NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7847 8.3249 115.8940 55.8638 39.9450 174.2574 3 L 4.2533 7.3643 121.8848 50.8496 43.7541 175.4319 4 T 4.0323 8.4762 116.1941 61.4305 71.6304 175.0987 5 A 3.9952 8.3268 122.9633 54.9895 18.4891 179.4000 6 E 3.7764 8.0660 117.3857 59.6137 29.8164 178.7644 7 E 3.8298 7.8485 117.8610 59.3728 29.4665 179.3870 8 K 3.8692 8.4152 118.9887 59.5937 32.1091 179.5999 9 G 3.5401 8.0721 105.8195 47.5116 0.0000 175.6946 10 L 3.9811 7.7174 121.1459 57.7381 41.6866 179.8798 11 V 3.3298 7.3983 117.3627 65.7751 31.4527 177.9139 12 N 4.5880 8.4907 116.6219 56.5429 38.1522 176.9007 13 G 3.8806 8.0171 105.1244 48.8881 0.0000 174.8796 14 L 3.9513 8.2620 121.9096 57.0490 42.1974 179.3925 15 W 4.3848 8.7513 128.5622 60.1237 30.4258 177.5553 16 G 4.0457 8.2975 102.3789 45.5132 0.0000 173.8295 17 K 4.6421 7.8803 118.6237 55.9222 34.4337 177.0916 18 V 3.6816 7.3065 113.0965 60.7567 32.1499 176.1488 19 N 4.4949 8.4373 122.7284 52.9086 39.0966 175.8771 20 V 3.8139 8.0608 128.0512 63.2441 32.2035 177.0957 21 D 4.4897 7.8498 118.8884 56.2071 41.1104 177.1838 22 E 4.4124 7.6568 117.8368 57.9894 30.9483 178.2990 23 V 3.6237 7.7913 118.3391 65.8345 31.5590 178.3584 24 G 3.6835 8.0467 105.2785 47.6483 0.0000 175.7807 25 G 3.6089 7.9998 107.6219 47.5444 0.0000 175.3057 26 E 3.8752 8.1401 121.2582 58.7748 29.5720 178.8292 27 A 3.8682 8.0968 120.9239 55.2053 18.4069 179.4325 28 L 3.9935 8.1121 118.9960 57.9374 41.9766 179.0791 29 G 3.7743 8.2310 106.1829 48.2939 0.0000 175.9390 30 R 3.9210 8.2221 121.0953 58.0836 29.9991 178.8372 31 L 4.0687 8.2124 121.0787 58.1927 42.1786 178.8421 32 L 4.1228 7.6587 118.4124 56.7452 41.4286 179.5085 33 V 3.5370 7.2185 118.0258 65.9716 31.7300 178.0105 34 V 3.5494 7.8010 116.9378 64.5392 32.6816 175.5422 35 Y 4.5789 7.4153 116.1607 54.4066 37.9208 174.0672 36 P 4.9177 0.0000 0.0000 64.1466 31.3018 178.1889 37 W 4.4522 8.2628 116.6139 59.1135 28.3115 177.9893 38 T 4.1771 7.5893 111.1978 64.4603 67.8486 176.2804 39 Q 4.1915 7.9986 121.3653 59.1294 28.5537 178.6332 40 R 3.4707 7.4517 117.7376 58.9992 30.0808 177.2282 41 F 4.3983 8.0178 114.9216 57.3330 40.2750 175.5918 42 F 4.6299 9.0016 119.1296 56.4871 39.5376 177.0652 43 E 4.0411 8.4028 121.8915 59.6209 29.4045 179.0540 44 S 4.4745 8.1494 111.2064 59.7296 63.5940 174.8740 45 F 4.7514 8.4596 119.9086 57.6772 39.4488 176.5671 46 G 3.8622 7.3612 112.4134 46.8784 0.0000 176.8577 47 D 4.6405 8.8739 127.1453 53.5118 41.0308 175.5501 48 L 4.9579 8.2368 129.1237 54.5579 42.9628 177.9236 49 S 4.4109 7.9304 114.9581 60.1653 63.8040 174.3197 50 S 4.6865 7.5997 114.2471 55.3873 67.3653 174.5777 51 A 3.9542 8.4329 123.3380 55.6160 18.0090 179.7294 52 D 4.3327 8.0668 116.5630 57.2248 40.7140 178.6456 53 A 4.0376 7.5706 120.7815 54.8290 18.5369 179.4344 54 I 3.8975 7.5973 118.5960 64.7264 37.0459 178.4926 55 M 4.0747 7.8194 118.2583 57.6962 31.9307 177.3670 56 S 4.4204 7.5641 111.2255 58.4072 64.0811 174.3878 57 N 4.3436 7.7365 121.6929 53.8440 39.5000 175.1355 58 A 4.0711 8.5761 130.0340 54.9546 18.6883 179.4521 59 K 3.6002 7.9462 116.8006 59.3188 32.0849 179.5906 60 V 3.7185 7.9773 118.5082 66.0799 31.5597 178.1205 61 K 3.8963 8.4395 118.4443 59.4894 31.7142 179.1031 62 A 4.0616 8.3383 121.2618 55.1972 18.5129 179.1895 63 H 4.4638 8.4591 116.9989 59.2290 29.9451 177.7207 64 G 3.6316 8.2570 107.7892 47.5847 0.0000 175.4144 65 K 3.9245 7.6745 121.3611 59.4273 32.1560 179.0615 66 K 4.1081 7.7866 117.2689 59.2300 31.8788 179.5688 67 V 3.6687 7.9702 118.6427 65.9838 31.5037 177.6673 68 L 4.2796 8.6865 120.3867 58.5585 41.9320 178.4605 69 N 4.4644 8.8333 116.9550 56.7228 38.5630 177.5052 70 S 4.2190 8.2153 114.9148 61.1366 63.0332 176.6696 71 F 4.0681 8.3186 121.3190 60.6347 38.8639 177.5618 72 S 4.1664 8.6143 114.8175 62.0302 62.8544 176.7343 73 D 4.4942 8.4207 121.4576 57.0672 40.5631 179.1123 74 G 3.6476 7.9802 106.4789 47.7533 0.0000 175.7486 75 L 4.0315 8.0071 120.8308 57.5239 41.6638 179.4868 76 K 4.2330 7.8840 116.8394 58.0004 32.2310 177.5050 77 N 4.9729 7.6243 116.0250 52.8162 39.0385 176.7055 78 I 3.8606 7.0813 121.6967 