NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8627 8.3544 109.7371 44.9416 0.0000 172.6620 2 S 4.0690 7.7828 114.3508 58.1773 63.4131 170.9311 3 S 4.3446 9.5696 115.0915 59.5841 64.7688 171.9038 4 G 3.6915 7.7984 110.0320 44.4195 0.0000 172.7130 5 S 4.1268 8.4348 121.9372 61.0324 63.6138 174.6812 6 S 4.1200 7.8333 117.7854 60.5692 61.7574 173.0674 7 G 4.0908 8.8972 116.9173 44.5094 0.0000 172.8135 8 T 4.0600 8.3790 112.9619 61.3806 69.5119 172.7140 9 A 4.8574 7.8945 123.2471 50.5880 22.0742 175.3651 10 Q 4.5594 8.3818 114.9725 54.7336 31.2593 173.7556 11 L 4.6916 8.7754 124.9713 55.7217 42.6644 175.7486 12 T 4.8426 8.4623 118.8346 60.6730 72.0313 171.9420 13 I 5.4956 8.1557 122.8052 58.6330 41.0476 174.4841 14 E 4.7280 8.7109 127.4943 54.0006 31.9675 174.7904 15 A 4.4371 8.7153 129.1396 52.0945 19.7872 177.1089 16 V 4.2128 8.3857 121.4269 60.7196 34.5430 173.4290 17 P 4.6011 0.0000 0.0000 62.4569 32.6912 175.6084 18 S 4.5409 8.5240 111.4080 60.3176 63.6805 173.5710 19 N 5.7363 8.3286 116.2211 52.8003 38.8137 173.8054 20 A 4.7507 8.7683 126.4497 50.3863 22.6353 174.4787 21 A 5.5704 7.9717 118.4080 48.9550 22.4208 176.1062 22 E 4.0122 8.7143 118.3684 58.5480 29.7811 178.2063 23 G 3.9241 8.9559 112.7274 44.9085 0.0000 173.3394 24 K 4.4500 8.2952 119.6640 55.5601 34.6088 175.2000 25 E 5.0949 8.4999 119.0198 54.8665 32.9333 176.1921 26 V 3.9447 8.5458 122.5797 60.8838 34.7747 173.8713 27 L 4.4150 8.6545 131.1377 53.4316 43.1120 175.6194 28 L 4.4191 8.1009 128.6058 53.7621 42.1238 177.0365 29 L 4.2813 8.4510 124.7917 53.6994 43.3420 176.1248 30 V 4.8449 7.8891 118.4498 61.9713 35.0779 173.4200 31 H 4.9376 8.5703 120.7170 54.1079 33.9285 172.8922 32 N 4.0192 8.9999 112.9411 54.0491 36.0334 175.0283 33 L 4.1178 8.0081 116.6726 54.1760 42.1722 175.1844 34 P 4.6146 0.0000 0.0000 62.2361 32.3600 176.7941 35 Q 4.0894 8.6399 115.8368 58.9360 28.6383 176.9687 36 D 4.6019 7.6556 123.8728 50.6235 41.9268 171.8588 37 P 4.7420 0.0000 0.0000 61.9944 30.4571 176.1586 38 R 3.8449 8.7440 128.2453 59.3822 31.2055 176.2022 39 G 3.9054 7.2683 103.0085 45.8199 0.0000 172.1694 40 Y 5.2374 7.6534 120.6733 56.9593 40.0806 175.0178 41 N 5.2670 8.9602 119.5566 52.0738 42.7521 173.7594 42 W 4.8789 9.0640 124.5091 55.8257 31.5268 175.2885 43 Y 5.2268 9.6272 119.2719 56.5292 42.6898 174.4014 44 K 4.1407 9.2758 123.3964 58.8892 32.2929 174.1452 45 G 3.8869 8.1343 117.7909 44.6163 0.0000 173.6894 46 E 4.7062 8.9369 120.4836 55.0392 30.4979 175.7267 47 T 4.5461 7.5993 106.8720 60.2038 72.2351 174.0822 48 V 2.8411 7.8746 124.1717 61.9451 31.0590 175.2516 49 D 4.8890 7.1923 120.1679 52.2838 43.4576 178.1844 50 A 4.1833 8.6731 125.6157 55.5151 18.5739 179.4626 51 N 4.4389 8.2853 111.5832 55.5766 38.7713 175.5510 52 R 4.6293 8.1695 115.2613 55.0775 32.2934 175.1093 53 R 4.1708 8.3310 120.6323 57.5260 30.7540 176.7479 54 I 4.1101 8.6963 127.5090 62.9960 38.5758 175.5025 55 I 4.3398 7.2205 118.8499 59.9489 41.3456 172.6397 56 G 4.5736 8.6103 115.0455 43.4103 0.0000 170.7762 57 Y 5.3895 9.4344 124.5770 55.5096 42.5286 174.1453 58 V 3.7159 8.1465 126.3813 60.9430 33.0233 176.3550 59 I 3.3405 7.5128 129.1354 63.7357 37.2451 177.5459 60 S 4.1066 7.8238 114.0180 61.1121 61.9208 174.6323 61 N 4.7122 7.8420 112.9914 51.6158 37.9922 174.0836 62 Q 3.3809 7.6291 117.0271 57.5438 27.0873 172.9524 63 Q 4.8158 7.8374 117.6771 54.4656 32.4611 174.5742 64 I 5.0924 8.3031 123.8431 59.9702 40.5591 175.4256 65 T 4.5574 9.2504 123.4033 60.7182 71.1722 171.1384 66 P 4.1381 0.0000 0.0000 62.5270 32.1666 177.2953 67 G 4.0299 8.1099 112.8777 43.9725 0.0000 171.2381 68 P 4.3813 0.0000 0.0000 65.5461 31.5120 176.8949 69 A 4.6962 7.8958 