NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3812 8.3193 115.2846 58.5791 63.6893 172.3267 0 S 4.3322 8.2791 118.7435 56.3408 65.9854 173.4638 1 Y 3.9977 9.4567 123.4772 61.2766 39.3670 179.2084 2 T 3.9307 7.6587 114.1350 65.9081 68.5669 175.3496 3 S 4.5291 7.6319 113.9334 58.2461 64.1581 174.7212 4 I 3.8147 7.3703 114.5408 60.6632 38.0201 175.6363 5 T 3.8537 8.4299 118.2913 64.5845 69.4427 172.4462 6 K 4.9116 8.4541 126.8428 54.4763 33.8689 175.4789 7 L 4.5883 8.9636 129.4169 55.0319 41.7205 177.2203 8 T 4.5620 8.9437 112.7479 60.9918 70.3564 173.7618 9 N 5.0043 7.5813 119.0903 50.7076 41.4179 175.1007 10 L 4.1717 8.4695 121.3239 58.2568 41.7977 179.7458 11 T 3.9043 8.0281 115.2544 66.6593 68.3791 175.9655 12 E 3.8987 8.9617 121.4165 59.2314 29.8313 178.2222 13 F 4.1956 8.3212 120.6085 61.7985 39.2908 177.3403 14 R 3.4960 8.5045 117.6629 59.2396 29.8552 178.9328 15 N 4.3437 8.1337 116.2653 56.0151 38.2703 177.3618 16 L 4.1522 8.1507 121.9248 57.7486 42.1110 179.0633 17 I 3.5031 7.3840 119.6159 64.4034 36.8548 178.5292 18 K 4.1169 7.4431 117.6334 59.4370 31.9046 178.9900 19 Q 4.1661 7.9664 116.8956 56.4028 29.3462 175.4978 20 N 5.0048 7.1627 117.8431 51.4590 40.9723 175.7408 21 D 4.5557 8.8052 122.8490 56.7446 42.6344 176.5335 22 K 5.0200 7.7903 117.3720 54.7792 36.7336 175.2212 23 L 5.0089 8.8419 126.0036 53.4572 46.2921 174.6355 24 V 4.7305 8.6962 125.3857 61.1535 34.4963 173.9191 25 I 4.7578 8.8646 129.3585 59.7362 39.4285 174.3311 26 D 4.8259 9.0628 128.4052 52.9172 42.1968 175.1586 27 F 4.9813 8.9966 127.2277 57.0399 40.0797 174.8008 28 Y 5.1319 8.8826 121.3185 55.2021 42.4993 173.7803 29 A 4.6580 8.0450 119.9858 49.9128 21.7356 177.5314 30 T 3.9137 8.6718 112.1263 64.2473 69.0122 175.4091 31 W 4.3881 7.2071 116.6473 57.2740 29.0399 175.8153 32 C 4.4485 7.1534 120.9127 58.1185 31.8918 173.9446 33 G 3.5860 8.6824 115.2912 47.5826 0.0000 173.5374 34 P 4.2630 0.0000 0.0000 65.2245 31.0493 178.6013 35 C 4.1037 7.8246 114.5613 62.7330 28.6016 175.6171 36 K 3.8852 7.8368 120.0329 59.6474 31.3998 178.9281 37 M 4.0140 8.0306 117.5471 59.0189 32.3629 177.7959 38 M 4.3030 7.8565 117.1789 57.0694 32.1774 178.5194 39 Q 3.5692 7.5309 119.0751 58.3864 28.9621 177.1177 40 P 4.2659 0.0000 0.0000 65.9665 31.3443 178.1162 41 H 4.1158 8.0911 115.7507 58.5512 28.6269 177.2231 42 L 3.8951 8.1791 122.3194 58.4698 42.0958 178.9623 43 T 3.7521 7.8608 115.6431 66.7634 68.4139 176.6478 44 K 3.9612 7.8481 119.6605 59.4275 32.0680 179.5022 45 L 4.2034 7.9368 119.3099 57.6847 41.3140 179.3761 46 I 2.7293 7.5555 119.2616 64.3846 37.0646 178.1880 47 Q 4.0780 7.6505 116.8344 58.6314 28.6424 178.1327 48 A 4.0248 7.9716 120.9932 53.4288 20.0269 177.2487 49 Y 4.8927 8.1113 114.4699 54.8041 37.8914 174.6619 50 P 4.5088 0.0000 0.0000 64.6412 32.3089 178.0572 51 D 4.5352 8.2236 118.2387 54.4835 39.9719 175.2702 52 V 4.3278 7.6961 120.9242 61.0933 33.4486 174.8274 53 R 4.4063 8.7795 128.9989 55.8931 31.1751 174.7143 54 F 5.3088 9.1256 125.1291 56.0306 41.0536 175.3083 55 V 4.8834 9.1037 116.1490 59.4570 36.4370 174.2763 56 K 5.1746 8.9970 119.9057 55.7808 36.6472 175.1013 57 C 4.7597 9.1038 121.3696 58.0593 35.2221 172.3021 58 D 3.8042 8.5411 126.6581 53.4191 40.6273 176.9749 59 V 3.6063 8.4895 121.5826 64.5570 32.1197 178.9511 60 D 4.4382 8.3114 119.5922 57.1891 41.0831 177.5382 61 E 4.1352 8.2833 117.8180 58.7080 30.4247 177.4826 62 S 4.7425 8.2652 114.0994 55.9600 63.2675 173.0740 63 P 4.5914 0.0000 0.0000 64.4309 31.7741 178.2751 64 D 4.3334 7.9628 119.4208 56.4365 39.5883 178.4518 65 I 3.3574 7.5869 120.5734 63.8556 37.2198 177.9604 66 A 3.4230 7.7510 121.2155 54.8451 18.0931 179.6118 67 K 3.7881 7.9364 118.1231 59.5408 