64.5531 37.2298 176.6238 79 D 4.8068 8.0043 116.8391 54.7159 41.5782 176.4053 80 D 4.6900 8.3473 119.3417 51.7296 41.6311 175.2445 81 L 4.1461 7.8368 123.5094 56.8870 41.9610 178.3259 82 K 3.9973 8.0669 117.5428 59.5649 32.0290 179.0295 83 G 3.6638 8.0391 105.4889 47.7014 0.0000 175.6579 84 A 3.8053 7.5205 122.1594 53.9899 18.5021 178.6947 85 F 4.5619 7.8543 113.0016 56.9095 39.6569 177.2566 86 A 4.0582 7.4920 122.5119 55.6478 18.1788 180.2603 87 K 4.0286 7.9746 116.0413 59.4109 32.1950 179.5695 88 L 4.1072 7.9153 119.0393 57.4441 41.5234 179.1086 89 S 4.6360 8.4220 114.9954 61.1279 62.3172 176.1987 90 E 3.8566 8.0297 120.6952 59.0619 29.1543 178.9499 91 L 3.9669 8.0173 120.3738 58.7876 42.1887 178.9456 92 H 4.2107 8.7039 116.3554 58.9765 28.7632 177.2596 93 C 3.5444 8.0978 121.0741 62.3713 31.0955 175.3640 94 D 4.4179 8.5863 120.8506 56.2304 40.6080 177.4633 95 K 4.2962 7.8083 117.0895 57.5505 33.6795 177.5179 96 L 4.1951 7.7688 116.5447 55.2013 42.3298 176.1416 97 H 4.2232 7.2320 113.4424 56.6138 26.7697 174.8666 98 V 4.0562 7.7143 117.6610 61.2362 32.8544 174.7667 99 D 4.3028 8.5539 126.7904 53.5845 41.6152 175.0460 100 P 2.0000 0.0000 0.0000 63.6899 31.4149 177.8881 101 E 3.8860 7.5917 118.3887 58.6248 29.8283 178.0421 102 N 4.5340 7.9176 115.9305 55.3372 38.5907 177.1498 103 F 4.6109 7.6009 120.0559 60.4357 38.8772 177.4352 104 R 3.9820 8.1086 117.3399 59.5037 29.9423 178.6916 105 L 3.9191 7.4540 117.0162 57.7732 41.4590 179.5426 106 L 4.1278 7.9760 119.7925 58.0674 42.1291 178.8108 107 G 3.8316 8.1366 105.5377 48.2037 0.0000 175.3732 108 N 4.4939 8.7740 119.1882 55.9884 38.4660 177.8117 109 V 3.6651 8.0279 119.8220 65.7347 31.6449 177.8455 110 L 3.8468 8.2493 120.6121 58.0904 41.8914 179.1891 111 V 3.5135 7.6726 117.9429 66.0244 31.5802 177.7719 112 C 4.1722 7.8675 115.9640 62.1239 27.8417 176.1296 113 V 3.4390 7.2412 120.3560 65.6697 31.0557 178.0942 114 L 3.8755 7.4994 118.3120 57.2903 41.2328 179.5152 115 A 3.5410 7.2258 120.8278 55.1566 18.1641 178.9432 116 H 3.9828 7.6221 114.9082 60.0502 30.0230 176.9867 117 H 4.2205 8.4216 116.5368 57.8694 28.3172 176.8078 118 F 4.7363 8.0342 118.1149 55.2937 41.1333 176.8973 119 G 4.0133 9.2634 107.1816 46.6633 0.0000 177.3074 120 H 4.2383 9.1776 124.5926 58.5846 29.7838 175.8337 121 D 4.4966 7.8620 118.4721 57.1535 41.3005 177.1605 122 F 4.4996 8.1729 122.7381 57.5090 37.9249 174.6607 123 N 4.5312 7.5218 121.0328 52.2189 39.7812 173.7365 124 P 4.1367 0.0000 0.0000 65.7505 30.7631 179.0019 125 Q 3.9463 7.9709 116.5831 58.4641 28.9210 178.3338 126 V 3.5198 7.9266 119.2795 66.0460 31.5632 177.6904 127 Q 3.5828 7.6959 119.3045 59.1030 28.5785 178.1980 128 A 3.9573 8.0649 121.4036 55.2399 18.4863 179.5458 129 A 3.8327 7.6409 118.3624 55.3047 18.3763 179.9530 130 F 4.0787 8.1797 115.9095 60.6768 38.9604 177.9111 131 Q 4.1260 8.5555 117.9891 58.7691 28.4092 179.0792 132 K 4.0042 7.7587 119.5240 59.4119 32.1180 179.2859 133 V 3.8596 7.6165 118.1511 66.5553 31.4566 178.6002 134 V 3.9615 8.3142 111.8041 64.1370 31.2667 178.6137 135 A 4.1172 8.2967 121.0121 55.1355 18.3118 179.9008 136 G 3.3770 8.6205 104.7817 47.8333 0.0000 176.1226 137 V 2.9157 8.1513 120.7705 65.3872 31.4226 178.0599 138 A 3.8119 7.9385 120.5613 55.0808 17.9974 179.3996 139 N 4.2374 8.2155 114.1517 56.4228 38.8072 177.1112 140 A 4.0851 7.8243 122.1197 55.1533 18.3309 179.3764 141 L 3.9287 7.9824 118.1776 57.3169 41.9507 178.2493 142 A 4.3157 7.8213 119.4905 53.8456 18.6834 178.6399 143 H 4.2672 7.9161 116.5932 58.4222 29.8833 175.7348 144 K 4.5717 8.0321 118.5346 56.2875 32.2913 175.8431 145 Y 4.2130 7.8713 117.4640 57.9940 38.5042 175.6398 146 H 4.4975 8.3284 118.4552 55.9340 28.6895 173.0646 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 2 F 8.32 4.78 0.00 3.18 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 3 L 7.36 4.25 0.00 1.33 1.37 -0.01 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.48 4.03 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 1.14 0.00 0.00 5 A 8.33 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 6 E 8.07 3.78 0.00 2.00 