120.7062 52.4243 18.7055 175.8637 70 Y 4.8936 7.9048 120.6809 57.9016 38.7053 175.9420 71 S 4.5365 7.6696 118.6812 57.3161 63.9168 174.0241 72 N 3.6502 5.8986 114.9844 54.0318 35.5154 174.7327 73 R 4.4994 6.9684 115.6523 56.0107 32.6512 175.7516 74 E 5.3663 7.9513 117.3111 54.7070 32.1918 175.7187 75 T 4.6622 7.8994 117.0971 62.3715 72.9064 174.0560 76 I 4.6103 8.4235 127.0941 61.4601 38.6595 174.3625 77 Y 4.7431 8.8073 120.1379 55.3733 42.2113 175.0086 78 P 4.7506 0.0000 0.0000 64.2551 31.4217 176.2048 79 N 4.7605 7.9336 115.7273 53.2722 39.2757 173.7179 80 A 2.5800 6.9927 116.9390 52.5637 16.4826 178.3823 81 S 5.3292 7.6918 113.6751 57.6778 66.3328 172.9794 82 L 4.6377 7.6561 122.7138 53.1132 45.1937 174.5920 83 L 4.5634 8.9984 129.1223 53.9580 43.8478 174.6803 84 M 4.3057 8.8216 127.8281 54.2932 33.2412 175.2695 85 R 4.5002 8.2101 125.6335 54.4463 32.2534 176.1654 86 N 4.0770 8.4537 115.8935 54.1441 36.3126 174.1485 87 V 4.1135 8.0024 111.9150 61.4782 32.9888 175.7940 88 T 4.9957 8.1563 109.1107 59.9843 71.2105 174.8949 89 R 3.9420 8.8695 119.1249 59.3406 29.5290 178.5408 90 N 4.1806 8.1956 116.2949 56.4919 39.2711 175.2284 91 D 4.6021 8.0818 118.1987 57.6334 41.1694 177.5114 92 T 3.7397 7.0251 114.2069 62.7911 70.4954 172.7385 93 G 4.4715 7.2672 116.5217 46.2093 0.0000 174.5050 94 S 4.7193 8.1358 115.7159 57.3368 68.5601 173.5737 95 Y 5.3003 8.6127 120.1011 55.3517 40.6662 174.1913 96 T 4.5791 8.6621 121.4311 63.1531 70.5510 173.7661 97 L 4.4590 8.7421 127.1611 53.2824 44.8724 174.6391 98 Q 4.8947 9.0719 128.5154 53.7780 31.5905 174.3372 99 V 4.7414 8.1987 124.9091 61.2384 34.3440 174.1547 100 I 4.7502 8.5138 129.4045 60.6220 38.8174 175.3239 101 K 5.3655 8.8124 125.0467 53.5660 34.7727 177.5441 102 L 3.9930 8.6975 122.0683 57.4723 41.6488 177.5976 103 N 4.6185 8.1282 116.7103 53.2104 38.5666 174.8410 104 L 3.8937 7.8509 113.7309 55.6178 39.9136 173.7040 105 M 4.9640 7.2020 118.0881 53.9118 35.6965 174.5474 106 S 5.6093 8.1925 112.0625 58.4095 65.9369 173.3152 107 E 4.8742 8.6155 120.1778 54.8023 33.3482 174.2144 108 E 4.8210 8.3918 118.4126 55.2489 33.8303 176.2408 109 V 4.1472 8.0157 121.7549 61.2833 34.6800 173.2480 110 T 4.5045 8.7978 124.0634 62.8489 68.5100 174.8152 111 G 4.3081 9.1937 115.4548 44.5643 0.0000 170.1551 112 Q 5.3464 8.7033 124.7331 54.3605 32.8651 172.9074 113 F 5.0979 8.2872 112.1402 56.1481 42.0037 172.9185 114 S 4.8542 8.6838 112.1318 56.8139 66.2526 173.6685 115 V 5.0479 8.2212 124.0235 61.3182 33.4655 174.2548 116 H 5.0609 8.6949 123.7285 52.9945 31.3357 172.3220 117 P 4.6136 0.0000 0.0000 62.5428 29.4913 175.9422 118 E 4.3887 8.0183 134.0425 55.6104 28.4613 175.6332 119 T 4.7243 7.1840 109.6257 58.6686 72.4407 172.9471 120 P 4.4879 0.0000 0.0000 62.8132 32.1258 176.3324 121 K 4.4352 8.0345 120.6498 53.6487 31.6820 173.4087 122 P 4.4898 0.0000 0.0000 61.7113 29.5455 174.7576 123 S 4.6498 7.9967 119.1955 56.8207 64.5914 173.6981 124 I 3.8545 8.5079 128.3397 64.1594 38.2529 176.9325 125 S 4.1718 8.0834 113.5627 62.4813 63.4680 172.7333 126 G 3.8937 8.6087 107.6648 44.3764 0.0000 173.0512 127 P 4.2830 0.0000 0.0000 62.4911 32.4087 176.3729 128 S 4.7322 8.2229 116.6325 56.0005 65.9293 173.7222 129 S 4.2066 8.8415 116.1696 59.0704 62.3873 173.8917 130 G 3.7707 7.8466 111.8601 46.4708 0.0000 172.1151 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 G 8.35 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 2 S 7.78 4.07 0.00 3.92 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 3 S 9.57 4.34 0.00 3.81 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 4 G 7.80 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.43 4.13 