32.0414 178.5032 68 E 3.8911 7.7591 118.5882 59.0969 29.5045 177.6597 69 C 4.4081 7.4104 113.3415 58.0977 29.1885 173.4026 70 E 3.6607 7.8915 119.6284 57.1474 27.2016 175.8095 71 V 3.6741 7.8724 118.0401 62.6675 32.4236 174.1589 72 T 4.2770 8.4784 115.6371 63.0122 70.4022 174.4221 73 A 4.4704 7.6546 124.7941 50.5197 20.0002 176.0939 74 M 4.6270 8.2297 120.3416 52.6656 34.6079 174.3939 75 P 4.6535 0.0000 0.0000 62.9170 33.4969 174.9416 76 T 4.8575 8.3027 117.6646 61.8645 71.7286 172.8996 77 F 5.2398 9.2556 126.0667 56.0519 41.0482 174.8659 78 V 4.8512 8.9851 124.7638 61.2664 33.6320 174.2923 79 L 5.1093 9.2921 128.4367 53.2637 44.0086 175.8118 80 G 4.4530 8.9859 109.8627 44.4906 0.0000 171.9446 81 K 4.8682 9.1748 123.6859 55.2038 35.7783 175.8202 82 D 4.4804 9.7387 129.5418 55.7311 38.4744 174.7137 83 G 4.3263 9.6137 103.2397 45.4502 0.0000 173.0981 84 Q 4.4944 7.4331 119.2553 54.2148 32.3341 173.7327 85 L 4.6600 8.4252 125.2864 54.6575 42.4221 176.5866 86 I 4.4063 8.4502 115.8996 61.0601 40.0700 175.2274 87 G 4.0727 7.2755 108.1780 45.9785 0.0000 172.0790 88 K 5.3791 8.7950 118.4409 54.4691 35.8062 176.1117 89 I 4.6150 9.0844 123.7867 59.7074 40.2149 174.4111 90 I 4.6210 8.8060 127.9509 60.7042 38.9065 176.4393 91 G 3.9390 9.3566 112.8102 45.0454 0.0000 174.0403 92 A 4.4647 8.0715 122.2022 51.4500 16.7530 178.2761 93 N 4.8884 7.5538 120.8935 49.6117 39.5491 172.6027 94 P 4.1496 0.0000 0.0000 65.1027 31.5545 178.0839 95 T 3.8254 7.8549 113.9665 66.6617 68.5497 176.5836 96 A 3.9689 8.2782 122.6700 54.8469 18.2859 179.5256 97 L 3.7478 7.9788 118.9490 58.2804 42.1595 178.7407 98 E 3.7614 8.2627 119.5019 58.9935 29.3006 178.5246 99 K 3.9324 8.0134 118.8316 59.5955 32.5570 178.5529 100 G 3.7376 8.1419 105.8608 47.8778 0.0000 175.5559 101 I 3.5196 7.7419 122.2600 64.0945 36.8576 178.7245 102 K 4.0181 7.8121 117.9736 59.1332 31.9123 178.3975 103 D 4.5751 7.5364 116.8681 55.3224 41.0599 176.3988 104 L 4.1324 7.4408 124.1622 54.9728 41.5727 176.7368 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 8.32 4.38 0.00 3.83 3.80 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 0.00 0.00 0.00 0 S 8.28 4.33 0.00 4.00 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 1 Y 9.46 4.00 0.00 3.03 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 2 T 7.66 3.93 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 3 S 7.63 4.53 0.00 3.95 3.94 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 4 I 7.37 3.81 2.08 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 1.36 0.43 0.99 0.00 0.00 5 T 8.43 3.85 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 1.22 0.00 0.00 6 K 8.45 4.91 0.00 1.74 1.69 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.63 7.81 7 L 8.96 4.59 0.00 1.52 1.67 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.94 4.56 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 9 N 7.58 5.00 0.00 2.99 2.92 0.00 0.00 6.25 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.47 4.17 0.00 1.77 1.87 0.96 0.65 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 11 T 8.03 3.90 4.43 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 1.23 0.00 0.00 12 E 8.96 3.90 0.00 2.12 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 0.00 2.35 2.34 0.00 13 F 8.32 4.20 0.00 3.21 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 14 R 8.50 3.50 0.00 1.92 1.90 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.09 0.00 15 N 8.13 4.34 0.00 2.86 2.84 0.00 0.00 6.67 6.79 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 16 L 8.15 4.15 0.00 1.82 1.66 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.38 3.50 1.77 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.40 0.79 0.00 0.00 18 K 7.44 