NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4659 8.0333 117.3336 63.3589 70.6075 172.3049 3 K 5.0572 8.5770 124.1960 54.2469 35.9609 173.3619 4 A 5.4036 9.0054 124.7793 50.7216 23.8742 174.7029 5 V 4.9962 8.7788 117.3220 60.8110 35.3973 173.2507 6 C 4.9451 9.1806 122.3993 57.8241 35.0383 172.8045 7 V 4.3919 8.4139 126.4255 61.7490 32.5490 174.5684 8 L 4.6576 8.7777 130.1439 54.2283 42.6699 176.5180 9 K 4.8980 9.1349 122.5847 55.9913 36.7123 175.1270 10 G 4.3285 8.1917 106.7799 46.0559 0.0000 173.5206 11 D 4.6661 9.1454 120.3561 52.5732 39.2997 176.6376 12 G 4.2195 7.6844 111.8286 43.4991 0.0000 168.3491 13 P 4.4095 0.0000 0.0000 64.0380 31.9093 176.6350 14 V 4.1731 7.6471 120.3297 62.9511 32.0521 175.0343 15 Q 4.8244 8.5634 124.4001 55.5997 32.3962 173.3864 16 G 4.2243 8.3501 107.0560 46.2258 0.0000 171.9227 17 I 5.1278 8.0977 119.4230 59.4562 40.9384 175.0256 18 I 4.6853 8.7469 127.6847 59.4853 40.1375 174.5142 19 N 4.9223 8.5377 124.8017 51.5209 41.0099 174.0182 20 F 5.3674 8.8952 119.7154 55.8857 43.3272 173.7706 21 E 5.2290 9.6437 122.8953 54.9144 33.4880 173.6241 22 Q 4.7365 9.1239 127.6065 54.5410 30.9485 175.0813 23 K 4.2652 9.0370 126.5546 58.1252 32.9184 177.1304 24 E 4.7849 7.8129 117.3183 53.6461 33.2091 175.0485 25 S 4.2173 8.6538 116.4099 60.1219 63.1842 174.1588 26 N 4.1978 9.0048 119.5996 53.6968 36.0599 174.3780 27 G 3.9628 7.9207 108.1371 43.8842 0.0000 171.9805 28 P 4.6081 0.0000 0.0000 62.6043 32.3074 176.3554 29 V 4.6121 8.9607 122.8920 61.1817 33.7743 174.7895 30 K 4.7735 9.2374 128.6254 56.1232 33.6487 176.0868 31 V 4.7790 9.1528 125.4189 60.7961 34.0785 174.2283 32 W 5.5543 8.7171 124.4606 54.5286 31.7245 175.4034 33 G 3.9909 7.9343 108.0397 46.2643 0.0000 171.2729 34 S 5.1420 7.7228 115.1828 57.2328 67.1518 173.8343 35 I 5.1544 8.7526 121.3972 59.5852 41.5128 174.4962 36 K 4.8980 9.3177 124.9056 55.5586 36.3212 176.9959 37 G 3.8926 9.0586 107.0185 45.2845 0.0000 173.5600 38 L 4.3878 7.5736 120.0765 53.4624 42.8459 176.5086 39 T 4.3024 8.1483 111.1613 60.9598 69.6197 174.1477 40 E 4.1460 8.6041 124.5925 57.3563 30.5141 175.1538 41 G 3.8117 8.5343 111.1740 44.0085 0.0000 172.2571 42 L 4.8325 8.2689 119.5433 54.8066 42.8709 176.5008 43 H 5.0070 9.1218 119.4645 53.5950 32.8005 173.2456 44 G 4.0356 9.2038 111.2446 46.9645 0.0000 172.2362 45 F 5.5007 9.0515 125.2747 56.8342 42.2914 173.0430 46 H 5.0833 8.8381 122.7330 53.9883 33.7002 172.8346 47 V 4.3627 8.5403 121.6184 62.6706 32.5218 175.0483 48 H 5.0852 9.6499 126.0946 54.4372 30.6116 175.8858 49 E 3.6871 8.9885 122.5804 58.8414 29.8186 177.1212 50 F 4.9109 8.4115 118.1221 54.8663 41.8268 176.7223 51 G 4.3900 8.3518 111.0598 44.4925 0.0000 174.0569 52 D 4.7474 7.9892 118.2678 52.6213 42.4746 174.3966 53 N 5.1758 8.8175 123.8437 52.7370 39.1191 175.5378 54 T 3.9753 8.6614 108.4194 63.5106 69.2222 174.1269 55 A 4.6170 7.8960 125.7656 51.2996 19.2453 175.6284 56 G 3.9684 7.9265 112.7745 46.2698 0.0000 173.8535 57 C 4.2192 8.5287 115.0217 62.8387 27.9418 175.8816 58 T 3.9550 7.4900 117.9229 66.3694 67.8398 175.9741 59 S 4.4407 7.9265 112.5516 59.4095 63.5855 175.3493 60 A 4.5049 7.4432 126.6928 54.4282 18.2857 178.6730 61 G 3.7786 8.0842 106.0656 44.4377 0.0000 170.8629 62 P 4.6820 0.0000 0.0000 62.1099 33.6001 175.3033 63 H 4.4876 8.4105 116.5948 55.7411 29.4841 175.6177 64 F 4.2583 9.0651 125.4637 58.1440 40.2205 175.3025 65 N 5.0935 7.9182 126.1700 51.7153 38.8733 173.2762 66 P 4.2084 0.0000 0.0000 65.1060 32.0288 177.6676 67 L 4.3055 7.6019 116.6427 53.7727 42.3029 176.0299 68 S 3.6171 7.5755 113.9972 59.6151 60.6014 171.8977 69 R 4.5214 8.1799 118.1292 54.7596 32.2700 176.7387 70 K 4.4262 8.8783 118.9969 55.7998 33.7287 176.4841 71 H 4.0973 8.7320 122.7565 56.2396 30.1398 175.0394 72 G 3.8585 7.3464 114.1162 46.3207 0.0000 175.3053 73 G 5.0130 8.6852 121.8493 46.5509 