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.12 0.00 3.85 3.85 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 7 G 8.90 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 8 T 8.38 4.06 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 9 A 7.89 4.86 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 10 Q 8.38 4.56 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 11 L 8.78 4.69 0.00 1.68 1.65 0.95 0.95 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 12 T 8.46 4.84 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 1.30 0.00 0.00 13 I 8.16 5.50 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.80 1.20 0.00 0.00 14 E 8.71 4.73 0.00 2.10 1.85 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 2.28 2.31 0.00 15 A 8.72 4.44 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 16 V 8.39 4.21 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 0.75 0.00 0.00 0.95 0.00 0.00 17 P 0.00 4.60 0.00 2.20 2.05 0.00 3.77 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 18 S 8.52 4.54 0.00 3.95 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 19 N 8.33 5.74 0.00 2.86 2.86 0.00 0.00 6.30 7.30 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 20 A 8.77 4.75 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 21 A 7.97 5.57 1.17 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 0.00 0.00 22 E 8.71 4.01 0.00 1.96 1.96 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 2.37 2.36 0.00 23 G 8.96 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 24 K 8.30 4.45 0.00 1.72 1.73 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.59 7.81 25 E 8.50 5.09 0.00 1.68 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 2.13 2.26 0.00 26 V 8.55 3.94 0.69 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 -0.08 0.00 0.00 0.43 0.00 0.00 27 L 8.65 4.41 0.00 1.49 1.48 0.25 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.10 4.42 0.00 1.40 1.71 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.45 4.28 0.00 1.73 1.52 0.89 0.39 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 30 V 7.89 4.84 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 0.76 0.00 0.00 1.04 0.00 0.00 31 H 8.57 4.94 0.00 3.09 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 9.00 4.02 0.00 2.97 2.92 0.00 0.00 7.21 7.84 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 33 L 8.01 4.12 0.00 1.67 1.69 0.96 1.12 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 34 P 0.00 4.61 0.00 2.21 2.24 0.00 3.85 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 2.08 2.13 0.00 35 Q 8.64 4.09 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.12 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 36 D 7.66 4.60 0.00 2.74 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 37 P 0.00 4.74 0.00 2.04 2.31 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 38 R 8.74 3.84 0.00 1.80 1.94 0.00 3.11 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 39 G 7.27 3.91 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 0.00 0.00 0.00 40 Y 7.65 5.24 0.00 3.19 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 41 N 8.96 5.27 0.00 2.70 2.60 0.00 0.00 7.08 7.01 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 42 W 9.06 4.88 0.00 3.28 3.22 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 0.00 43 Y 9.63 5.23 0.00 2.92 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 44 K 9.28 4.14 0.00 1.79 1.74 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.20 0.89 7.81 45 G 8.13 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 46 E 8.94 4.71 0.00 1.91 1.91 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 2.20 2.20 0.00 47 T 7.60 4.55 4.17 