NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4776 8.3049 120.3312 54.7961 33.4891 174.5636 2 E 3.9070 8.3234 119.0456 55.3774 28.6695 175.6663 3 A 4.0578 9.2559 126.3943 52.3416 19.8098 178.6190 4 L 4.1229 8.5085 123.3802 56.0109 41.9700 177.4727 5 G 3.6621 8.2052 104.8153 45.9902 0.0000 172.5411 6 A 4.4355 7.2113 117.9124 51.4718 22.3777 176.1816 7 D 4.9206 8.3906 119.2069 52.6622 43.1022 176.0739 8 V 4.5799 8.4822 123.0523 61.4035 34.3115 175.4608 9 T 4.3323 8.3549 123.0375 61.3509 68.6603 173.6277 10 Q 3.8393 8.6796 125.3568 56.6919 28.7428 177.7718 11 G 3.9688 8.8000 110.9359 45.2971 0.0000 172.4825 12 L 4.8537 8.0282 119.6659 52.7528 45.4599 175.0724 13 E 5.1304 8.9207 119.2117 53.8611 33.3643 175.5848 14 K 4.2276 8.0570 120.9198 57.8907 32.5368 177.3419 15 G 4.0132 8.9232 113.0463 45.4596 0.0000 174.2136 16 S 4.2750 7.9593 116.9090 58.5179 64.1306 173.4817 17 L 5.6081 8.7829 124.3529 52.8661 42.6407 175.4151 18 I 4.5595 8.0637 117.9845 59.2564 41.4097 174.0319 19 T 4.6765 8.4717 118.1898 62.8506 70.2484 174.5620 20 C 4.6927 8.8427 127.2170 57.3261 30.7155 173.8020 21 A 4.5390 8.3816 132.6013 49.8364 15.5068 174.7643 22 D 4.8275 7.5875 119.7260 53.5780 41.5438 175.9109 23 N 4.9890 8.1136 114.4289 52.8123 37.7252 177.0139 24 T 3.8610 8.8958 111.9682 64.0887 69.2717 175.0721 25 G 3.9315 7.7479 110.1662 44.9928 0.0000 172.6333 26 A 4.8395 7.5121 122.8859 50.8329 20.1733 176.9298 27 R 4.2339 8.9714 123.4213 58.4300 30.9936 176.1488 28 E 5.1591 8.0360 119.2583 54.3930 32.8066 173.9479 29 L 4.9773 8.8551 124.0360 52.7320 46.5180 175.4462 30 K 4.8278 8.7048 122.3101 54.3368 35.0154 175.4918 31 V 3.9036 8.7667 129.0719 63.6051 31.8324 176.0004 32 I 4.2351 8.7369 128.7239 62.7754 39.3111 175.5710 33 S 4.6984 7.7086 115.3380 57.2887 68.3499 173.2499 34 V 4.5824 8.1684 119.3914 61.2403 33.8584 173.9934 35 H 4.0013 8.8938 127.7272 57.8101 30.0421 175.1825 36 G 3.8927 8.4178 112.0639 46.1666 0.0000 172.5662 37 Y 4.4779 7.9991 122.0218 56.3505 39.6944 174.3706 38 S 4.1597 7.5541 120.5324 56.4320 66.2625 173.0890 39 G 4.1834 7.6102 121.3730 44.3354 0.0000 174.6576 40 T 4.4444 8.5896 117.3252 60.4531 69.8813 171.7932 41 K 4.5249 8.0970 126.1063 56.7201 32.6754 176.4471 42 N 4.4568 8.9396 122.2987 53.6960 37.2960 174.2169 43 R 4.1618 8.6979 120.3507 55.5879 30.5617 175.5249 44 H 4.4145 8.8257 123.5720 54.7658 29.4338 173.2451 45 P 4.6961 0.0000 0.0000 63.6674 31.7371 175.0863 46 K 4.9725 7.9923 123.2215 55.0953 34.6966 175.5187 47 A 4.5877 9.0798 123.8797 50.6287 23.0383 175.8858 48 G 4.1807 9.1882 108.4058 44.4463 0.0000 171.6450 49 L 4.1850 8.0616 120.5574 56.4174 41.9345 177.6948 50 G 4.0622 9.1667 111.3089 45.9500 0.0000 172.6375 51 D 4.9109 7.7959 119.4744 52.6640 43.2236 175.5819 52 K 4.9358 8.9262 124.2687 54.7600 33.5393 175.4079 53 I 4.8442 8.2339 120.4315 59.5324 41.3289 174.0885 54 T 4.8873 8.4909 118.8440 62.1897 70.8142 174.3202 55 V 5.1839 9.4566 125.2898 61.3175 36.2054 173.8347 56 S 5.3094 8.4875 115.5344 55.4324 66.8752 173.6285 57 V 4.2180 8.3357 122.7756 62.8558 31.5007 176.4368 58 T 4.0783 8.3157 126.2496 66.0104 69.0401 175.7912 59 K 4.5569 8.7426 119.0511 53.6831 36.3725 176.9766 60 G 3.9796 8.2750 110.0152 46.0008 0.0000 171.9368 61 T 4.1685 7.9464 113.1572 60.4721 68.5498 174.0936 62 P 4.2397 0.0000 0.0000 66.0481 31.5031 178.0850 63 E 4.1493 8.0541 115.2493 58.3344 29.8668 177.4221 64 M 4.2567 8.2472 118.0369 56.8635 32.8788 177.2999 65 R 4.0623 7.2004 117.0590 57.6312 30.6495 177.8659 66 R 3.9732 8.2255 117.0849 56.7767 29.1287 176.5647 67 Q 4.2007 7.5579 118.6134 55.4809 30.1854 175.6732 68 V 4.8990 8.3301 124.1227 61.3521 31.0800 174.6996 69 L 4.7315 8.1612 126.9310 52.7733 45.4513 174.6877 70 E 4.8615 8.2615 