NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2565 8.3044 120.3527 55.1235 33.9362 174.4104 2 L 3.4486 8.0633 127.0813 55.2034 41.1095 179.9633 3 K 3.9741 7.9001 125.1431 53.7931 36.5355 174.0611 4 Q 4.9058 7.3306 120.5131 55.4549 32.6218 172.3353 5 V 4.0284 8.7188 124.4465 62.5639 33.2923 174.0204 6 E 4.8807 8.7932 126.8672 54.6309 31.9544 174.9378 7 I 4.9067 8.6949 125.8723 59.3373 40.8391 174.6026 8 F 5.4813 9.1289 124.6110 55.9856 42.3573 174.3244 9 T 5.3564 8.5159 111.5318 60.7554 72.2101 172.5027 10 D 4.7016 8.6394 118.8733 53.7115 45.1864 174.5426 11 G 4.7268 8.7771 110.4236 44.9702 0.0000 171.5147 12 S 5.0471 8.8032 113.4864 57.6034 66.3449 172.6817 13 C 5.1681 8.5581 125.5497 57.9790 34.1573 173.5356 14 L 4.3457 9.2001 125.3558 55.7906 41.9505 176.2593 15 G 4.0765 7.4689 106.3191 45.0310 0.0000 173.0753 16 N 4.9717 8.1885 116.9079 51.1016 38.6076 171.7791 17 P 4.5855 0.0000 0.0000 61.6218 33.9678 174.9763 18 G 4.0742 8.5311 106.4921 44.8682 0.0000 170.9523 19 P 4.9895 0.0000 0.0000 62.9610 32.3726 175.6608 20 G 4.4599 9.1164 108.0215 45.8288 0.0000 171.1491 21 G 4.6965 9.5074 106.5410 45.3955 0.0000 171.5443 22 Y 5.5345 8.3449 117.3239 55.0658 42.1620 174.7924 23 G 4.5196 9.5005 106.7815 44.7581 0.0000 171.4850 24 A 5.4843 9.7846 126.4590 50.3731 23.0647 174.6736 25 I 5.0699 9.1423 122.3836 59.4639 40.8252 174.7049 26 L 5.0259 9.1908 126.3268 53.4751 44.7936 175.8625 27 R 5.1298 9.1321 125.3143 53.9012 30.1870 173.0415 28 Y 4.4746 8.3177 122.2555 56.9151 39.8363 175.6590 29 R 3.8044 8.4513 128.5826 55.2445 28.1697 177.1522 30 G 3.6165 8.4452 105.9588 48.7412 0.0000 174.1716 31 R 4.2611 7.2544 118.8950 55.7599 30.9517 174.6696 32 E 5.2676 8.3203 119.0459 54.6776 32.7483 174.6236 33 K 4.6387 9.3106 125.0402 54.8737 36.5234 175.1945 34 T 4.9643 8.1838 119.7174 61.6966 71.4433 173.3796 35 F 5.0780 9.1170 124.2976 55.8968 42.3525 174.2124 36 S 4.8975 8.8468 115.5030 58.0999 65.4496 173.0348 37 A 4.3016 7.2262 124.8713 50.9985 22.4949 175.1084 38 G 4.3211 8.1844 106.3058 44.5261 0.0000 171.3878 39 Y 5.7730 8.8597 120.7724 55.3643 39.9566 177.1566 40 T 3.9759 8.6872 113.8281 64.4190 70.4540 174.1386 41 R 4.5132 7.8048 122.1145 55.6098 32.6447 173.7130 42 T 3.9167 8.1209 122.3445 61.7331 71.4031 171.7928 43 T 4.8261 7.9336 109.0577 59.0644 72.1994 174.2565 44 N 4.2437 8.6431 119.1079 56.9323 39.0249 176.2335 45 N 4.1627 8.0036 117.3347 56.5661 38.4781 177.4175 46 R 3.8836 7.5942 119.0449 59.5395 30.1616 179.1000 47 M 4.1736 7.9321 117.9765 58.1919 31.4628 178.6902 48 E 4.1151 8.3365 119.0564 59.0775 29.6049 179.3594 49 L 3.7264 7.8845 118.8931 58.0800 41.7991 178.9765 50 M 3.7250 8.1636 118.7838 58.6206 31.8981 178.4087 51 A 3.6257 7.7925 120.0091 55.3929 18.4772 179.4538 52 A 3.9518 7.5804 118.0920 55.2489 18.4605 179.8374 53 I 3.5400 7.6229 118.1662 64.4663 37.1666 178.6667 54 V 3.2800 7.8124 118.9700 65.8272 31.0600 177.6571 55 A 3.5043 7.1088 118.2734 55.1725 18.5169 179.2477 56 L 3.9300 7.8717 117.3281 58.0566 41.4981 179.7428 57 E 3.9658 8.2781 117.3137 59.1126 29.3740 178.9962 58 A 4.1564 7.3951 119.6754 53.2605 18.4082 177.3843 59 L 4.0621 7.2416 118.1535 54.1713 41.9157 176.9229 60 K 4.3919 8.4722 122.3842 56.1637 33.1540 176.0572 61 E 4.6651 7.6051 118.4366 54.1925 31.8305 175.2378 62 H 4.4571 8.7471 120.1640 56.6664 29.8150 174.2742 63 C 5.0327 9.0763 119.6913 57.9824 33.1601 172.7857 64 E 4.8168 8.6184 119.0428 55.3044 30.3751 175.4227 65 V 4.5962 8.4558 125.4427 61.0137 34.4595 174.7198 66 I 4.5081 8.4721 126.3218 59.2136 40.6072 173.2812 67 L 4.6803 8.0909 132.4677 53.0977 44.1760 174.7215 68 S 5.1256 8.6583 121.7623 56.8754 64.6054 