NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3131 8.3044 120.3328 54.8123 33.3965 174.9072 2 E 3.7141 8.3602 124.3428 55.1276 30.2073 175.3351 3 K 4.3130 9.1577 127.5637 56.0561 32.9450 175.3441 4 K 4.8456 8.3464 126.2986 54.8606 36.1872 175.0115 5 T 5.3025 9.5816 118.4300 61.9169 71.2513 173.8239 6 I 5.0072 8.6540 118.4721 59.0965 41.4667 174.1690 7 V 4.7480 8.7050 123.9286 61.4448 33.6086 174.3587 8 L 5.1780 8.6278 129.1227 53.5244 45.8369 175.4318 9 G 4.0525 8.1321 110.8150 46.1379 0.0000 171.6076 10 V 5.5350 8.3063 119.6013 60.1936 33.8395 174.5607 11 I 4.8918 8.5656 127.7491 60.5605 40.0066 175.6940 12 G 4.2052 9.0486 114.4329 46.8625 0.0000 174.9926 13 S 4.5443 8.7933 119.9722 58.4170 63.3450 172.9410 14 D 4.0378 7.0092 121.8389 53.1757 41.1361 176.3836 15 C 4.4930 8.3610 120.2773 58.0041 30.5782 173.5051 16 H 4.0936 8.4599 119.0158 56.5044 28.6728 175.3878 17 A 4.6466 8.4681 124.7186 52.0949 20.6741 178.3813 18 V 3.6198 7.7743 116.9888 66.0065 31.6639 177.9291 19 G 3.7445 8.1650 105.0735 48.0912 0.0000 174.7924 20 N 4.2820 8.1248 118.8986 56.3066 38.9848 176.7210 21 K 4.0143 7.8806 120.6044 59.4302 32.1819 178.9962 22 I 3.7678 7.8427 120.2990 64.2975 36.9371 178.4245 23 L 4.1538 8.2976 120.2197 57.6475 41.3712 178.8630 24 D 4.3586 8.2148 118.0368 57.7419 41.1375 177.8362 25 H 4.1389 8.2900 118.2855 59.2631 29.8773 177.0624 26 A 3.9435 8.4467 122.7522 55.3709 18.2675 179.7236 27 F 4.0276 8.8137 116.7008 60.7372 38.8300 178.1994 28 T 4.2991 8.4399 117.2769 66.4268 68.1246 176.5303 29 N 4.2760 8.5826 116.9433 55.9802 38.5820 176.7109 30 A 4.2107 7.8947 120.6082 52.4385 18.7017 177.8773 31 G 3.9218 7.8706 104.6470 44.8833 0.0000 174.1650 32 F 4.6164 8.3402 119.3647 56.9324 40.9067 174.9372 33 N 4.8713 9.3167 122.1631 52.9174 39.1371 173.6921 34 V 4.2382 8.2895 126.6862 61.9100 32.5759 175.8758 35 V 3.9992 8.9520 130.4228 61.7276 31.5515 173.3867 36 N 5.1476 8.4388 125.8214 52.0699 38.7937 174.0786 37 I 3.8432 8.8008 120.2504 60.6691 38.5967 177.7371 38 G 3.6957 8.4224 113.1623 45.1039 0.0000 173.5228 39 V 4.2192 8.0576 112.4312 60.5056 32.9370 175.0629 40 L 4.3173 7.7549 117.3089 54.9388 39.6658 175.4746 41 S 4.5813 7.9714 114.4347 56.2501 64.1986 173.1891 42 P 4.9110 0.0000 0.0000 62.0656 32.6102 177.0513 43 Q 4.1747 9.0499 118.2007 59.7704 28.5301 179.5935 44 E 4.1511 8.3233 118.5690 59.5378 29.5099 179.3128 45 L 4.2353 8.0657 118.8166 57.4158 41.7306 179.4655 46 F 4.0872 8.2353 117.6279 60.5985 38.9179 177.5883 47 I 3.8237 7.8426 119.3236 64.1144 36.9480 178.2705 48 K 3.8823 8.7129 120.6712 59.6027 32.0253 178.7164 49 A 3.9965 8.0653 120.7139 54.9543 18.1758 179.4317 50 A 3.9798 7.9854 119.1426 55.2871 18.5657 180.0319 51 I 3.6446 7.7658 118.1849 64.7391 37.0778 178.3356 52 E 4.0471 7.9789 118.1691 58.8206 29.3626 178.1588 53 T 4.3565 7.7006 105.3975 60.1313 69.6655 173.8433 54 K 3.7259 7.7317 121.4006 57.5180 31.0419 174.9705 55 A 4.2170 8.0714 120.3981 52.5570 18.9966 178.0052 56 D 4.7266 9.2764 120.7365 56.4681 42.3710 176.2481 57 A 4.9226 7.6838 117.9796 50.7519 23.1466 175.1381 58 I 4.8087 8.4981 120.1026 59.6009 40.1451 174.9390 59 L 4.7127 9.3664 128.9789 53.1534 43.4907 176.0290 60 V 4.3046 8.7514 126.1415 61.6677 32.9890 174.5103 61 S 5.2085 8.8566 123.7112 57.0582 64.6732 173.0413 62 S 4.5119 9.2297 121.4795 57.3643 64.4707 173.8139 63 L 4.6711 9.4678 128.4325 55.6575 43.2937 178.0672 64 Y 4.2580 8.4617 114.3362 57.0346 38.5364 175.3589 65 G 4.0902 7.6389 109.5312 46.3689 0.0000 174.6188 66 Q 4.4011 7.5810 117.7276 55.9247 28.9522 177.8932 67 G 3.8630 8.2144 109.9134 47.3760 0.0000 175.6786 68 E 3.8088 7.8123 120.0195 59.0454 29.8824 178.8867 69 I 3.9342 7.6407 119.2432 64.4980 37.3479 177.9208 70 D 4.5637 8.1616 118.2088 57.4315 40.9167 178.1858 71 C 4.4358 8.5408 116.9464 60.4544 28.4676 173.8795 72 K 4.0232 7.0232 120.8574 