120.1774 55.5263 32.5955 174.0717 71 A 4.8684 8.0892 122.7909 51.6375 23.4699 174.9415 72 V 4.5169 8.0693 116.0726 61.2826 35.4324 175.1374 73 V 3.9076 8.7197 128.2908 63.0798 31.8086 176.2602 74 V 4.0950 8.4202 128.4642 64.5074 33.2937 175.5216 75 R 4.2091 7.9681 117.7603 54.6754 34.9623 174.1995 76 Q 4.9308 7.9274 117.9045 55.2503 31.8161 175.6704 77 R 4.3017 8.8687 119.3792 58.6142 30.6052 177.7762 78 K 4.2220 7.8717 118.8759 55.4576 32.7155 175.3428 79 P 4.8911 0.0000 0.0000 62.8990 32.4002 175.6066 80 I 4.7370 8.7231 115.8199 59.1638 41.1665 174.0648 81 R 4.8713 8.5849 126.1934 55.6245 31.2836 175.8641 82 R 4.6967 8.7205 125.5197 54.4102 31.6848 175.7940 83 P 4.1569 0.0000 0.0000 65.5850 31.3928 176.9838 84 D 4.6575 8.1394 115.3635 52.8719 39.4220 177.4953 85 G 3.9555 8.4756 108.9671 46.0371 0.0000 174.4802 86 T 4.2736 7.6692 116.5157 63.5256 69.8646 173.7247 87 R 5.1537 8.3809 121.4930 54.6221 33.2686 175.8295 88 V 4.4886 8.6388 121.1999 61.0926 34.7697 174.3317 89 K 5.0402 8.4507 125.6810 55.4783 35.8834 175.5299 90 F 4.8028 8.8622 120.9338 55.8791 41.2083 175.2805 91 E 4.1585 9.1036 119.2631 58.7727 29.6998 175.0042 92 D 4.6616 7.6826 115.5929 53.0186 42.5332 173.6808 93 N 5.0683 8.7251 115.3326 51.7585 40.7832 174.1639 94 A 5.1836 8.7062 124.5069 50.4477 23.6129 174.1041 95 A 4.9442 8.9623 120.1747 50.6179 23.9019 175.1205 96 V 4.6392 8.4591 118.2255 60.8343 34.5121 175.0963 97 I 4.3346 8.4999 128.5626 61.7434 38.1055 175.4336 98 V 4.8162 8.4362 124.8659 60.3818 35.1563 174.1788 99 D 5.1330 7.9186 120.3581 51.8100 41.6735 176.3288 100 E 3.9165 8.8496 116.9499 60.0962 29.4548 177.6256 101 N 4.5753 8.7882 113.3646 53.1348 38.8550 175.2934 102 E 3.7624 8.0644 116.9334 57.0045 27.3991 173.5575 103 D 5.0592 8.2553 118.4796 51.1159 41.0151 174.2800 104 P 4.4271 0.0000 0.0000 63.2160 31.4090 177.2604 105 R 3.9969 8.3300 123.6519 58.8218 30.3305 176.6871 106 G 4.0273 7.1154 103.7145 44.9442 0.0000 172.0768 107 T 4.4105 8.7028 113.4849 64.2957 70.6363 174.6527 108 E 4.8224 9.0789 119.7401 54.3564 33.5306 175.0565 109 L 5.0328 8.4352 122.4744 53.1835 43.4322 176.0272 110 K 4.1807 8.2353 124.5611 56.7590 32.9655 177.7795 111 G 3.8690 8.9477 111.8636 43.6279 0.0000 170.3828 112 P 4.9465 0.0000 0.0000 62.7030 32.6601 175.7763 113 I 4.7933 8.5635 119.6633 59.3666 42.0232 174.6961 114 A 4.7893 8.2621 127.3096 51.8761 19.0929 178.5166 115 R 3.8471 8.7810 120.2518 59.9433 28.8758 179.0272 116 E 3.5672 8.3962 119.1129 59.2905 29.3142 179.6563 117 V 3.3589 7.9649 117.6071 65.8132 31.4136 177.4424 118 A 3.9988 8.8479 121.9348 55.1613 18.0593 179.2405 119 Q 3.8898 7.3292 114.7107 57.6382 29.4051 178.0500 120 R 4.0223 7.9834 117.3628 56.8077 32.5771 175.7714 121 F 4.8767 7.6534 119.2911 54.6873 38.6782 175.7576 122 G 3.7167 7.9998 111.4658 46.7534 0.0000 172.2805 123 S 4.5825 8.0311 116.1669 60.3253 63.0727 177.0744 124 V 3.5329 7.9047 120.7394 65.7088 31.2941 177.2717 125 A 4.0631 8.1936 120.7285 55.3008 18.3127 179.4420 126 S 4.3799 8.8671 109.7910 59.7867 62.6694 175.0394 127 A 4.5660 7.7053 123.9581 52.1431 20.4066 177.2948 128 A 4.2045 8.4910 120.0668 52.4616 19.0429 177.8101 129 T 4.1458 8.4716 118.6826 65.9664 69.3891 174.9163 130 M 4.7131 7.8809 120.2916 53.5415 35.1503 174.3337 131 I 4.7141 8.4233 124.9577 59.3598 39.1914 175.8641 132 V 3.8801 8.7320 127.0834 62.9764 31.5336 175.7218 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 4.48 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 2 E 8.32 3.91 0.00 1.95 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 0.00 2.28 2.33 0.00 3 A 9.26 4.06 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 4 L 8.51 4.12 0.00 1.64 1.74 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.21 