NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1475 8.1727 122.0477 56.2626 34.0866 174.0178 2 V 4.5807 8.1527 127.1715 60.6023 32.4903 174.4077 3 F 4.4773 9.9413 128.8812 57.5684 40.1528 175.0727 4 E 4.2002 9.2285 121.3091 55.8195 30.8381 177.0264 5 R 3.3521 9.0216 120.8852 60.7356 29.9668 179.5187 6 C 4.3359 8.0166 115.3494 59.6457 38.0477 175.6839 7 E 3.9090 8.1281 120.8009 59.2157 29.2933 178.5250 8 L 3.4487 7.9325 120.0780 57.7594 42.0828 178.4623 9 A 3.9246 7.7929 120.7578 55.5812 18.2505 179.9559 10 R 3.9149 8.0502 116.2562 59.4270 30.1828 179.4863 11 T 3.8375 7.7785 115.6344 66.6914 68.4950 176.6743 12 L 3.8418 8.1770 121.2141 57.5300 41.5991 179.5596 13 K 3.9097 8.0988 119.5158 59.6912 31.9801 179.1842 14 R 4.0218 8.1824 117.3091 58.6792 29.9264 177.9606 15 L 4.4468 7.4124 116.8635 54.0245 41.6595 176.8634 16 G 3.9028 7.8447 106.4638 47.0004 0.0000 175.3298 17 M 3.9657 7.8485 121.3721 56.4979 32.3440 175.6993 18 D 4.3501 8.0625 117.6872 55.5947 40.7852 175.4318 19 G 3.9059 9.4068 115.4757 45.8706 0.0000 171.6566 20 Y 3.9781 8.2863 121.9003 58.4492 38.8714 176.3013 21 R 3.5793 9.0111 126.8060 57.2228 27.8162 177.3109 22 G 3.8154 8.2711 103.1463 45.6057 0.0000 174.0224 23 I 3.9518 7.7085 122.4185 59.6567 37.4878 176.0307 24 S 4.6365 8.2977 120.9195 57.8443 64.9694 174.8351 25 L 4.2323 8.4989 124.1137 58.4098 41.8376 178.9588 26 A 4.1431 8.1978 120.2606 55.4215 18.2746 179.2788 27 N 4.4501 7.9870 114.2652 56.2862 38.5778 177.6935 28 W 4.3666 7.8495 120.5151 60.0321 29.0847 178.4857 29 M 4.1511 8.5966 118.9875 58.6038 31.4729 177.9361 30 C 3.1142 7.9807 118.5095 59.1037 42.8999 175.2815 31 L 3.9924 8.0870 121.5832 58.3511 41.7401 178.8085 32 A 4.2216 8.3508 122.1087 54.2962 18.3234 179.4498 33 K 2.9079 8.1606 118.1653 59.4094 32.0765 179.1426 34 W 4.3000 7.7218 117.1908 59.0337 29.0591 178.4518 35 E 4.3504 8.4185 118.9989 58.7213 29.3336 177.7868 36 S 4.5159 8.0073 109.3931 56.6456 64.6744 174.6670 37 G 3.4156 8.0285 108.7309 46.8702 0.0000 173.7102 38 Y 3.6653 7.7097 113.7402 58.3809 35.1908 168.3063 39 N 5.2747 7.6461 120.2790 52.1105 39.4495 175.9978 40 T 4.0599 8.9347 117.7472 64.2515 69.0441 176.1214 41 R 4.2857 8.4113 119.6512 56.5427 30.7755 176.4982 42 A 4.2897 7.6453 121.9128 52.8487 19.2726 176.7992 43 T 5.0341 8.3269 110.9018 60.1404 72.4869 172.9985 44 N 4.8811 8.8598 122.0331 52.2624 42.2699 172.2849 45 Y 4.8212 8.7164 127.9790 57.0016 40.9431 173.7734 46 N 4.7658 8.3502 124.5614 51.2799 39.2299 175.5181 47 A 3.6560 8.3351 128.1626 54.7486 18.9836 178.8538 48 G 3.7899 8.1338 104.3335 48.2440 0.0000 173.8643 49 D 4.7140 7.5713 115.1103 51.9379 40.0454 175.9123 50 R 4.0169 8.1156 116.3460 56.8916 28.1662 176.0190 51 S 4.8675 7.7489 113.2914 57.4990 66.0734 172.7784 52 T 5.1039 9.0443 115.8183 61.9886 72.9251 173.0217 53 D 5.3796 9.0703 125.6021 53.5627 42.8868 175.0333 54 Y 4.9044 9.2833 121.3373 57.3798 41.3349 177.5493 55 G 4.4131 8.9818 112.0209 45.8869 0.0000 173.4884 56 I 4.1368 8.1554 116.4867 62.9776 37.9483 178.0474 57 F 4.8149 7.9501 115.5306 56.4663 40.0473 175.1141 58 Q 3.6547 7.8602 119.2394 57.1047 26.5131 173.9645 59 I 4.3852 8.2633 119.1347 61.0675 39.2555 176.6889 60 N 5.4474 9.1935 126.0647 52.9741 39.7398 175.8832 61 S 4.5317 9.0660 121.0576 60.7728 63.1999 175.5713 62 R 3.7730 8.9935 122.3691 58.8912 30.3418 177.9838 63 Y 4.2457 7.8162 113.7878 57.7472 40.7408 177.0814 64 W 5.0082 8.3916 119.1240 57.7440 29.9886 173.5478 65 C 6.0586 7.8508 110.2887 53.2730 45.3198 171.8411 66 N 5.1044 8.9833 119.8224 52.1200 39.5324 174.7560 67 D 4.8894 8.5626 123.1144 52.2656 40.6242 176.5001 68 G 4.3388 