0.0000 171.0886 74 P 4.3981 0.0000 0.0000 61.4598 32.3439 176.2912 75 K 4.0313 8.3560 120.8735 57.2518 30.8431 175.9185 *77 E 4.0800 7.5666 119.5755 56.1577 31.2287 175.9240 78 E 3.9586 8.3646 121.4588 57.0386 30.0793 176.2025 79 R 4.6040 7.7420 119.0560 55.7870 32.3377 174.2711 80 H 4.3992 8.5248 116.1251 55.5240 29.4944 176.5464 81 V 3.4355 8.3479 123.2726 66.2822 31.6504 177.0353 82 G 3.9185 8.4071 105.0391 47.0413 0.0000 173.4261 83 D 5.0693 8.1287 121.4187 53.3436 40.3152 175.7326 84 L 4.6922 8.1965 123.3528 52.9934 42.7966 178.5331 85 R 3.8395 8.3943 121.4482 57.8446 28.2966 177.3441 86 N 5.6711 8.7585 122.3681 52.5826 41.8314 173.1792 87 V 4.1475 8.5738 115.1555 60.4633 34.5717 175.1488 88 T 4.9711 8.2309 118.7503 61.9294 71.0940 172.9647 89 A 5.0051 8.9917 129.7419 50.6041 21.1888 177.0001 90 D 4.7175 8.5870 121.8850 51.7866 41.5053 177.0868 91 K 3.8672 8.5108 119.1267 59.5917 32.0800 177.2025 92 D 4.4872 8.2036 115.9901 54.5653 41.3323 176.9480 93 G 4.1150 8.7103 108.7883 44.2924 0.0000 172.4547 94 V 4.6466 8.0796 120.1698 60.9695 33.5008 174.4155 95 A 5.3177 9.0470 130.4727 49.7880 20.7296 175.2798 96 D 4.8488 8.6425 123.2837 53.7775 41.9704 176.2764 97 V 4.2577 8.6455 124.7403 61.0476 33.9606 174.7801 98 S 5.0321 8.5486 123.2180 57.5919 64.1294 172.5030 99 I 4.8661 9.3190 120.9364 59.0101 41.6932 173.7738 100 E 5.1558 8.6933 122.2203 54.5638 32.4193 173.8343 101 D 5.0955 9.3815 126.5458 52.4589 44.3808 175.9418 102 S 4.7117 8.8992 118.3010 58.2183 63.8651 174.6754 103 V 4.0022 7.9848 121.2879 65.0276 31.9895 176.3932 104 I 4.0706 7.7495 111.4385 61.2139 38.2172 174.6167 105 S 4.6498 8.4966 113.9690 57.5609 65.3593 174.2901 106 L 4.5586 8.5657 122.9617 54.3634 41.8492 176.4583 107 S 4.5403 7.9978 111.9863 58.2567 66.4677 176.2383 108 G 3.7474 8.4582 108.1589 46.1034 0.0000 172.7303 109 D 4.6344 8.4818 121.9050 54.6726 42.6155 176.7263 110 H 4.3862 10.2238 118.5422 56.1854 26.9989 174.6377 111 C 4.5151 8.1554 120.5876 59.5845 31.9057 173.0999 112 I 3.9663 8.2300 118.9469 60.2201 37.9539 175.5251 113 I 3.6622 7.3248 122.8876 62.9601 37.5422 176.3676 114 G 3.7903 9.2908 113.2231 45.4898 0.0000 173.0228 115 R 4.8559 7.4138 119.2397 54.8918 33.5613 174.6684 116 T 4.9870 7.9529 115.9949 61.9801 71.0988 173.8497 117 L 4.7448 8.5130 129.0457 54.2593 43.8725 175.4419 118 V 4.9647 8.7926 125.8472 61.0187 35.1509 174.1521 119 V 5.0203 8.5068 127.1321 60.6638 33.4786 174.9964 120 H 5.2272 9.0204 121.9303 54.0923 30.5677 174.7626 121 E 4.2110 9.0942 121.5117 59.0056 30.0712 176.3719 122 K 4.8150 8.5904 117.0404 53.7862 36.7312 175.5298 123 A 4.4808 8.3738 122.3228 52.2891 19.5073 176.3834 124 D 5.0059 9.5066 123.0731 53.9089 41.6862 175.8840 125 D 4.5938 9.3450 125.2920 53.1954 39.7497 176.8763 126 L 3.7094 9.7929 119.2813 56.1682 39.5613 175.9128 127 G 4.1886 8.6741 104.9175 45.8865 0.0000 174.7781 128 K 4.5006 8.0012 116.5981 55.9283 32.2751 177.6635 129 G 3.7210 8.0488 109.4440 46.0535 0.0000 175.4627 130 G 3.8932 9.2794 107.4811 45.4101 0.0000 172.1784 131 N 5.0410 7.5858 114.9223 49.6711 40.8250 174.4770 132 E 4.0348 8.8140 118.2467 59.4494 29.4898 178.0801 133 E 3.9064 8.2011 118.8396 59.3646 29.4996 178.4221 134 S 4.1056 8.6934 113.7070 61.5566 62.3863 175.7239 135 T 4.2365 7.9416 110.5085 62.7204 68.5863 175.7051 136 K 4.2794 7.6965 119.7862 57.8359 33.6566 176.8117 137 T 4.0708 7.8789 106.1409 60.0010 70.1247 175.1710 138 G 4.1471 8.2052 110.1447 45.6792 0.0000 173.4984 139 N 4.3265 7.7452 114.1855 54.1024 36.5639 175.1941 140 A 4.4016 7.0183 119.7408 51.6851 19.6336 179.9902 141 G 3.8862 7.9581 103.7337 45.2183 0.0000 173.2590 142 S 4.4452 8.5884 116.0929 58.4600 65.0012 174.2616 143 R 4.4670 8.3124 119.5730 54.8864 29.6848 176.4838 144 L 4.2967 8.6991 125.6729 57.4894 42.4657 177.6292 145 A 4.8872 7.7609 117.7740 51.4141 22.7147 174.8970 146 C 