3.66 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 0.00 6 A 7.21 4.44 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 7 D 8.39 4.92 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 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 0.82 0.00 0.00 0.95 0.00 0.00 9 T 8.35 4.33 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 10 Q 8.68 3.84 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 11 G 8.80 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 0.00 0.00 0.00 12 L 8.03 4.85 0.00 1.76 1.49 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.92 5.13 0.00 1.93 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 2.21 2.21 0.00 14 K 8.06 4.23 0.00 1.75 1.70 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.55 7.81 15 G 8.92 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 16 S 7.96 4.28 0.00 3.84 3.78 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 0.00 0.00 0.00 17 L 8.78 5.61 0.00 1.50 1.61 0.96 0.88 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 18 I 8.06 4.56 1.96 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 1.32 1.08 0.88 0.00 0.00 19 T 8.47 4.68 4.22 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 1.20 0.00 0.00 20 C 8.84 4.69 0.00 2.95 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 21 A 8.38 4.54 1.32 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 0.00 0.00 0.00 22 D 7.59 4.83 0.00 2.79 2.60 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 23 N 8.11 4.99 0.00 2.87 3.04 0.00 0.00 5.69 7.22 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 24 T 8.90 3.86 4.23 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 1.29 0.00 0.00 25 G 7.75 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 0.00 0.00 0.00 26 A 7.51 4.84 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 27 R 8.97 4.23 0.00 1.87 1.96 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 28 E 8.04 5.16 0.00 2.01 1.84 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 2.26 2.45 0.00 29 L 8.86 4.98 0.00 1.55 1.47 0.89 0.72 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 30 K 8.70 4.83 0.00 1.77 1.72 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.77 3.90 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 0.94 0.00 0.00 0.94 0.00 0.00 32 I 8.74 4.24 1.98 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 1.22 0.95 0.91 0.00 0.00 33 S 7.71 4.70 0.00 3.74 3.75 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 34 V 8.17 4.58 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 0.98 0.00 0.00 0.87 0.00 0.00 35 H 8.89 4.00 0.00 3.27 3.33 0.00 6.15 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 36 G 8.42 3.89 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 0.00 0.00 0.00 37 Y 8.00 4.48 0.00 3.05 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 38 S 7.55 4.16 0.00 3.78 3.61 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 0.00 0.00 0.00 39 G 7.61 4.18 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 0.00 0.00 0.00 40 T 8.59 4.44 4.23 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 1.23 0.00 0.00 41 K 8.10 4.52 0.00 1.76 1.69 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.53 7.81 42 N 8.94 4.46 0.00 2.95 3.00 0.00 0.00 7.08 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 43 R 8.70 4.16 0.00 1.69 2.11 0.00 3.40 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 44 H 8.83 4.41 0.00 3.28 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.70 0.00 2.20 2.51 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 46 K 7.99 4.97 0.00 1.64 1.74 0.00 1.47 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.08 1.04 7.81 47 A 9.08 4.59 1.11 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 48 G 9.19 4.18 