8.5136 114.2883 46.5971 0.0000 175.6955 69 K 4.0879 7.8506 116.6793 58.5189 32.9768 176.9424 70 T 4.2047 7.8234 117.8733 62.0865 68.3122 171.7366 71 P 4.0190 0.0000 0.0000 63.6837 31.2251 175.9389 72 G 3.8333 8.9684 110.0047 45.9851 0.0000 172.6148 73 A 4.1310 7.2106 119.9958 52.0969 18.9537 176.8482 74 V 4.3637 8.1403 110.0436 59.7372 35.7183 176.7332 75 N 4.9596 8.0963 117.6453 52.0674 38.0494 174.4137 76 A 3.9999 9.1948 125.5390 54.7456 19.0739 178.5855 77 C 4.5644 8.5353 111.4325 57.5092 41.1062 173.0381 78 H 3.9996 7.9159 116.3060 56.4655 26.2600 174.1064 79 L 4.7976 7.3984 117.0150 52.9279 46.4411 176.2600 80 S 4.6087 8.4017 115.4725 58.0497 63.1983 175.9919 81 C 4.0844 8.6478 124.8709 59.4783 37.3609 176.3662 82 S 3.9243 7.7571 114.7682 61.3033 61.7317 175.8779 83 A 4.2079 7.8155 122.1706 54.5980 17.8439 178.5244 84 L 4.4876 7.7180 116.1679 54.9770 41.6343 177.5851 85 L 5.0183 7.8667 118.2233 54.5121 42.3692 176.6998 86 Q 4.3579 7.7903 117.7030 55.3767 29.5532 175.9857 87 D 4.3795 8.5635 120.1122 57.2161 41.0964 176.7292 88 N 4.5600 8.0185 118.2295 53.2095 39.0731 174.5263 89 I 4.2384 8.4671 119.1570 61.0750 37.9085 177.0338 90 A 3.9361 8.3286 124.7945 56.0250 18.2154 180.1717 91 D 4.2787 8.0968 116.4857 57.4157 40.9236 178.7460 92 A 4.1188 7.9744 120.9069 55.0935 18.3856 179.7114 93 V 3.3950 8.3006 117.0422 66.0188 31.5899 178.0966 94 A 3.8338 8.0844 120.6559 55.3002 18.0982 178.8447 95 C 4.2440 8.3484 116.7805 59.6090 39.0960 175.5858 96 A 3.9074 8.3446 122.9163 54.9907 17.6652 179.7787 97 K 3.7283 8.0358 117.3690 59.4941 31.8146 179.4813 98 R 3.9530 7.5758 117.8431 59.3588 30.3481 178.3641 99 V 2.7718 7.7145 118.1476 65.8149 31.5744 178.1928 100 V 3.9218 7.7936 110.5672 63.1631 31.2802 178.1080 101 R 4.2036 7.5402 117.3277 57.1936 30.3985 176.5658 102 D 4.6931 7.5643 118.8995 53.2396 41.8523 175.7618 103 P 4.1841 0.0000 0.0000 66.0835 31.3089 178.1684 104 Q 4.0510 8.1911 116.5389 56.8334 29.8764 177.6727 105 G 4.1879 8.0640 107.0513 47.4588 0.0000 175.9301 106 I 3.9680 7.7276 122.3881 62.2928 37.9821 177.3809 107 R 4.3381 7.4597 117.4712 58.4377 30.0665 177.4678 108 A 4.1664 7.4267 120.7145 53.7630 18.5839 178.1215 109 W 4.7181 8.2181 116.5377 55.7159 29.8038 176.2975 110 Y 4.3789 9.0916 125.8678 61.1466 38.1362 178.0794 111 A 3.8967 8.3904 120.8480 54.6265 18.4075 179.3669 112 W 3.9242 8.5363 127.1968 60.7061 30.6323 178.4259 113 R 3.8144 8.2513 116.2639 59.4367 29.6253 178.3316 114 N 4.2671 7.9102 115.0940 55.2510 38.7288 176.8216 115 R 4.1415 7.8004 116.3833 55.9968 31.3183 176.0730 116 C 4.5023 7.1114 114.3276 57.5720 43.0727 174.2590 117 Q 2.9962 6.8175 120.3151 57.3011 28.7730 175.8691 118 N 4.1265 8.4964 122.2673 54.7771 36.2615 173.6275 119 R 4.5273 7.3260 114.1775 54.2036 33.6077 176.1178 120 D 4.5940 8.3802 119.0975 53.7150 39.9808 175.8998 121 V 4.5047 8.0894 117.8876 61.2058 32.5265 178.2593 122 R 3.9926 8.0701 121.9579 59.6172 29.6762 178.5232 123 Q 4.0189 8.0944 115.2551 59.1770 28.3322 177.9506 124 Y 4.2482 8.0488 118.1868 59.8090 38.4216 176.4341 125 V 4.4160 7.8770 110.6529 60.6960 33.1859 175.4426 126 Q 4.2443 7.9403 120.2395 57.1200 28.9147 176.7731 127 G 4.0106 8.9428 110.9398 45.8076 0.0000 174.8057 128 C 4.3736 7.9259 115.5360 57.2753 40.5979 173.6053 129 G 3.8071 8.0768 107.0976 47.0814 0.0000 174.0894 130 V 4.0101 7.8668 117.3505 61.1184 32.0940 176.0695 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.17 4.15 0.00 1.99 1.61 0.00 1.20 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 1.05 7.81 2 V 8.15 4.58 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 0.91 0.00 0.00 0.99 0.00 0.00 