NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4640 8.3344 116.7959 57.8844 64.5947 172.6964 2 N 4.1866 7.8662 125.3708 53.4644 42.7105 173.8612 3 I 3.9720 8.7789 118.5652 63.3805 40.0773 176.9923 4 I 3.9259 7.5228 121.6318 61.1684 36.2903 175.1127 5 K 3.7207 8.3163 117.7957 57.7393 32.8956 177.3091 6 Q 4.0487 7.9483 116.7245 59.6373 29.0651 179.5501 7 L 3.7805 7.8632 120.1137 57.5800 42.3344 177.9189 8 E 4.3376 7.8898 117.6789 58.0863 30.1953 178.2544 9 Q 3.9599 9.2742 118.8623 58.8839 28.5062 178.0482 10 E 4.0851 7.6319 117.5021 58.1996 29.6088 177.3907 11 Q 4.4555 7.8758 117.2881 56.2256 30.1623 175.8602 12 M 4.1044 7.5478 118.0849 54.4146 32.6811 176.3636 13 K 4.3078 8.6987 122.3399 56.4584 33.1151 177.5161 14 Q 4.6137 7.9000 120.6671 52.8092 27.9242 174.0698 15 D 4.3601 7.9638 121.1297 53.7514 42.7046 176.7984 16 V 3.4860 8.1640 114.2699 61.2483 31.3828 174.1718 17 P 4.4837 0.0000 0.0000 61.8219 32.2637 175.6435 18 S 4.1505 8.2846 113.5032 57.7614 63.4829 171.3304 19 F 4.3909 8.3677 126.2888 55.3968 39.0263 174.0022 20 R 4.2052 8.9889 126.7524 55.6510 31.6343 173.2559 21 P 4.6065 0.0000 0.0000 64.5937 31.5262 174.4240 22 G 4.1760 9.1123 108.7845 46.1438 0.0000 174.0075 23 D 4.5604 7.9303 118.6067 54.8273 41.2669 176.7042 24 T 4.4020 8.8190 113.9881 62.2292 68.0073 176.1090 25 V 3.1893 6.2276 117.1387 61.0631 31.4642 172.8903 26 E 4.8819 8.8738 127.8071 54.3164 31.8326 174.3592 27 V 4.5552 9.0580 127.8020 61.3256 33.2637 174.9131 28 K 4.7862 8.9258 127.9675 55.8664 33.5435 176.7375 29 V 4.6579 8.5441 123.1191 61.0654 35.1267 174.0727 30 W 4.9469 8.4162 129.2277 57.0962 29.7783 176.1572 31 V 4.5739 9.1193 123.5736 60.0406 34.7598 174.7093 32 V 3.8320 8.6909 123.8648 62.2963 31.6237 174.9991 33 E 3.4983 8.9605 125.5161 59.7576 28.9929 177.2999 34 G 4.3709 8.9243 102.8098 46.2896 0.0000 173.9980 35 S 4.6464 8.1081 112.3902 57.6395 65.0969 173.0418 36 K 4.8036 7.8270 118.8599 54.5878 35.9480 175.8434 37 K 5.2851 8.4590 115.7675 55.5973 32.6004 174.6867 38 R 4.8797 7.7334 120.7206 55.7565 33.3623 176.1284 39 L 4.8013 8.2197 117.9102 53.8306 43.2801 176.1088 40 Q 4.7705 9.2974 123.3678 54.2482 32.3954 173.7316 41 A 5.1762 8.5241 125.6511 50.1415 21.3499 175.6691 42 F 4.7348 9.4758 124.8384 56.2598 42.7174 173.5535 43 E 5.0114 8.2718 126.1596 55.2606 32.5698 174.2616 44 G 4.7177 8.4869 112.9575 46.9987 0.0000 171.2016 45 V 4.3702 8.2531 119.7512 61.6848 33.4337 176.4686 46 V 4.3013 8.5539 128.6725 63.2631 32.1599 175.9197 47 I 4.5245 8.9047 120.9665 60.6947 39.3244 174.7355 48 A 4.7859 7.6046 122.9720 51.5081 22.6103 175.2985 49 I 4.9206 8.1801 119.6826 60.8101 40.9592 173.6383 50 R 3.5436 9.1456 118.2589 58.7059 29.4996 177.3932 51 N 4.3927 10.9700 109.8417 52.8670 35.7424 174.7134 52 R 4.6733 9.4158 123.3892 57.1222 34.3515 176.2575 53 G 3.9175 7.6302 116.0695 45.9628 0.0000 176.1705 54 L 3.7845 8.6411 126.4579 57.4915 41.7243 176.8022 55 H 4.8420 8.7221 114.5938 55.4523 29.3292 175.3060 56 S 4.4395 7.9120 116.9580 59.6218 64.0476 173.4934 57 A 5.2898 8.8185 122.8782 51.6225 22.7004 175.4304 58 F 5.4599 8.4597 116.6612 55.6288 41.6634 174.4348 59 T 5.0277 8.7191 115.4598 61.7876 71.6252 173.3444 60 V 4.8666 8.9337 127.1983 61.1560 33.9852 174.5770 61 R 4.8028 9.0467 129.3477 56.0716 31.1018 176.3719 62 K 4.0774 8.3099 123.7730 56.3890 34.8870 176.2285 63 I 3.3087 7.6727 117.8006 62.1962 33.9713 172.6641 64 S 4.1456 8.6842 114.7324 58.2036 63.5821 174.7355 65 N 3.7727 8.1941 121.8053 56.0912 36.7292 172.8002 66 G 4.0943 9.7677 116.7750 43.8349 0.0000 173.2800 67 E 4.6164 8.7528 124.6064 54.5979 34.2942 174.7250 68 G 4.0192 8.7311 105.7815 46.4595 0.0000 173.8483 69 V 4.6787 8.2317 119.4196 60.1085 34.7972 173.4124 70 E 5.0453 8.9179 124.0053 54.6139 31.7700 175.1859 71 R 4.2074 8.4929 123.3499 54.4153 33.3861 174.7335 72 V 4.9514 7.6275 118.7552 58.5672 32.7043 175.2094 73 F 4.1225 7.6126 124.2561 57.2667 40.6576 175.0574 74 Q 4.5660 8.5593 121.7960 54.4700 28.5651 176.2585 75 T 4.0381 8.5785 116.0993 64.9199 68.7835 175.2737 76 H 4.6025 8.0749 116.0237 55.9755 