57.6586 32.3830 177.0085 73 G 3.9586 8.8854 113.5273 45.5552 0.0000 174.9266 74 L 4.0661 7.5827 122.0321 57.5093 42.0019 178.6547 75 R 3.7056 7.6831 118.1791 59.3933 29.9738 177.6210 76 Q 3.9125 8.0620 118.7006 59.5794 28.9366 178.7191 77 K 3.9668 8.0151 119.0312 59.6649 32.0793 179.2329 78 C 4.1548 8.3158 117.3365 62.7295 27.8929 175.6990 79 D 4.3343 8.3869 120.8642 57.7070 40.2862 178.9804 80 E 4.0167 8.1349 116.9632 58.8892 29.4494 178.3327 81 A 4.4159 7.7995 118.6786 51.8757 18.5826 177.9320 82 G 4.0251 8.2545 106.3807 45.9732 0.0000 174.2142 83 L 4.6527 8.1323 118.9847 53.7684 42.2945 176.3745 84 E 4.4459 7.5833 117.3138 57.6945 29.7269 178.6722 85 G 3.9920 8.8903 111.3986 45.1217 0.0000 173.5686 86 I 3.7729 7.2797 119.5937 60.8324 38.7619 175.1704 87 L 4.5098 8.0259 126.2686 54.7732 42.7884 175.8850 88 L 5.2346 10.1636 124.7597 53.3805 44.2782 175.0436 89 Y 5.7450 9.0141 122.2767 56.2989 41.2624 175.4574 90 V 4.7836 8.9069 121.7580 60.3702 35.1376 174.7393 91 G 4.2847 9.1687 109.9236 44.3717 0.0000 173.2360 92 G 4.5332 9.0845 107.1759 44.7023 0.0000 176.0049 93 N 5.3298 8.2024 115.9575 51.0834 38.9271 173.6947 94 I 4.0344 7.7765 113.8958 61.6163 38.8375 176.7629 95 V 4.6552 7.4222 112.9814 59.0375 34.9627 175.0771 96 V 3.6646 8.2613 121.2625 63.9352 31.1739 176.9058 97 G 4.0180 8.7027 112.1037 44.6388 0.0000 172.1680 98 K 3.9825 8.3436 119.9236 56.7815 32.3270 175.8416 99 Q 4.5925 8.3238 123.5762 54.0272 33.2492 173.9507 100 H 4.4149 8.6876 118.7818 55.8679 30.1131 175.4359 101 W 4.3089 9.0832 135.0000 60.3942 30.4898 175.7100 102 P 4.0076 0.0000 0.0000 65.8055 30.6352 178.2590 103 D 4.2910 7.8064 117.1328 57.1403 40.6567 179.0553 104 V 3.4421 7.1128 118.3208 65.7887 31.5905 177.4614 105 E 3.4219 7.0112 119.0986 58.9898 29.2574 178.7959 106 K 3.8638 7.6113 119.3723 59.1727 32.2261 178.6106 107 R 3.7984 7.6552 118.7101 59.7767 30.0536 178.5604 108 F 4.0637 8.2882 117.2711 60.1618 38.8193 178.0465 109 K 4.3792 8.2559 119.7494 59.1429 31.6560 179.0933 110 D 4.4000 8.5439 118.3062 57.2199 40.7653 178.0812 111 M 4.2959 7.5852 117.2670 55.9626 32.1255 177.0486 112 G 3.9899 8.1055 107.9657 45.2864 0.0000 173.1769 113 Y 4.2896 8.0735 117.9506 57.2844 38.9201 176.2529 114 D 4.5201 9.3172 125.4858 57.1607 41.4539 177.0381 115 R 4.5211 8.0413 115.9645 54.0869 34.4777 174.5061 116 V 4.6685 7.7775 120.9831 61.4450 34.0121 173.9611 117 Y 4.8614 9.1618 125.8206 55.9495 40.9178 175.9736 118 A 3.2462 7.8261 125.8400 50.2465 19.2782 174.9377 119 P 4.7623 0.0000 0.0000 63.7532 31.6523 177.0687 120 G 3.8177 8.7840 109.2952 46.3085 0.0000 173.4604 121 T 3.9227 7.1877 115.9443 62.3128 68.9360 172.9586 122 P 4.3681 0.0000 0.0000 61.7370 32.2253 175.4760 123 P 4.2846 0.0000 0.0000 66.0790 31.1673 178.6240 124 E 3.8197 8.1459 116.6644 59.4209 29.3134 179.5194 125 V 3.6981 7.7713 118.4287 65.9445 31.5597 178.4380 126 G 3.6494 7.8881 105.0561 47.5881 0.0000 175.5866 127 I 3.4771 7.9077 122.2145 64.2044 37.2060 178.3519 128 A 4.0753 7.9694 121.4816 55.3245 18.1446 179.4633 129 D 4.4489 8.3627 117.5067 57.4454 40.8961 178.7890 130 L 4.4393 8.4498 122.4882 57.5529 42.1059 179.1669 131 K 4.1690 8.4266 118.6923 59.1323 31.9862 179.2666 132 K 4.2301 8.0246 121.0249 59.3409 32.0182 178.7557 133 D 4.5456 8.5318 117.9260 56.6015 40.7737 177.7286 134 L 4.5011 7.8465 117.0294 53.3744 42.1611 175.6767 135 N 4.2759 8.2356 116.5860 55.0078 37.6505 174.2867 136 I 4.6151 8.3439 106.6062 59.8550 38.9008 174.9561 137 E 4.1885 8.1173 125.0824 56.9668 29.8073 176.1125 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 M 8.30 4.31 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 2 E 8.36 3.71 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 3 K 9.16 4.31 0.00 1.76 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 4 K 8.35 4.85 0.00 2.00 2.03 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.48 