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 2.33 2.37 0.00 7 E 7.85 3.83 0.00 2.05 1.77 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 2.19 2.24 0.00 8 K 8.42 3.87 0.00 1.90 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.50 7.81 9 G 8.07 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.98 0.00 1.80 1.69 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.40 3.33 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 0.54 0.00 0.00 -0.10 0.00 0.00 12 N 8.49 4.59 0.00 2.85 2.90 0.00 0.00 6.88 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 13 G 8.02 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 0.00 0.00 0.00 14 L 8.26 3.95 0.00 1.68 1.91 0.67 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.75 4.38 0.00 3.85 3.17 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 0.00 0.00 0.00 0.00 16 G 8.30 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 17 K 7.88 4.64 0.00 2.24 2.14 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.46 7.81 18 V 7.31 3.68 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 0.63 0.00 0.00 -0.01 0.00 0.00 19 N 8.44 4.49 0.00 2.65 2.62 0.00 0.00 6.95 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 20 V 8.06 3.81 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 0.83 0.00 0.00 0.96 0.00 0.00 21 D 7.85 4.49 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 22 E 7.66 4.41 0.00 2.02 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 2.25 2.20 0.00 23 V 7.79 3.62 1.95 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 0.88 0.00 0.00 0.84 0.00 0.00 24 G 8.05 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 0.00 0.00 0.00 25 G 8.00 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 0.00 0.00 0.00 26 E 8.14 3.88 0.00 2.07 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 2.15 2.26 0.00 27 A 8.10 3.87 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 28 L 8.11 3.99 0.00 1.78 1.78 0.59 1.11 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 29 G 8.23 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 0.00 0.00 0.00 30 R 8.22 3.92 0.00 1.98 1.92 0.00 3.05 0.00 0.00 3.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 31 L 8.21 4.07 0.00 1.84 1.83 0.98 0.52 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 32 L 7.66 4.12 0.00 1.66 1.67 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.22 3.54 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 0.73 0.00 0.00 0.94 0.00 0.00 34 V 7.80 3.55 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 0.03 0.00 0.00 0.76 0.00 0.00 35 Y 7.42 4.58 0.00 2.52 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 0.00 0.00 0.00 0.00 36 P 0.00 4.92 0.00 2.34 2.33 0.00 4.02 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 2.22 1.94 0.00 37 W 8.26 4.45 0.00 3.64 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 38 T 7.59 4.18 4.36 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 0.87 0.00 0.00 39 Q 8.00 4.19 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 40 R 7.45 3.47 0.00 1.75 2.23 0.00 3.11 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.25 0.00 41 F 8.02 4.40 0.00 2.65 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 0.00 0.00 0.00 0.00 42 F 9.00 4.63 0.00 2.64 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 0.00 0.00 0.00 0.00 43 E 8.40 4.04 0.00 1.96 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 2.29 2.34 0.00 44 S 8.15 4.47 0.00 4.12 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 0.00 45 F 8.46 4.75 0.00 3.29 3.16 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 46 G 7.36 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 47 D 8.87 4.64 0.00 2.65 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 48 L 8.24 4.96 0.00 1.66 1.63 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.93 4.41 0.00 4.13 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 0.00 50 S 7.60 4.69 0.00 4.00 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 51 A 8.43 3.95 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 52 D 8.07 4.33 0.00 2.72 2.72 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 53 A 7.57 4.04 