172.5553 69 T 5.0347 8.7279 120.0041 61.4054 70.9057 173.4265 70 D 5.3631 8.8383 124.3644 52.5267 40.6319 177.0603 71 S 4.2361 8.1538 116.6799 58.7072 63.3506 174.3656 72 Q 3.7926 8.7530 129.9393 59.0845 28.9710 177.1792 73 Y 4.3452 8.1169 120.2682 60.9360 38.8719 178.4023 74 V 3.6125 7.9289 118.9058 65.8158 31.5920 177.6091 75 R 2.5100 7.3545 118.2913 59.1933 29.5705 178.3845 76 Q 3.1920 7.9673 118.2286 58.5067 28.4428 179.1989 77 G 2.6594 7.0420 106.4928 47.3013 0.0000 175.9023 78 I 3.6131 7.1366 121.3804 64.1895 37.3059 178.2191 79 T 4.0283 7.3939 109.2702 63.5101 68.8554 175.1893 80 Q 4.1273 7.3866 117.6450 56.7246 31.5788 177.4837 81 W 3.3818 7.1056 117.0027 59.3628 28.9782 178.1878 82 I 3.3057 6.8161 118.6972 64.3103 37.3347 177.5412 83 H 4.1795 7.3735 115.3266 58.6342 28.6496 177.2312 84 N 4.2838 7.5624 118.6597 55.5288 38.2873 177.4009 85 W 4.1627 7.5984 120.5592 59.5456 29.1255 178.5134 86 K 3.2254 7.4517 118.3315 59.4449 31.2846 179.4698 87 K 3.9938 7.5573 116.5830 58.6728 31.6940 178.5626 88 R 4.5651 7.2700 116.0049 54.9726 30.1212 176.7293 89 G 4.4253 8.3098 105.8955 46.3591 0.0000 174.0578 90 W 3.4907 8.4580 116.5782 57.5674 26.8371 174.3547 91 K 4.9616 7.4597 115.3473 54.6762 35.5403 177.5529 92 T 4.2656 8.6962 112.1068 60.6643 70.7759 174.9367 93 A 4.0000 8.5804 123.2981 55.2243 18.1620 177.7518 94 D 4.7654 7.9718 114.5400 53.5898 40.0820 176.9400 95 K 4.3599 7.5573 115.8065 58.2456 30.6166 175.4640 96 K 4.5427 7.1287 117.0780 53.9870 33.8112 174.3170 97 P 4.7698 0.0000 0.0000 62.6019 31.8290 176.9321 98 V 3.5392 8.1296 116.9504 61.1880 32.7528 175.6276 99 K 3.8822 8.3511 125.0741 57.2972 32.9884 176.1586 100 N 4.3831 9.0499 123.2794 54.4938 36.0990 176.6839 101 V 3.5671 7.5155 121.8934 64.9489 30.7541 176.9543 102 D 4.2421 8.0642 119.1345 56.6048 38.9255 178.8246 103 L 3.9374 7.6973 119.8920 56.9677 41.7359 179.2692 104 W 4.5509 8.2388 118.9225 59.8730 28.8957 178.6952 105 Q 3.8270 7.9144 118.2008 58.9503 28.1038 178.8936 106 R 3.9173 7.7076 118.7579 58.7864 29.9994 178.7711 107 L 4.2072 7.9136 120.3841 57.7396 41.7311 178.2034 108 D 4.5248 8.7276 118.2359 57.2577 40.9774 177.8917 109 A 4.0568 8.2093 120.2662 55.5053 18.8634 179.3067 110 A 4.0963 7.7325 117.5324 55.1100 18.5059 179.6165 111 L 4.1722 8.3215 117.9299 58.1975 41.5270 179.9393 112 G 3.7471 7.7436 103.5032 47.0981 0.0000 174.4987 113 Q 4.0045 7.6834 117.9205 57.3142 29.1423 174.8922 114 H 5.0000 7.4004 112.9139 54.2701 33.5641 173.8215 115 Q 4.3957 9.0632 119.8426 54.9657 28.5507 174.2871 116 I 4.3804 7.9463 123.9295 59.4885 39.1666 174.8597 117 K 4.4135 8.2795 127.5209 54.3315 34.6436 174.4582 118 W 4.6191 8.6028 127.3069 54.9329 30.9342 175.3934 119 E 4.1485 8.5392 127.3055 54.2220 29.9991 174.9811 120 W 5.0724 8.2841 127.6082 56.3974 29.3836 176.5230 121 V 3.8609 8.7469 119.8350 60.6571 32.0134 177.4293 122 K 4.0084 9.2014 124.8047 57.0432 33.1128 177.8110 123 G 4.2531 8.0094 114.6582 45.4103 0.0000 172.3157 124 H 4.2448 8.6164 127.1999 57.2683 28.1479 175.5599 125 A 4.1853 7.8546 121.0622 53.8334 18.2609 177.5249 126 G 3.9523 9.3955 112.2090 45.6677 0.0000 173.1657 127 H 4.9241 8.1084 116.5780 52.2390 29.2169 171.9642 128 P 4.1941 0.0000 0.0000 66.1649 31.3021 178.5374 129 E 3.7360 7.7613 117.5558 58.9420 29.2258 178.7547 130 N 4.5774 7.9495 115.9286 55.7533 38.7742 177.2484 131 E 3.5734 7.9421 120.4326 59.2542 29.4809 179.2891 132 R 3.8745 8.0178 118.6885 59.6543 30.0819 178.3176 133 C 4.1969 8.1319 116.5904 63.1115 28.0011 175.6332 134 H 4.2523 8.3541 119.9615 59.1946 29.3893 177.2712 135 E 3.9454 8.1712 120.5736 59.2826 29.3024 179.2487 136 L 3.9434 8.1875 118.9629 