3 F 9.94 4.48 0.00 2.84 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 4 E 9.23 4.20 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 2.32 2.38 0.00 5 R 9.02 3.35 0.00 1.96 1.91 0.00 3.35 0.00 0.00 3.43 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 6 C 8.02 4.34 0.00 3.00 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 7 E 8.13 3.91 0.00 2.06 2.27 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 2.58 2.42 0.00 8 L 7.93 3.45 0.00 1.28 1.31 -0.09 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.79 3.92 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 10 R 8.05 3.91 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 11 T 7.78 3.84 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 1.19 0.00 0.00 12 L 8.18 3.84 0.00 1.71 1.57 0.90 0.51 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 13 K 8.10 3.91 0.00 1.92 1.94 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 8.18 4.02 0.00 1.90 1.97 0.00 3.20 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 15 L 7.41 4.45 0.00 1.65 1.56 0.85 0.78 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 16 G 7.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.85 3.97 0.00 1.34 2.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 18 D 8.06 4.35 0.00 2.68 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 19 G 9.41 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 0.00 0.00 0.00 20 Y 8.29 3.98 0.00 3.42 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 21 R 9.01 3.58 0.00 1.82 1.81 0.00 3.31 0.00 0.00 2.94 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 22 G 8.27 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 23 I 7.71 3.95 1.72 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.47 -0.24 0.00 0.00 24 S 8.30 4.64 0.00 4.10 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 25 L 8.50 4.23 0.00 2.02 1.81 1.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.20 4.14 1.49 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 27 N 7.99 4.45 0.00 2.80 2.75 0.00 0.00 6.99 7.55 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 28 W 7.85 4.37 0.00 3.49 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 29 M 8.60 4.15 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.94 0.00 30 C 7.98 3.11 0.00 2.47 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 31 L 8.09 3.99 0.00 1.88 1.89 0.61 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.35 4.22 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 33 K 8.16 2.91 0.00 1.72 1.70 0.00 0.64 0.00 0.00 0.79 0.00 0.00 2.70 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.15 0.25 7.81 34 W 7.72 4.30 0.00 3.35 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 35 E 8.42 4.35 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 36 S 8.01 4.52 0.00 4.07 4.15 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 37 G 8.03 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.71 3.67 0.00 3.27 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 39 N 7.65 5.27 0.00 2.77 2.90 0.00 0.00 6.98 7.07 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 40 T 8.93 4.06 4.44 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 1.42 0.00 0.00 41 R 8.41 4.29 0.00 2.00 2.04 0.00 3.19 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 42 A 7.65 4.29 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 43 T 8.33 5.03 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 1.21 0.00 0.00 44 N 8.86 4.88 0.00 2.93 2.83 0.00 0.00 6.77 7.11 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 45 Y 8.72 4.82 0.00 2.99 2.84 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 46 N 8.35 4.77 0.00 2.64 2.58 0.00 0.00 6.60 7.24 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 47 A 8.34 3.66 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.13 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 49 D 7.57 4.71 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 50 R 8.12 4.02 0.00 2.04 2.21 0.00 3.13 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 51 S 7.75 4.87 0.00 4.03 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 52 T 9.04 5.