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 0.00 0.00 0.00 49 L 8.06 4.19 0.00 1.69 1.65 0.99 0.85 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 50 G 9.17 4.06 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 0.00 0.00 0.00 51 D 7.80 4.91 0.00 2.81 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 52 K 8.93 4.94 0.00 1.72 1.66 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.34 7.81 53 I 8.23 4.84 2.02 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 1.29 0.62 0.88 0.00 0.00 54 T 8.49 4.89 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 1.27 0.00 0.00 55 V 9.46 5.18 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 1.05 0.00 0.00 0.90 0.00 0.00 56 S 8.49 5.31 0.00 3.89 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 57 V 8.34 4.22 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 0.96 0.00 0.00 1.00 0.00 0.00 58 T 8.32 4.08 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 1.31 0.00 0.00 59 K 8.74 4.56 0.00 1.63 1.62 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.53 7.81 60 G 8.27 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 0.00 0.00 0.00 61 T 7.95 4.17 4.24 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 1.24 0.00 0.00 62 P 0.00 4.24 0.00 2.19 2.18 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 63 E 8.05 4.15 0.00 1.95 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 2.30 2.27 0.00 64 M 8.25 4.26 0.00 1.93 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 65 R 7.20 4.06 0.00 2.11 1.86 0.00 3.24 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 66 R 8.23 3.97 0.00 1.99 2.06 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.56 4.20 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 68 V 8.33 4.90 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 0.64 0.00 0.00 0.92 0.00 0.00 69 L 8.16 4.73 0.00 1.59 1.52 0.90 0.76 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 70 E 8.26 4.86 0.00 2.00 1.73 0.00 0.00 0.00 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 2.34 0.00 71 A 8.09 4.87 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 72 V 8.07 4.52 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 0.89 0.00 0.00 -0.04 0.00 0.00 73 V 8.72 3.91 2.28 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 0.81 0.00 0.00 0.94 0.00 0.00 74 V 8.42 4.09 1.99 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 0.83 0.00 0.00 0.90 0.00 0.00 75 R 7.97 4.21 0.00 1.49 1.16 0.00 3.12 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.22 0.00 76 Q 7.93 4.93 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 77 R 8.87 4.30 0.00 1.87 2.06 0.00 3.18 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 78 K 7.87 4.22 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.89 0.00 1.99 1.98 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 80 I 8.72 4.74 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.99 0.00 0.00 81 R 8.58 4.87 0.00 1.96 1.85 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 82 R 8.72 4.70 0.00 1.81 1.82 0.00 3.21 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 83 P 0.00 4.16 0.00 2.03 2.15 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 84 D 8.14 4.66 0.00 2.77 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 85 G 8.48 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 86 T 7.67 4.27 4.23 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 1.19 0.00 0.00 87 R 8.38 5.15 0.00 1.65 1.80 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 88 V 8.64 4.49 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 0.90 0.00 0.00 89 K 8.45 5.04 0.00 1.99 1.72 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.42 7.81 90 F 8.86 4.80 0.00 2.99 3.10 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 