4.12 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.60 7.81 19 Q 7.97 4.17 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 20 N 7.16 5.00 0.00 2.71 2.65 0.00 0.00 6.85 7.96 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 21 D 8.81 4.56 0.00 2.59 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 22 K 7.79 5.02 0.00 1.61 1.57 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 23 L 8.84 5.01 0.00 1.66 1.37 0.90 0.39 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 24 V 8.70 4.73 1.29 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 1.12 0.00 0.00 0.39 0.00 0.00 25 I 8.86 4.76 1.90 0.00 0.00 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 1.12 0.62 0.18 0.00 0.00 26 D 9.06 4.83 0.00 3.09 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 27 F 9.00 4.98 0.00 3.16 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 28 Y 8.88 5.13 0.00 2.96 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 29 A 8.05 4.66 0.28 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 30 T 8.67 3.91 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 1.46 0.00 0.00 31 W 7.21 4.39 0.00 3.61 3.31 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 32 C 7.15 4.45 0.00 1.50 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 33 G 8.68 3.59 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 0.00 0.00 0.00 34 P 0.00 4.26 0.00 2.16 2.13 0.00 3.59 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 2.13 2.20 0.00 35 C 7.82 4.10 0.00 3.02 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 36 K 7.84 3.89 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.55 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.61 7.81 37 M 8.03 4.01 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 38 M 7.86 4.30 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.94 0.00 39 Q 7.53 3.57 0.00 1.90 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 40 P 0.00 4.27 0.00 2.15 2.24 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 41 H 8.09 4.12 0.00 3.40 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.18 3.90 0.00 1.98 1.87 1.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.86 3.75 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 1.17 0.00 0.00 44 K 7.85 3.96 0.00 1.94 1.83 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 45 L 7.94 4.20 0.00 1.72 1.88 0.93 0.92 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 46 I 7.56 2.73 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.36 0.80 0.00 0.00 47 Q 7.65 4.08 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 48 A 7.97 4.02 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 49 Y 8.11 4.89 0.00 3.50 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 50 P 0.00 4.51 0.00 2.20 2.19 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 51 D 8.22 4.54 0.00 2.90 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 52 V 7.70 4.33 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 0.16 0.00 0.00 0.97 0.00 0.00 53 R 8.78 4.41 0.00 2.05 1.76 0.00 3.23 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 54 F 9.13 5.31 0.00 2.85 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 55 V 9.10 4.88 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 0.80 0.00 0.00 0.92 0.00 0.00 56 K 9.00 5.17 0.00 1.96 1.80 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.39 7.81 57 C 9.10 4.76 0.00 2.56 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 0.00 0.00 0.00 58 D 8.54 3.80 0.00 2.41 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 59 V 8.49 3.61 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 0.87 0.00 0.00 0.94 0.00 0.00 60 D 8.31 4.44 0.00 2.86 2.80 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 