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 1.17 0.00 0.00 48 V 7.87 2.84 1.76 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 0.15 0.00 0.00 0.69 0.00 0.00 49 D 7.19 4.89 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.18 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 51 N 8.29 4.44 0.00 2.76 2.94 0.00 0.00 6.69 7.68 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 52 R 8.17 4.63 0.00 1.91 2.13 0.00 3.32 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 53 R 8.33 4.17 0.00 2.11 2.07 0.00 2.95 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 54 I 8.70 4.11 2.06 0.00 0.00 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 1.33 1.00 1.20 0.00 0.00 55 I 7.22 4.34 1.60 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.97 0.00 0.00 56 G 8.61 4.57 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 0.00 0.00 0.00 57 Y 9.43 5.39 0.00 3.03 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 58 V 8.15 3.72 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 0.80 0.00 0.00 59 I 7.51 3.34 1.65 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.90 0.00 0.00 60 S 7.82 4.11 0.00 3.71 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 61 N 7.84 4.71 0.00 2.78 2.82 0.00 0.00 6.07 7.33 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 62 Q 7.63 3.38 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 63 Q 7.84 4.82 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 64 I 8.30 5.09 1.91 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 1.54 1.04 0.92 0.00 0.00 65 T 9.25 4.56 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 66 P 0.00 4.14 0.00 1.87 0.93 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 67 G 8.11 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 68 P 0.00 4.38 0.00 2.28 2.37 0.00 3.98 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 2.12 2.08 0.00 69 A 7.90 4.70 1.39 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 0.00 0.00 0.00 70 Y 7.90 4.89 0.00 3.28 2.93 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 71 S 7.67 4.54 0.00 3.87 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 72 N 5.90 3.65 0.00 2.68 2.82 0.00 0.00 7.07 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 73 R 6.97 4.50 0.00 1.63 1.86 0.00 3.06 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 74 E 7.95 5.37 0.00 2.00 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 2.19 2.15 0.00 75 T 7.90 4.66 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 1.06 0.00 0.00 76 I 8.42 4.61 1.89 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 1.52 0.38 1.27 0.00 0.00 77 Y 8.81 4.74 0.00 3.05 2.77 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 78 P 0.00 4.75 0.00 2.29 2.23 0.00 3.87 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 79 N 7.93 4.76 0.00 2.69 2.77 0.00 0.00 7.09 7.98 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 80 A 6.99 2.58 1.03 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 81 S 7.69 5.33 0.00 3.54 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 82 L 7.66 4.64 0.00 0.27 0.13 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.00 4.56 0.00 1.68 1.62 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.82 4.31 0.00 1.84 1.63 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 85 R 8.21 4.50 0.00 1.77 1.79 0.00 3.33 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 86 N 8.45 4.08 0.00 2.75 2.80 0.00 0.00 6.94 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 87 V 8.00 4.11 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 1.03 0.00 0.00 88 T 8.16 5.00 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 1.28 0.00 0.00 89 R 8.87 3.94 0.00 2.01 2.33 