64 0.00 0.92 0.00 0.00 1.35 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.30 7.81 35 R 7.76 3.78 0.00 1.83 1.88 0.00 3.37 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 36 L 7.71 4.05 0.00 1.56 1.67 0.71 0.49 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 37 A 7.33 4.44 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 38 A 8.33 4.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.48 4.93 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 40 V 8.28 4.88 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 0.83 0.00 0.00 0.93 0.00 0.00 41 N 9.11 4.91 0.00 2.64 2.72 0.00 0.00 6.60 7.18 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 42 L 8.54 4.79 0.00 1.53 1.61 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 43 I 8.82 4.44 1.93 0.00 0.00 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 1.32 0.79 0.95 0.00 0.00 44 P 0.00 4.79 0.00 2.08 2.19 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 45 Q 8.52 3.49 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 46 I 7.37 4.25 1.90 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 1.27 0.75 0.99 0.00 0.00 47 T 8.41 5.02 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 1.24 0.00 0.00 48 S 8.90 4.91 0.00 3.90 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 49 I 8.59 5.46 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.52 0.90 0.00 0.00 50 Y 7.79 4.84 0.00 3.02 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 51 E 8.77 4.85 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 52 W 9.40 5.29 0.00 3.23 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.52 3.48 0.00 1.58 1.45 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.30 0.26 7.81 54 G 8.20 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 55 K 7.59 4.61 0.00 1.87 1.69 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.41 7.81 56 I 8.24 4.32 1.83 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 1.39 0.48 0.85 0.00 0.00 57 E 8.50 4.47 0.00 1.18 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 58 E 8.42 4.64 0.00 1.77 1.85 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 2.18 2.29 0.00 59 D 9.14 5.02 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.51 5.02 0.00 3.91 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 61 E 9.55 5.12 0.00 1.90 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 2.42 2.32 0.00 62 V 8.95 4.70 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 1.11 0.00 0.00 0.97 0.00 0.00 63 L 8.82 5.04 0.00 1.88 1.58 1.16 0.82 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 64 M 10.27 4.98 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 65 M 9.03 4.36 0.00 1.88 1.69 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 1.36 2.16 0.00 66 I 8.86 4.79 1.79 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 1.19 0.48 0.88 0.00 0.00 67 K 8.77 4.88 0.00 1.88 1.83 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.53 7.81 68 T 8.49 4.77 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 1.19 0.00 0.00 69 Q 8.47 4.52 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 70 S 8.88 4.16 0.00 3.86 3.93 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 71 S 8.05 4.27 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.91 4.44 0.00 1.91 1.68 0.87 0.66 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 73 V 7.74 3.65 2.17 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 0.94 0.00 0.00 1.00 0.00 0.00 74 P 0.00 4.30 0.00 2.20 2.09 0.00 3.70 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 2.11 2.16 0.00 75 A 7.93 4.07 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 76 L 8.53 3.95 0.00 1.91 1.89 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.40 3.87 4.48 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 1.22 0.00 0.00 78 E 8.04 3.91 0.00 1.98 2.16 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 2.36 2.40 0.00 79 F 8.43 4.23 0.00 3.22 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 80 V 8.04 3.36 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 0.95 0.00 0.00 1.07 0.00 0.00 81 R 7.93 3.92 0.00 1.95 1.94 0.00 3.20 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 82 S 7.88 4.23 0.00 3.93 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 83 V 7.02 4.11 1.60 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 0.21 0.00 0.00 0.41 0.00 0.00 84 H 7.78 4.29 0.00 3.27 3.04 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.19 0.00 1.72 2.03 0.00 3.07 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 86 Y 7.39 4.53 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.63 4.07 0.00 2.21 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 2.23 2.27 0.00 88 V 7.52 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 0.73 0.00 0.00 0.92 0.00 0.00 89 A 8.25 4.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.57 4.32 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 91 V 8.33 5.13 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 0.89 0.00 0.00 0.92 0.00 0.00 92 I 9.03 4.93 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.36 0.93 0.00 0.00 93 A 8.61 5.29 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 L 8.97 4.95 0.00 1.78 1.65 1.08 1.13 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 95 P 0.00 4.76 0.00 2.28 2.10 0.00 3.81 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 2.04 2.00 0.00 96 V 8.98 3.97 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 0.95 0.00 0.00 1.01 0.00 0.00 97 E 9.09 4.34 0.00 2.07 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 2.36 2.32 0.00 98 Q 7.06 4.66 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 99 G 7.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.95 4.30 0.00 2.79 2.86 0.00 0.00 6.90 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 0.00 101 P 0.00 4.30 0.00 2.23 2.15 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 102 P 0.00 4.40 0.00 2.32 2.36 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 103 Y 8.05 4.11 0.00 3.14 3.22 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 0.00 104 L 8.01 3.79 0.00 1.92 1.70 0.85 0.23 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 0.00 105 H 8.20 4.06 0.00 3.32 3.55 0.00 5.78 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 0.00 106 W 8.15 4.01 0.00 3.45 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.50 2.85 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 0.68 0.00 0.00 0.42 0.00 0.00 108 H 8.00 4.13 0.00 3.22 3.33 0.00 5.64 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 0.00 109 Q 8.00 3.90 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 110 V 7.33 3.73 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 -0.23 0.00 0.00 111 T 6.90 4.26 4.12 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 1.10 0.00 0.00 112 E 7.62 3.97 0.00 2.09 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 2.19 2.15 0.00 113 S 8.10 3.48 0.00 3.85 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 0.00 114 V 7.75 3.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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