57.6622 41.7007 179.3809 137 A 4.0552 8.3452 120.9451 55.3122 18.1984 179.5628 138 R 3.8161 7.9266 115.2461 59.6285 30.3797 178.8240 139 A 4.0883 8.1914 120.0295 55.1442 18.3738 179.6004 140 A 3.8996 8.0226 119.1021 55.0498 18.2033 179.7122 141 A 4.0999 7.9077 118.5163 55.2676 18.4805 179.1809 142 M 4.2905 7.5413 115.7029 56.6513 33.5642 176.6440 143 N 4.9959 7.7584 115.5144 50.8473 39.6048 172.2206 144 P 4.3340 0.0000 0.0000 62.9572 32.5669 176.6850 145 T 4.4389 8.1925 117.8610 63.8940 71.5294 174.1613 146 L 4.5600 8.0921 120.7222 53.0636 44.6810 175.0658 147 E 4.9483 8.5367 120.5786 54.7725 32.0462 175.9072 148 D 4.7946 8.8153 126.2813 52.7824 40.0314 176.3668 149 T 3.9091 8.4455 120.6432 66.2124 68.7979 175.6768 150 G 4.1691 7.9190 106.0838 45.6140 0.0000 173.0286 151 Y 4.4021 7.6299 122.2293 57.4770 39.1742 175.1314 152 Q 4.0522 7.6004 123.1174 54.7479 31.2590 175.6005 153 V 3.3248 7.9144 122.6525 65.1374 33.4603 176.5269 154 E 3.7331 7.6890 118.9348 56.7042 27.5471 176.8495 155 V 4.0260 9.2521 125.8126 64.5177 32.0855 168.8928 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 4.26 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 2 L 8.06 3.45 0.00 1.95 1.68 1.04 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.90 3.97 0.00 1.84 1.97 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.42 7.81 4 Q 7.33 4.91 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 5 V 8.72 4.03 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 1.02 0.00 0.00 0.99 0.00 0.00 6 E 8.79 4.88 0.00 1.97 1.61 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 2.15 2.23 0.00 7 I 8.69 4.91 1.61 0.00 0.00 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 1.16 0.51 0.82 0.00 0.00 8 F 9.13 5.48 0.00 3.02 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 9 T 8.52 5.36 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 1.28 0.00 0.00 10 D 8.64 4.70 0.00 2.86 2.63 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 11 G 8.78 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 0.00 0.00 0.00 0.00 12 S 8.80 5.05 0.00 3.92 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 13 C 8.56 5.17 0.00 2.93 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 14 L 9.20 4.35 0.00 1.63 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.47 4.08 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 0.00 0.00 0.00 16 N 8.19 4.97 0.00 2.65 2.68 0.00 0.00 6.93 7.69 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 17 P 0.00 4.59 0.00 1.85 1.80 0.00 3.92 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 2.01 2.18 0.00 18 G 8.53 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 19 P 0.00 4.99 0.00 2.31 2.21 0.00 3.85 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 2.07 1.83 0.00 20 G 9.12 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.51 4.70 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 0.00 0.00 0.00 22 Y 8.34 5.53 0.00 3.17 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 23 G 9.50 4.52 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 0.00 0.00 0.00 24 A 9.78 5.48 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 25 I 9.14 5.07 2.19 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 1.30 0.86 1.06 0.00 0.00 26 L 9.19 5.03 0.00 1.98 1.76 0.96 1.24 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 27 R 9.13 5.13 0.00 1.82 1.92 0.00 3.18 0.00 0.00 3.26 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 28 Y 8.32 4.47 0.00 2.91 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 29 R 8.45 3.80 0.00 1.72 1.77 0.00 2.81 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 30 G 8.45 3.62 