0.00 2.96 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 90 N 8.20 4.18 0.00 2.71 2.89 0.00 0.00 6.97 8.47 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 91 D 8.08 4.60 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.03 3.74 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 1.20 0.00 0.00 93 G 7.27 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 0.00 0.00 0.00 0.00 94 S 8.14 4.72 0.00 3.68 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 95 Y 8.61 5.30 0.00 3.32 3.28 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 96 T 8.66 4.58 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 1.19 0.00 0.00 97 L 8.74 4.46 0.00 0.27 0.81 0.59 -0.56 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 98 Q 9.07 4.89 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 99 V 8.20 4.74 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 1.21 0.00 0.00 0.98 0.00 0.00 100 I 8.51 4.75 1.82 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 1.22 0.40 0.90 0.00 0.00 101 K 8.81 5.37 0.00 1.62 1.67 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.39 7.81 102 L 8.70 3.99 0.00 1.61 1.73 0.89 1.05 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 0.00 103 N 8.13 4.62 0.00 2.79 2.75 0.00 0.00 7.21 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 0.00 104 L 7.85 3.89 0.00 1.84 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.20 4.96 0.00 1.84 1.95 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 2.50 2.69 0.00 106 S 8.19 5.61 0.00 3.89 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 0.00 107 E 8.62 4.87 0.00 1.95 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 2.29 2.36 0.00 108 E 8.39 4.82 0.00 1.76 1.75 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 2.14 2.25 0.00 109 V 8.02 4.15 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 0.57 0.00 0.00 0.97 0.00 0.00 110 T 8.80 4.50 4.29 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 0.00 0.00 0.00 1.33 0.00 0.00 111 G 9.19 4.31 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 0.00 112 Q 8.70 5.35 0.00 2.22 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 113 F 8.29 5.10 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 0.00 114 S 8.68 4.85 0.00 3.88 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 0.00 115 V 8.22 5.05 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 0.88 0.00 0.00 1.05 0.00 0.00 116 H 8.69 5.06 0.00 3.31 3.38 0.00 5.51 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.61 0.00 2.11 2.15 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 118 E 8.02 4.39 0.00 1.94 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 2.30 2.37 0.00 119 T 7.18 4.72 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 0.00 120 P 0.00 4.49 0.00 2.20 2.10 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 121 K 8.03 4.44 0.00 1.69 1.72 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.30 1.32 7.81 122 P 0.00 4.49 0.00 2.22 2.08 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 123 S 8.00 4.65 0.00 3.81 3.76 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 0.00 124 I 8.51 3.85 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 1.30 0.80 0.91 0.00 0.00 125 S 8.08 4.17 0.00 3.87 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 0.00 126 G 8.61 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 0.00 127 P 0.00 4.28 0.00 2.19 2.09 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 128 S 8.22 4.73 0.00 3.79 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 0.00 129 S 8.84 4.21 0.00 3.87 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 0.00 130 G 7.85 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