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 53 D 9.07 5.38 0.00 2.68 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 54 Y 9.28 4.90 0.00 2.93 2.91 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 55 G 8.98 4.41 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 0.00 56 I 8.16 4.14 1.69 0.00 0.00 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 0.99 0.83 0.01 0.00 0.00 57 F 7.95 4.81 0.00 3.23 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 58 Q 7.86 3.65 0.00 2.60 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.74 0.00 59 I 8.26 4.39 2.14 0.00 0.00 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 1.33 1.00 1.13 0.00 0.00 60 N 9.19 5.45 0.00 3.11 3.02 0.00 0.00 6.97 7.63 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 61 S 9.07 4.53 0.00 4.19 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.99 3.77 0.00 1.67 1.65 0.00 2.72 0.00 0.00 2.83 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 63 Y 7.82 4.25 0.00 1.76 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 0.00 0.00 0.00 64 W 8.39 5.01 0.00 3.62 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.85 6.06 0.00 3.24 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 66 N 8.98 5.10 0.00 2.78 2.70 0.00 0.00 7.07 9.28 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 67 D 8.56 4.89 0.00 2.86 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 68 G 8.51 4.34 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 0.00 69 K 7.85 4.09 0.00 1.91 1.98 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.56 7.81 70 T 7.82 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 71 P 0.00 4.02 0.00 2.02 2.05 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 72 G 8.97 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 73 A 7.21 4.13 1.23 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 0.00 0.00 74 V 8.14 4.36 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 0.63 0.00 0.00 0.91 0.00 0.00 75 N 8.10 4.96 0.00 2.75 2.56 0.00 0.00 6.77 8.36 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 76 A 9.19 4.00 1.27 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 0.00 0.00 77 C 8.54 4.56 0.00 3.38 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 78 H 7.92 4.00 0.00 3.32 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.40 4.80 0.00 1.68 1.50 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.40 4.61 0.00 3.83 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 81 C 8.65 4.08 0.00 2.20 1.23 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 82 S 7.76 3.92 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.82 4.21 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.72 4.49 0.00 1.94 1.83 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.87 5.02 0.00 1.75 1.71 1.