91 E 9.10 4.16 0.00 1.98 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 2.32 2.26 0.00 92 D 7.68 4.66 0.00 2.68 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 93 N 8.73 5.07 0.00 2.62 2.73 0.00 0.00 6.46 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 A 8.71 5.18 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 95 A 8.96 4.94 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 96 V 8.46 4.64 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 1.01 0.00 0.00 0.93 0.00 0.00 97 I 8.50 4.33 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.21 0.90 0.00 0.00 98 V 8.44 4.82 1.92 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 0.58 0.00 0.00 0.76 0.00 0.00 99 D 7.92 5.13 0.00 2.83 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 0.00 100 E 8.85 3.92 0.00 1.97 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 2.31 2.33 0.00 101 N 8.79 4.58 0.00 2.96 2.85 0.00 0.00 7.17 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 0.00 102 E 8.06 3.76 0.00 2.20 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 0.00 2.15 2.27 0.00 103 D 8.26 5.06 0.00 2.91 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 0.00 104 P 0.00 4.43 0.00 2.19 2.20 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 2.07 1.97 0.00 105 R 8.33 4.00 0.00 1.71 1.98 0.00 3.23 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.12 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 0.00 107 T 8.70 4.41 4.24 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 1.21 0.00 0.00 108 E 9.08 4.82 0.00 1.82 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 2.21 2.24 0.00 109 L 8.44 5.03 0.00 1.52 1.59 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.24 4.18 0.00 1.61 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.38 7.81 111 G 8.95 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 0.00 0.00 0.00 112 P 0.00 4.95 0.00 2.28 2.15 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 113 I 8.56 4.79 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 1.15 0.70 0.93 0.00 0.00 114 A 8.26 4.79 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 0.00 115 R 8.78 3.85 0.00 2.09 2.26 0.00 2.83 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 1.66 1.72 0.00 116 E 8.40 3.57 0.00 2.10 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 2.44 2.65 0.00 117 V 7.96 3.36 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 1.31 0.00 0.00 1.00 0.00 0.00 118 A 8.85 4.00 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 0.00 119 Q 7.33 3.89 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 120 R 7.98 4.02 0.00 0.91 0.66 0.00 2.86 0.00 0.00 2.87 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.27 0.00 121 F 7.65 4.88 0.00 3.09 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 0.00 122 G 8.00 3.72 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 0.00 0.00 0.00 123 S 8.03 4.58 0.00 4.07 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 0.00 124 V 7.90 3.53 2.38 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 1.06 0.00 0.00 0.94 0.00 0.00 125 A 8.19 4.06 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 0.00 126 S 8.87 4.38 0.00 4.03 4.13 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 0.00 127 A 7.71 4.57 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 0.00 128 A 8.49 4.20 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 0.00 129 T 8.47 4.15 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 1.22 0.00 0.00 130 M 7.88 4.71 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.42 4.71 1.90 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 1.26 0.62 0.95 0.00 0.00 132 V 8.73 3.88 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 0.81 0.00 0.00 0.99 0.00 0.00