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 54 I 7.60 3.90 1.99 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 1.00 0.95 0.00 0.00 55 M 7.82 4.07 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.80 0.00 56 S 7.56 4.42 0.00 3.92 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 57 N 7.74 4.34 0.00 2.97 2.89 0.00 0.00 6.99 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 58 A 8.58 4.07 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 59 K 7.95 3.60 0.00 1.75 0.76 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.33 7.81 60 V 7.98 3.72 2.23 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 1.01 0.00 0.00 1.11 0.00 0.00 61 K 8.44 3.90 0.00 1.98 1.83 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 62 A 8.34 4.06 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 63 H 8.46 4.46 0.00 3.59 3.70 0.00 5.79 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 64 G 8.26 3.63 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 0.00 0.00 0.00 65 K 7.67 3.92 0.00 2.09 2.07 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 K 7.79 4.11 0.00 2.05 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.77 7.81 67 V 7.97 3.67 2.30 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 1.25 0.00 0.00 0.99 0.00 0.00 68 L 8.69 4.28 0.00 2.02 1.91 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.83 4.46 0.00 3.01 2.95 0.00 0.00 6.82 7.47 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 70 S 8.22 4.22 0.00 4.12 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 0.00 71 F 8.32 4.07 0.00 3.50 3.08 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 0.00 0.00 0.00 0.00 72 S 8.61 4.17 0.00 4.25 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 73 D 8.42 4.49 0.00 2.65 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 74 G 7.98 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 75 L 8.01 4.03 0.00 1.64 1.60 -0.32 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.88 4.23 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.60 7.81 77 N 7.62 4.97 0.00 2.73 2.71 0.00 0.00 6.79 6.66 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 78 I 7.08 3.86 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 1.11 0.00 0.00 79 D 8.00 4.81 0.00 2.68 2.73 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 0.00 80 D 8.35 4.69 0.00 2.62 2.44 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 81 L 7.84 4.15 0.00 1.54 1.67 0.18 0.78 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 82 K 8.07 4.00 0.00 1.64 1.83 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.36 7.81 83 G 8.04 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 84 A 7.52 3.81 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 85 F 7.85 4.56 0.00 3.14 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 86 A 7.49 4.06 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 87 K 7.97 4.03 0.00 1.80 1.86 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.50 7.81 88 L 7.92 4.11 0.00 1.98 1.84 1.03 0.89 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 89 S 8.42 4.64 0.00 4.12 4.07 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 90 E 8.03 3.86 0.00 2.19 1.95 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 2.31 2.48 0.00 91 L 8.02 3.97 0.00 1.84 1.77 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.70 4.21 0.00 3.49 3.72 0.00 5.86 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 93 C 8.10 3.54 0.00 1.23 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 0.00 0.00 0.00 0.00 94 D 8.59 4.42 0.00 2.70 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 95 K 7.81 4.30 0.00 1.80 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.33 7.81 96 L 7.77 4.20 0.00 1.79 1.70 0.70 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.23 4.22 0.00 3.48 3.41 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.71 4.06 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 0.59 0.00 0.00 0.49 0.00 0.00 99 D 8.55 4.30 0.00 2.75 2.47 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 0.00 100 P 0.00 2.00 0.00 1.66 1.33 0.00 3.23 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.00 