5.3279 8.2544 113.7550 58.6850 33.7521 172.7014 147 G 4.5341 8.0152 103.7328 46.1447 0.0000 172.6969 148 V 4.3951 8.3188 121.3136 62.2981 32.7427 175.6693 149 I 4.0027 8.9405 129.6340 61.2837 37.7556 175.3484 150 G 4.4000 8.8823 114.9654 43.8916 0.0000 172.1160 151 I 4.3920 8.3046 121.7843 61.1881 37.5952 175.4728 152 A 4.8176 8.6558 128.3935 49.5960 22.1993 176.1630 153 Q 4.0693 8.5050 118.6699 56.4664 29.2092 175.9692 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 T 8.03 4.47 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 1.22 0.00 0.00 3 K 8.58 5.06 0.00 1.95 1.74 0.00 1.68 0.00 0.00 1.94 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.60 7.81 4 A 9.01 5.40 1.10 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 0.00 0.00 5 V 8.78 5.00 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 0.77 0.00 0.00 0.94 0.00 0.00 6 C 9.18 4.95 0.00 3.13 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 7 V 8.41 4.39 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.78 4.66 0.00 1.75 1.61 1.08 0.41 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 9 K 9.13 4.90 0.00 1.77 1.84 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.39 7.81 10 G 8.19 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 11 D 9.15 4.67 0.00 2.68 2.65 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 12 G 7.68 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 0.00 0.00 0.00 0.00 13 P 0.00 4.41 0.00 2.18 2.18 0.00 3.77 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 1.96 1.94 0.00 14 V 7.65 4.17 2.07 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 0.79 0.00 0.00 0.96 0.00 0.00 15 Q 8.56 4.82 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.41 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 16 G 8.35 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 0.00 0.00 0.00 0.00 17 I 8.10 5.13 1.82 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 1.20 1.06 0.83 0.00 0.00 18 I 8.75 4.69 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.29 0.47 0.00 0.00 19 N 8.54 4.92 0.00 1.44 1.42 0.00 0.00 6.39 5.85 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 20 F 8.90 5.37 0.00 2.89 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 21 E 9.64 5.23 0.00 2.47 2.10 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 2.32 2.40 0.00 22 Q 9.12 4.74 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 23 K 9.04 4.27 0.00 1.81 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 E 7.81 4.78 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 25 S 8.65 4.22 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 9.00 4.20 0.00 2.91 2.98 0.00 0.00 7.05 7.65 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 27 G 7.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.61 0.00 1.99 2.04 0.00 3.67 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 2.05 2.11 0.00 29 V 8.96 4.61 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 1.37 0.00 0.00 1.03 0.00 0.00 30 K 9.24 4.77 0.00 1.93 1.85 0.00 1.58 0.00 0.00 1.38 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.43 7.81 31 V 9.15 4.78 2.15 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 0.67 0.00 0.00 1.06 0.00 0.00 32 W 8.72 5.55 0.00 3.49 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 33 G 7.93 3.99 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 0.00 0.00 0.00 34 S 7.72 5.14 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.75 5.15 1.79 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 1.27 0.70 0.95 0.00 0.00 36 K 9.32 4.90 0.00 1.72 1.87 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.34 7.81 37 G 9.06 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 38 L 7.57 4.39 0.00 1.79 1.37 0.