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 0.00 0.00 0.00 31 R 7.25 4.26 0.00 2.10 1.85 0.00 3.01 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.42 0.00 32 E 8.32 5.27 0.00 1.92 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 2.22 2.38 0.00 33 K 9.31 4.64 0.00 1.63 1.23 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.43 7.81 34 T 8.18 4.96 4.14 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 1.21 0.00 0.00 35 F 9.12 5.08 0.00 3.15 3.18 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 36 S 8.85 4.90 0.00 3.82 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 37 A 7.23 4.30 1.01 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 38 G 8.18 4.32 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 0.00 39 Y 8.86 5.77 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 40 T 8.69 3.98 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 1.25 0.00 0.00 41 R 7.80 4.51 0.00 1.83 1.89 0.00 3.38 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 42 T 8.12 3.92 4.11 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 1.19 0.00 0.00 43 T 7.93 4.83 4.15 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 1.10 0.00 0.00 44 N 8.64 4.24 0.00 2.82 2.80 0.00 0.00 6.86 6.71 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 45 N 8.00 4.16 0.00 2.47 2.01 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 46 R 7.59 3.88 0.00 1.71 1.84 0.00 3.38 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 47 M 7.93 4.17 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.81 0.00 48 E 8.34 4.12 0.00 2.29 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 0.00 2.42 2.64 0.00 49 L 7.88 3.73 0.00 1.85 1.48 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.16 3.72 0.00 1.66 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 2.37 2.62 0.00 51 A 7.79 3.63 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 3.95 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 53 I 7.62 3.54 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.84 0.00 0.00 54 V 7.81 3.28 1.56 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 0.73 0.00 0.00 0.61 0.00 0.00 55 A 7.11 3.50 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 56 L 7.87 3.93 0.00 1.67 1.68 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.28 3.97 0.00 1.78 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 2.30 2.38 0.00 58 A 7.40 4.16 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 59 L 7.24 4.06 0.00 1.62 1.46 0.59 0.65 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 60 K 8.47 4.39 0.00 1.71 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.41 7.81 61 E 7.61 4.67 0.00 1.88 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 2.21 2.27 0.00 62 H 8.75 4.46 0.00 3.11 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.08 5.03 0.00 2.73 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 64 E 8.62 4.82 0.00 1.88 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 2.30 2.33 0.00 65 V 8.46 4.60 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 0.60 0.00 0.00 0.69 0.00 0.00 66 I 8.47 4.51 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.09 0.86 0.00 0.00 67 L 8.09 4.68 0.00 1.12 0.64 0.59 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.66 5.13 0.00 3.84 3.58 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 69 T 8.73 5.03 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 1.65 0.00 0.00 70 D 8.84 5.36 0.00 2.94 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 71 S 8.15 4.24 0.00 4.07 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 72 Q 8.75 3.79 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 73 Y 8.12 4.35 0.00 3.20 