29.3687 175.2337 77 S 4.3327 8.6143 116.8205 57.2807 62.7894 172.9537 78 P 4.3006 0.0000 0.0000 66.0696 31.2323 177.7138 79 V 4.0606 8.0761 109.6454 62.7116 31.5772 178.2347 80 V 3.5872 7.8726 120.5788 64.9291 31.5564 175.5412 81 D 4.9980 8.3656 122.1634 53.8700 40.8182 173.5108 82 S 4.6467 7.3777 110.8503 56.4169 65.9648 171.7315 83 I 4.8735 8.4998 126.6925 59.2994 40.3926 174.0736 84 S 4.7169 8.7649 123.4760 56.6915 66.1695 174.5453 85 V 3.4255 8.4352 119.0651 63.0496 31.3777 177.4526 86 K 4.5066 9.0913 129.4520 54.2176 30.2575 176.0567 87 R 4.6294 7.4066 116.7997 54.6414 34.5946 173.6443 88 R 4.7455 8.5956 124.7068 54.5082 31.4804 174.5212 89 G 4.2747 8.8822 112.7381 44.6346 0.0000 170.5853 90 A 4.9050 8.3192 124.1513 50.2408 20.0219 177.0004 91 V 4.4141 8.6565 112.6423 60.5039 37.4834 175.0759 92 R 3.5879 8.0078 110.9489 54.4229 27.4219 173.9226 93 K 4.7875 7.3632 130.5177 57.1716 34.9506 174.0889 94 A 4.1241 8.5786 129.4826 53.8520 18.9782 177.2525 95 K 4.3034 7.7078 115.1810 54.7216 33.4982 176.2687 96 L 4.4234 8.2708 127.0376 55.2851 42.7635 178.9221 97 Y 4.4398 7.6328 119.3633 61.1880 37.9033 177.2836 98 Y 4.3095 8.2275 118.0339 59.5948 37.7266 178.1695 99 L 3.8750 7.1109 120.3313 57.4902 41.6758 179.0605 100 R 4.1312 8.1535 117.4144 57.7994 30.1082 176.8009 101 E 4.8007 7.8481 118.0419 56.4098 30.3133 177.0366 102 R 4.1978 7.9121 116.4626 57.3758 32.8366 175.2505 103 T 3.0411 8.8996 111.0662 62.8536 65.2161 171.2426 104 G 3.7465 8.7268 118.5443 44.8969 0.0000 172.3550 105 K 3.7279 8.0739 114.1478 57.7071 32.1407 176.7451 106 A 4.0946 8.1092 127.6506 54.5862 19.0750 178.3778 107 A 4.4152 7.6741 117.2615 52.6988 19.6693 177.8521 108 R 4.2612 7.5540 115.0042 56.0711 30.7616 175.9466 109 I 4.6688 7.7298 111.4045 58.8326 40.6496 174.9128 110 K 4.2203 8.5641 121.7043 57.1564 33.3333 175.0561 111 E 5.0941 8.4785 119.5918 55.0474 31.6289 177.0440 112 R 4.0383 9.2473 120.9795 56.4648 30.7428 177.2433 113 L 3.6054 7.7032 116.3471 56.4641 38.9801 174.2084 114 N 4.5420 7.5716 121.7851 53.7918 37.3900 175.1579 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 S 8.33 4.46 0.00 3.88 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 2 N 7.87 4.19 0.00 2.68 2.75 0.00 0.00 7.14 7.06 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 3 I 8.78 3.97 1.87 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 1.41 1.20 0.91 0.00 0.00 4 I 7.52 3.93 1.88 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 1.31 0.59 0.92 0.00 0.00 5 K 8.32 3.72 0.00 1.94 1.67 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 6 Q 7.95 4.05 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 7 L 7.86 3.78 0.00 1.88 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.89 4.34 0.00 1.99 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 0.00 2.33 2.43 0.00 9 Q 9.27 3.96 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 10 E 7.63 4.09 0.00 2.02 2.26 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 2.43 2.28 0.00 11 Q 7.88 4.46 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 12 M 7.55 4.10 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.18 0.00 13 K 8.70 4.31 0.00 1.86 1.80 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.58 7.81 14 Q 7.90 4.61 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 15 D 7.96 4.36 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 16 V 8.16 3.49 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 0.73 0.00 0.00 0.88 0.00 0.00 17 P 0.00 4.48 0.00 2.21 2.08 0.00 3.82 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 2.19 2.35 0.00 18 S 8.28 4.15 0.00 3.78 3.77 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 19 F 8.37 4.39 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 20 R 8.99 4.21 0.00 2.04 2.02 0.00 3.20 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 21 P 0.00 4.61 0.00 2.21 2.05 0.00 3.81 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 2.00 1.99 0.00 22 G 9.11 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 23 D 7.93 4.56 0.00 2.95 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 24 