7.81 5 T 9.58 5.30 4.28 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 1.33 0.00 0.00 6 I 8.65 5.01 1.63 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.00 0.65 0.00 0.00 7 V 8.70 4.75 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 0.94 0.00 0.00 0.96 0.00 0.00 8 L 8.63 5.18 0.00 1.57 1.34 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.13 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 10 V 8.31 5.53 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 1.25 0.00 0.00 0.93 0.00 0.00 11 I 8.57 4.89 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.97 0.00 0.00 12 G 9.05 4.21 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 0.00 13 S 8.79 4.54 0.00 4.18 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 14 D 7.01 4.04 0.00 1.58 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 0.00 0.00 0.00 15 C 8.36 4.49 0.00 3.06 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 H 8.46 4.09 0.00 3.22 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.47 4.65 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 18 V 7.77 3.62 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 1.04 0.00 0.00 0.94 0.00 0.00 19 G 8.16 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 0.00 0.00 0.00 20 N 8.12 4.28 0.00 2.76 3.02 0.00 0.00 6.82 6.44 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 21 K 7.88 4.01 0.00 1.87 1.94 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 22 I 7.84 3.77 1.89 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 1.73 0.82 0.94 0.00 0.00 23 L 8.30 4.15 0.00 1.69 1.72 0.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.21 4.36 0.00 2.87 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 25 H 8.29 4.14 0.00 3.34 3.58 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.45 3.94 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 27 F 8.81 4.03 0.00 3.23 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 28 T 8.44 4.30 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 N 8.58 4.28 0.00 2.75 2.83 0.00 0.00 7.09 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 30 A 7.89 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 31 G 7.87 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 32 F 8.34 4.62 0.00 3.37 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 33 N 9.32 4.87 0.00 2.84 2.94 0.00 0.00 6.83 8.28 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 34 V 8.29 4.24 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 0.81 0.00 0.00 1.16 0.00 0.00 35 V 8.95 4.00 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 0.92 0.00 0.00 0.93 0.00 0.00 36 N 8.44 5.15 0.00 2.81 2.71 0.00 0.00 7.24 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 37 I 8.80 3.84 1.64 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.29 0.74 0.00 0.00 38 G 8.42 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 0.00 0.00 0.00 39 V 8.06 4.22 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 0.78 0.00 0.00 0.89 0.00 0.00 40 L 7.75 4.32 0.00 1.74 1.70 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.97 4.58 0.00 3.93 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.91 0.00 2.44 2.23 0.00 3.72 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 2.10 2.01 0.00 43 Q 9.05 4.17 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 44 E 8.32 4.15 0.00 2.09 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 2.43 2.50 0.00 45 L 8.07 4.24 0.00 1.57 1.60 0.86 1.04 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 46 F 8.24 4.09 0.00 3.31 3.07 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 47 I 7.84 3.82 1.92 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 1.44 0.74 0.93 0.00 0.00 48 K 8.71 3.88 0.00 1.77 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.81 7.81 49 A 8.07 4.00 1.30 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 