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 74 V 7.93 3.61 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 1.03 0.00 0.00 0.98 0.00 0.00 75 R 7.35 2.51 0.00 0.73 1.42 0.00 2.21 0.00 0.00 2.58 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 76 Q 7.97 3.19 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 77 G 7.04 2.66 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 78 I 7.14 3.61 1.44 0.00 0.00 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 1.39 -0.36 0.52 0.00 0.00 79 T 7.39 4.03 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 1.03 0.00 0.00 80 Q 7.39 4.13 0.00 1.49 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 81 W 7.11 3.38 0.00 1.84 1.74 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 82 I 6.82 3.31 1.77 0.00 0.00 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 1.67 1.43 0.85 0.00 0.00 83 H 7.37 4.18 0.00 3.36 3.46 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.56 4.28 0.00 2.45 2.74 0.00 0.00 7.17 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 85 W 7.60 4.16 0.00 2.73 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 0.00 0.00 0.00 0.00 86 K 7.45 3.23 0.00 1.78 1.78 0.00 1.88 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.22 1.29 7.81 87 K 7.56 3.99 0.00 1.84 1.83 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.63 7.81 88 R 7.27 4.57 0.00 1.95 1.90 0.00 3.25 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 89 G 8.31 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 0.00 0.00 0.00 0.00 90 W 8.46 3.49 0.00 3.53 3.18 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 91 K 7.46 4.96 0.00 1.63 1.64 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 92 T 8.70 4.27 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 1.13 0.00 0.00 93 A 8.58 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.97 4.77 0.00 2.89 2.87 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 95 K 7.56 4.36 0.00 1.84 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.53 7.81 96 K 7.13 4.54 0.00 1.60 1.67 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.36 7.81 97 P 0.00 4.77 0.00 1.88 1.94 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 98 V 8.13 3.54 1.01 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 -0.10 0.00 0.00 0.73 0.00 0.00 99 K 8.35 3.88 0.00 1.78 1.83 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 100 N 9.05 4.38 0.00 3.19 2.92 0.00 0.00 6.88 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 0.00 101 V 7.52 3.57 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 0.69 0.00 0.00 0.47 0.00 0.00 102 D 8.06 4.24 0.00 2.82 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 0.00 103 L 7.70 3.94 0.00 1.70 1.51 0.80 0.85 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 0.00 104 W 8.24 4.55 0.00 3.41 3.58 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 0.00 105 Q 7.91 3.83 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 106 R 7.71 3.92 0.00 1.93 1.94 0.00 3.08 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 107 L 7.91 4.21 0.00 1.81 1.80 1.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.73 4.52 0.00 3.32 3.09 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 0.00 109 A 8.21 4.06 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 0.00 110 A 7.73 4.10 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 0.00 111 L 8.32 4.17 0.00 2.09 1.91 1.