0.00 0.00 0.00 61 E 8.28 4.14 0.00 2.07 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 2.35 2.28 0.00 62 S 8.27 4.74 0.00 3.87 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 63 P 0.00 4.59 0.00 2.23 2.36 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 64 D 7.96 4.33 0.00 2.86 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 65 I 7.59 3.36 1.82 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 1.41 0.97 0.30 0.00 0.00 66 A 7.75 3.42 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 67 K 7.94 3.79 0.00 1.91 1.88 0.00 1.47 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.44 7.81 68 E 7.76 3.89 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 2.59 2.51 0.00 69 C 7.41 4.41 0.00 2.37 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.89 3.66 0.00 1.97 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 2.21 2.33 0.00 71 V 7.87 3.67 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.04 0.00 0.00 72 T 8.48 4.28 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 1.17 0.00 0.00 73 A 7.65 4.47 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 74 M 8.23 4.63 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 75 P 0.00 4.65 0.00 1.40 2.05 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 76 T 8.30 4.86 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 77 F 9.26 5.24 0.00 3.09 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 78 V 8.99 4.85 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 1.25 0.00 0.00 1.20 0.00 0.00 79 L 9.29 5.11 0.00 1.58 1.51 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.99 4.45 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 0.00 81 K 9.17 4.87 0.00 1.77 1.59 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.45 7.81 82 D 9.74 4.48 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 83 G 9.61 4.33 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 0.00 84 Q 7.43 4.49 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 85 L 8.43 4.66 0.00 1.71 1.63 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.45 4.41 1.87 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 1.20 0.73 0.90 0.00 0.00 87 G 7.28 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 0.00 0.00 0.00 88 K 8.80 5.38 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 89 I 9.08 4.61 2.06 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 1.26 0.74 1.00 0.00 0.00 90 I 8.81 4.62 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 1.29 0.61 0.92 0.00 0.00 91 G 9.36 3.94 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 0.00 92 A 8.07 4.46 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 93 N 7.55 4.89 0.00 2.72 2.71 0.00 0.00 7.05 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 94 P 0.00 4.15 0.00 2.10 1.89 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 95 T 7.85 3.83 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 1.21 0.00 0.00 96 A 8.28 3.97 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 97 L 7.98 3.75 0.00 1.56 1.63 0.62 -0.21 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 98 E 8.26 3.76 0.00 2.12 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 0.00 2.35 2.32 0.00 99 K 8.01 3.93 0.00 1.85 1.94 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 100 G 8.14 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 0.00 101 I 7.74 3.52 1.56 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 1.24 1.04 0.24 0.00 0.00 102 K 7.81 4.02 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.66 1.64 7.81 103 D 7.54 4.58 0.00 2.76 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 0.00 104 L 7.44 4.13 0.00 1.71 1.54 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00