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.79 4.36 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 87 D 8.56 4.38 0.00 2.62 2.67 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 0.00 0.00 0.00 88 N 8.02 4.56 0.00 2.69 2.75 0.00 0.00 6.96 7.94 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 89 I 8.47 4.24 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.98 0.94 0.00 0.00 90 A 8.33 3.94 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 91 D 8.10 4.28 0.00 2.75 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 92 A 7.97 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.30 3.40 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 0.89 0.00 0.00 94 A 8.08 3.83 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 95 C 8.35 4.24 0.00 3.15 3.28 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 0.00 0.00 0.00 0.00 96 A 8.34 3.91 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.04 3.73 0.00 1.67 1.39 0.00 1.25 0.00 0.00 0.81 0.00 0.00 2.24 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.87 7.81 98 R 7.58 3.95 0.00 1.86 2.20 0.00 3.45 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 99 V 7.71 2.77 1.89 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 -0.25 0.00 0.00 -0.36 0.00 0.00 100 V 7.79 3.92 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 1.09 0.00 0.00 1.41 0.00 0.00 101 R 7.54 4.20 0.00 1.99 2.05 0.00 3.24 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.12 0.00 102 D 7.56 4.69 0.00 3.04 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.18 0.00 2.03 2.11 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 104 Q 8.19 4.05 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.75 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 105 G 8.06 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 0.00 106 I 7.73 3.97 1.05 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.91 -0.94 0.00 0.00 107 R 7.46 4.34 0.00 2.12 2.07 0.00 3.25 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.65 0.00 108 A 7.43 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.22 4.72 0.00 3.61 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 9.09 4.38 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.39 3.90 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.54 3.92 0.00 3.49 3.50 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 0.00 0.00 0.00 113 R 8.25 3.81 0.00 1.93 2.00 0.00 3.42 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 114 N 7.91 4.27 0.00 2.28 2.52 0.00 0.00 6.95 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 0.00 115 R 7.80 4.14 0.00 1.38 0.99 0.00 2.68 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.13 0.00 116 C 7.11 4.50 0.00 1.58 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 0.00 117 Q 6.82 3.00 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 118 N 8.50 4.13 0.00 2.77 2.79 0.00 0.00 6.89 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 0.00 119 R 7.33 4.53 0.00 1.72 1.78 0.00 3.24 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 120 D 8.38 4.59 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.09 4.50 2.36 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 0.80 0.00 0.00 1.03 0.00 0.00 122 R 8.07 3.99 0.00 1.97 2.03 0.00 3.16 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.09 4.02 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.13 0.00 0.00 0.00 0.00 0.00 2.14 1.77 0.00 124 Y 8.05 4.25 0.00 3.25 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 0.00 125 V 7.88 4.42 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 1.01 0.00 0.00 1.05 0.00 0.00 126 Q 7.94 4.24 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 127 G 8.94 4.01 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 0.00 128 C 7.93 4.37 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.08 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.87 4.01 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 0.74 0.00 0.00 0.96 0.00 0.00