0.00 0.00 50 A 7.99 3.98 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 51 I 7.77 3.64 2.00 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 1.53 1.19 0.92 0.00 0.00 52 E 7.98 4.05 0.00 2.06 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 2.38 0.00 53 T 7.70 4.36 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 1.21 0.00 0.00 54 K 7.73 3.73 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 55 A 8.07 4.22 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 56 D 9.28 4.73 0.00 2.73 2.76 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 57 A 7.68 4.92 0.94 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 58 I 8.50 4.81 1.88 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 1.28 0.84 1.00 0.00 0.00 59 L 9.37 4.71 0.00 1.50 1.48 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.75 4.30 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 0.75 0.00 0.00 0.60 0.00 0.00 61 S 8.86 5.21 0.00 3.97 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 62 S 9.23 4.51 0.00 3.90 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 63 L 9.47 4.67 0.00 1.57 1.53 0.92 0.77 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 64 Y 8.46 4.26 0.00 3.12 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 65 G 7.64 4.09 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 0.00 0.00 0.00 66 Q 7.58 4.40 0.00 1.53 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.16 1.73 0.00 67 G 8.21 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 68 E 7.81 3.81 0.00 2.20 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 2.16 2.15 0.00 69 I 7.64 3.93 2.01 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 1.63 0.98 0.93 0.00 0.00 70 D 8.16 4.56 0.00 2.79 2.85 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 71 C 8.54 4.44 0.00 3.19 3.13 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 72 K 7.02 4.02 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.33 7.81 73 G 8.89 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 74 L 7.58 4.07 0.00 1.82 1.52 0.89 0.79 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 75 R 7.68 3.71 0.00 1.71 1.76 0.00 3.25 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 1.61 1.68 0.00 76 Q 8.06 3.91 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 77 K 8.02 3.97 0.00 1.99 1.85 0.00 1.92 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.63 7.81 78 C 8.32 4.15 0.00 3.04 2.95 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 79 D 8.39 4.33 0.00 2.84 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 80 E 8.13 4.02 0.00 2.05 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 2.34 2.51 0.00 81 A 7.80 4.42 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 82 G 8.25 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 83 L 8.13 4.65 0.00 1.78 1.66 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.58 4.45 0.00 2.06 1.90 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 2.40 2.48 0.00 85 G 8.89 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 0.00 0.00 0.00 86 I 7.28 3.77 1.96 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 1.28 0.85 0.91 0.00 0.00 87 L 8.03 4.51 0.00 1.37 1.52 0.94 0.67 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 88 L 10.16 5.23 0.00 1.53 1.62 0.59 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 9.01 5.74 0.00 2.95 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 90 V 8.91 4.78 1.43 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 0.47 0.00 0.00 0.68 0.00 0.00 91 G 9.17 4.28 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 0.00 92 G 9.08 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 5.33 0.00 2.88 2.73 0.00 0.00 7.00 6.91 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 94 I 7.78 4.03 1.34 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.39 0.73 0.00 0.00 95 V 