T 8.82 4.40 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 1.32 0.00 0.00 25 V 6.23 3.19 1.66 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 0.75 0.00 0.00 0.57 0.00 0.00 26 E 8.87 4.88 0.00 1.99 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 2.18 2.21 0.00 27 V 9.06 4.56 1.59 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 0.38 0.00 0.00 0.59 0.00 0.00 28 K 8.93 4.79 0.00 1.63 1.49 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.29 7.81 29 V 8.54 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 1.08 0.00 0.00 1.02 0.00 0.00 30 W 8.42 4.95 0.00 3.23 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 V 9.12 4.57 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 0.73 0.00 0.00 1.00 0.00 0.00 32 V 8.69 3.83 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 0.84 0.00 0.00 0.96 0.00 0.00 33 E 8.96 3.50 0.00 1.96 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 2.45 0.00 34 G 8.92 4.37 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 0.00 35 S 8.11 4.65 0.00 3.84 3.88 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 36 K 7.83 4.80 0.00 1.85 1.74 0.00 1.56 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 37 K 8.46 5.29 0.00 1.86 1.80 0.00 1.20 0.00 0.00 2.47 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.28 7.81 38 R 7.73 4.88 0.00 1.95 2.22 0.00 2.97 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 39 L 8.22 4.80 0.00 1.23 1.32 -0.28 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.30 4.77 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 41 A 8.52 5.18 1.19 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 42 F 9.48 4.73 0.00 3.19 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 43 E 8.27 5.01 0.00 1.96 1.70 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 2.15 2.30 0.00 44 G 8.49 4.72 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 45 V 8.25 4.37 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 1.01 0.00 0.00 0.93 0.00 0.00 46 V 8.55 4.30 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 0.72 0.00 0.00 47 I 8.90 4.52 1.80 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 1.33 1.12 0.95 0.00 0.00 48 A 7.60 4.79 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 49 I 8.18 4.92 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 1.01 0.00 0.00 50 R 9.15 3.54 0.00 1.83 1.92 0.00 3.21 0.00 0.00 3.32 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 51 N 10.97 4.39 0.00 2.90 3.15 0.00 0.00 6.64 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 52 R 9.42 4.67 0.00 1.85 1.88 0.00 3.47 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 53 G 7.63 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 54 L 8.64 3.78 0.00 1.46 1.44 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.72 4.84 0.00 3.22 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.91 4.44 0.00 3.86 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 57 A 8.82 5.29 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 58 F 8.46 5.46 0.00 3.26 3.35 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 59 T 8.72 5.03 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 1.28 0.00 0.00 60 V 8.93 4.87 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 1.27 0.00 0.00 1.35 0.00 0.00 61 R 9.05 4.80 0.00 1.93 1.80 0.00 3.26 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 62 K 8.31 4.08 0.00 1.81 1.79 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.47 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.15 1.28 7.81 63 I 7.67 3.31 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 1.30 0.55 0.94 0.00 0.00 64 S 8.68 4.15 0.00 3.69 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 65 N 8.19 3.77 0.00 2.91 3.04 0.00 0.00 6.42 7.00 0.00 0.00 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 G 9.77 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 67 E 8.75 4.62 0.00 2.04 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 2.36 0.00 68 G 8.73 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 69 V 8.23 4.68 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 0.91 0.00 0.00 1.15 0.00 0.00 70 E 8.92 5.05 0.00 1.85 1.88 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 2.27 2.31 0.00 71 R 8.49 4.21 0.00 1.11 0.66 0.00 2.52 0.00 0.00 2.