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.74 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 0.00 0.00 0.00 113 Q 7.68 4.00 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 114 H 7.40 5.00 0.00 3.02 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.06 4.40 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 116 I 7.95 4.38 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.59 -0.35 0.00 0.00 117 K 8.28 4.41 0.00 1.70 1.44 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.26 7.81 118 W 8.60 4.62 0.00 2.44 1.74 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 0.00 119 E 8.54 4.15 0.00 1.90 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 2.23 2.26 0.00 120 W 8.28 5.07 0.00 3.26 3.04 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 0.00 121 V 8.75 3.86 1.93 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 0.77 0.00 0.00 1.07 0.00 0.00 122 K 9.20 4.01 0.00 1.90 1.92 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.50 7.81 123 G 8.01 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 0.00 0.00 0.00 0.00 124 H 8.62 4.24 0.00 3.38 3.41 0.00 5.65 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 0.00 125 A 7.85 4.19 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 0.00 126 G 9.40 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 0.00 0.00 0.00 127 H 8.11 4.92 0.00 3.21 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.19 0.00 2.16 2.27 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 129 E 7.76 3.74 0.00 1.16 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 1.47 2.01 0.00 130 N 7.95 4.58 0.00 3.03 3.01 0.00 0.00 7.17 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 0.00 131 E 7.94 3.57 0.00 2.10 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 2.48 0.00 132 R 8.02 3.87 0.00 1.84 2.03 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 8.13 4.20 0.00 3.30 3.26 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 0.00 134 H 8.35 4.25 0.00 3.64 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.17 3.95 0.00 2.24 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 0.00 2.33 2.52 0.00 136 L 8.19 3.94 0.00 1.96 1.73 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.35 4.06 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 0.00 138 R 7.93 3.82 0.00 1.95 1.99 0.00 3.16 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 139 A 8.19 4.09 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 0.00 140 A 8.02 3.90 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 0.00 141 A 7.91 4.10 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 0.00 142 M 7.54 4.29 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.97 0.00 143 N 7.76 5.00 0.00 2.61 2.66 0.00 0.00 6.99 7.59 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 0.00 144 P 0.00 4.33 0.00 2.01 2.14 0.00 3.59 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 2.01 2.23 0.00 145 T 8.19 4.44 4.10 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 1.14 0.00 0.00 146 L 8.09 4.56 0.00 0.67 1.31 0.74 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.54 4.95 0.00 1.98 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 2.43 0.00 148 D 8.82 4.79 0.00 2.67 2.79 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 0.00 0.00 0.00 149 T 8.45 3.91 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 1.23 0.00 0.00 150 G 7.92 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 0.00 0.00 0.00 0.00 151 Y 7.63 4.40 0.00 2.87 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 0.00 152 Q 7.60 4.05 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 153 V 7.91 3.32 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 0.78 0.00 0.00 0.82 0.00 0.00 154 E 7.69 3.73 0.00 1.92 1.61 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 2.28 2.13 0.00 155 V 9.25 4.03 2.04 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 0.80 0.00 0.00 0.90 0.00 0.00