7.42 4.66 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 0.96 0.00 0.00 1.06 0.00 0.00 96 V 8.26 3.66 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 0.77 0.00 0.00 0.93 0.00 0.00 97 G 8.70 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 98 K 8.34 3.98 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 99 Q 8.32 4.59 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 100 H 8.69 4.41 0.00 3.19 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 9.08 4.31 0.00 3.39 3.06 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 0.00 102 P 0.00 4.01 0.00 2.08 2.04 0.00 3.05 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 1.98 2.18 0.00 103 D 7.81 4.29 0.00 2.81 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 0.00 104 V 7.11 3.44 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 0.71 0.00 0.00 0.91 0.00 0.00 105 E 7.01 3.42 0.00 1.16 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 2.15 2.17 0.00 106 K 7.61 3.86 0.00 1.74 1.70 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.39 7.81 107 R 7.66 3.80 0.00 1.97 2.13 0.00 3.04 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.54 0.00 108 F 8.29 4.06 0.00 3.01 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 0.00 109 K 8.26 4.38 0.00 1.98 1.86 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.52 7.81 110 D 8.54 4.40 0.00 2.79 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 0.00 111 M 7.59 4.30 0.00 2.11 2.43 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 112 G 8.11 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 0.00 0.00 0.00 113 Y 8.07 4.29 0.00 3.41 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 0.00 114 D 9.32 4.52 0.00 2.98 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 0.00 115 R 8.04 4.52 0.00 0.67 0.91 0.00 2.39 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 116 V 7.78 4.67 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 0.56 0.00 0.00 0.98 0.00 0.00 117 Y 9.16 4.86 0.00 2.85 2.74 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 0.00 118 A 7.83 3.25 -0.15 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 0.00 119 P 0.00 4.76 0.00 1.94 1.96 0.00 3.46 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 120 G 8.78 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 0.00 121 T 7.19 3.92 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 1.07 0.00 0.00 122 P 0.00 4.37 0.00 2.14 2.01 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 123 P 0.00 4.28 0.00 2.12 2.18 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 2.14 2.23 0.00 124 E 8.15 3.82 0.00 2.01 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 2.37 2.38 0.00 125 V 7.77 3.70 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 1.13 0.00 0.00 0.93 0.00 0.00 126 G 7.89 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.48 1.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.18 0.88 0.00 0.00 128 A 7.97 4.08 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 0.00 129 D 8.36 4.45 0.00 3.13 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 0.00 130 L 8.45 4.44 0.00 2.10 2.01 0.69 -0.03 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 0.00 131 K 8.43 4.17 0.00 1.96 2.01 0.00 1.94 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.66 7.81 132 K 8.02 4.23 0.00 2.00 2.07 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.51 7.81 133 D 8.53 4.55 0.00 2.84 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 0.00 134 L 7.85 4.50 0.00 1.89 1.78 1.08 0.94 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 0.00 135 N 8.24 4.28 0.00 2.90 2.91 0.00 0.00 6.86 7.45 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 0.00 136 I 8.34 4.62 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 1.53 0.89 1.04 0.00 0.00 137 E 8.12 4.19 0.00 2.18 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 2.36 2.27 0.00