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.78 0.00 72 V 7.63 4.95 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 1.01 0.00 0.00 0.77 0.00 0.00 73 F 7.61 4.12 0.00 2.00 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 74 Q 8.56 4.57 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 75 T 8.58 4.04 4.73 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 0.00 0.00 1.55 0.00 0.00 76 H 8.07 4.60 0.00 3.22 3.40 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.61 4.33 0.00 3.85 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 78 P 0.00 4.30 0.00 2.12 2.16 0.00 3.78 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 2.06 2.17 0.00 79 V 8.08 4.06 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 0.77 0.00 0.00 1.04 0.00 0.00 80 V 7.87 3.59 2.34 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 0.77 0.00 0.00 0.92 0.00 0.00 81 D 8.37 5.00 0.00 2.98 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 82 S 7.38 4.65 0.00 3.80 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 83 I 8.50 4.87 1.90 0.00 0.00 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 1.13 0.89 1.08 0.00 0.00 84 S 8.76 4.72 0.00 3.88 3.88 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 85 V 8.44 3.43 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 0.79 0.00 0.00 0.96 0.00 0.00 86 K 9.09 4.51 0.00 1.81 2.21 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.28 7.81 87 R 7.41 4.63 0.00 1.81 1.68 0.00 3.11 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 88 R 8.60 4.75 0.00 1.89 1.77 0.00 3.34 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 89 G 8.88 4.27 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 0.00 90 A 8.32 4.90 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 91 V 8.66 4.41 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 0.81 0.00 0.00 0.97 0.00 0.00 92 R 8.01 3.59 0.00 1.99 1.97 0.00 3.17 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 93 K 7.36 4.79 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.28 7.81 94 A 8.58 4.12 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 95 K 7.71 4.30 0.00 1.49 0.74 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.09 1.06 7.81 96 L 8.27 4.42 0.00 1.65 1.37 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.63 4.44 0.00 3.12 2.94 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 98 Y 8.23 4.31 0.00 3.21 3.24 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 99 L 7.11 3.87 0.00 1.60 1.65 0.38 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.15 4.13 0.00 1.88 2.01 0.00 3.17 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 1.78 1.78 0.00 101 E 7.85 4.80 0.00 1.99 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 2.29 2.30 0.00 102 R 7.91 4.20 0.00 1.90 1.93 0.00 3.50 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 103 T 8.90 3.04 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 104 G 8.73 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 0.00 0.00 0.00 105 K 8.07 3.73 0.00 1.91 1.71 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.36 7.81 106 A 8.11 4.09 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 0.00 107 A 7.67 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 0.00 108 R 7.55 4.26 0.00 1.95 1.90 0.00 3.17 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 109 I 7.73 4.67 1.91 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 1.42 0.61 0.92 0.00 0.00 110 K 8.56 4.22 0.00 1.71 1.82 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.44 7.81 111 E 8.48 5.09 0.00 1.80 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 2.21 2.36 0.00 112 R 9.25 4.04 0.00 1.79 1.98 0.00 3.29 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 113 L 7.70 3.61 0.00 1.82 1.83 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.57 4.54 0.00 2.78 2.85 0.00 0.00 6.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00