101 E 7.59 3.89 0.00 1.96 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 2.25 2.26 0.00 102 N 7.92 4.53 0.00 2.78 2.85 0.00 0.00 6.85 7.74 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 0.00 103 F 7.60 4.61 0.00 3.04 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 0.00 104 R 8.11 3.98 0.00 1.85 2.02 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 105 L 7.45 3.92 0.00 1.66 1.25 0.62 0.13 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 0.00 106 L 7.98 4.13 0.00 1.84 1.77 0.98 1.17 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 0.00 107 G 8.14 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 0.00 108 N 8.77 4.49 0.00 2.90 2.97 0.00 0.00 6.66 7.40 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 0.00 109 V 8.03 3.67 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 1.07 0.00 0.00 1.17 0.00 0.00 110 L 8.25 3.85 0.00 1.73 1.83 0.83 0.32 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 0.00 111 V 7.67 3.51 2.31 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 1.20 0.00 0.00 1.11 0.00 0.00 112 C 7.87 4.17 0.00 3.17 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 0.00 113 V 7.24 3.44 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 0.73 0.00 0.00 0.81 0.00 0.00 114 L 7.50 3.88 0.00 0.98 1.09 0.48 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.23 3.54 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 0.00 116 H 7.62 3.98 0.00 3.15 3.48 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.42 4.22 0.00 2.91 2.78 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.03 4.74 0.00 3.21 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 0.00 119 G 9.26 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 0.00 120 H 9.18 4.24 0.00 3.14 3.42 0.00 5.93 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.86 4.50 0.00 3.10 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 0.00 122 F 8.17 4.50 0.00 3.00 3.17 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 0.00 0.00 0.00 0.00 123 N 7.52 4.53 0.00 2.95 2.85 0.00 0.00 6.10 7.76 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 0.00 124 P 0.00 4.14 0.00 2.13 2.12 0.00 3.53 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 2.09 2.16 0.00 125 Q 7.97 3.95 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 126 V 7.93 3.52 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 0.88 0.00 0.00 0.96 0.00 0.00 127 Q 7.70 3.58 0.00 1.38 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 128 A 8.06 3.96 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 0.00 129 A 7.64 3.83 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 0.00 130 F 8.18 4.08 0.00 3.39 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 0.00 131 Q 8.56 4.13 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 132 K 7.76 4.00 0.00 1.89 1.71 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.41 7.81 133 V 7.62 3.86 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 1.13 0.00 0.00 0.82 0.00 0.00 134 V 8.31 3.96 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 1.00 0.00 0.00 1.16 0.00 0.00 135 A 8.30 4.12 1.47 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 0.00 0.00 136 G 8.62 3.38 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 0.00 137 V 8.15 2.92 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 -0.15 0.00 0.00 0.64 0.00 0.00 138 A 7.94 3.81 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.22 4.24 0.00 2.57 2.84 0.00 0.00 7.03 7.02 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 0.00 140 A 7.82 4.09 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 0.00 141 L 7.98 3.93 0.00 1.44 1.08 -0.46 0.89 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 0.00 142 A 7.82 4.32 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 0.00 143 H 7.92 4.27 0.00 3.27 3.49 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.03 4.57 0.00 1.84 1.82 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.57 7.81 145 Y 7.87 4.21 0.00 3.02 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 0.00 146 H 8.33 4.50 0.00 3.18 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00