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.15 4.30 4.28 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 1.24 0.00 0.00 40 E 8.60 4.15 0.00 1.96 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 2.45 0.00 41 G 8.53 3.81 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 0.00 0.00 0.00 42 L 8.27 4.83 0.00 1.52 1.75 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.12 5.01 0.00 3.02 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.20 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 0.00 0.00 0.00 45 F 9.05 5.50 0.00 2.95 2.89 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 46 H 8.84 5.08 0.00 3.11 3.00 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.54 4.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 48 H 9.65 5.09 0.00 3.05 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.99 3.69 0.00 1.70 1.16 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 1.47 2.05 0.00 50 F 8.41 4.91 0.00 3.15 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 51 G 8.35 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 0.00 0.00 0.00 0.00 52 D 7.99 4.75 0.00 2.63 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 53 N 8.82 5.18 0.00 2.69 2.74 0.00 0.00 7.37 7.70 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 54 T 8.66 3.98 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 1.24 0.00 0.00 55 A 7.90 4.62 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 56 G 7.93 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.53 4.22 0.00 2.96 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 58 T 7.49 3.96 4.40 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 1.23 0.00 0.00 59 S 7.93 4.44 0.00 4.01 3.97 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 0.00 0.00 0.00 60 A 7.44 4.50 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 61 G 8.08 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 0.00 0.00 0.00 62 P 0.00 4.68 0.00 2.05 2.22 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 63 H 8.41 4.49 0.00 2.83 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.07 4.26 0.00 2.91 2.95 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 65 N 7.92 5.09 0.00 2.64 2.46 0.00 0.00 6.93 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 66 P 0.00 4.21 0.00 2.08 2.01 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.12 0.00 67 L 7.60 4.31 0.00 1.56 1.68 0.91 0.89 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 68 S 7.58 3.62 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 69 R 8.18 4.52 0.00 1.85 1.96 0.00 3.29 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 70 K 8.88 4.43 0.00 1.62 1.69 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.52 7.81 71 H 8.73 4.10 0.00 3.24 3.28 0.00 5.99 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 72 G 7.35 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 73 G 8.69 5.01 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 74 P 0.00 4.40 0.00 2.05 2.00 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 75 K 8.36 4.03 0.00 1.86 1.89 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.48 7.81 *77 E 7.57 4.08 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 78 E 8.36 3.96 0.00 1.97 1.80 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 2.48 2.28 0.00 79 R 7.74 4.60 0.00 1.97 1.77 0.00 2.68 0.00 0.00 3.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 80 H 8.52 4.40 0.00 3.52 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.35 3.44 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 0.72 0.00 0.00 0.37 0.00 0.00 82 G 8.41 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 83 D 8.13 5.07 0.00 2.70 2.65 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 84 L 8.20 4.69 0.00 1.78 1.86 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.39 3.84 0.00 2.11 1.38 0.00 3.09 0.00 0.00 3.47 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 86 N 8.76 5.67 0.00 2.57 2.69 0.00 0.00 6.71 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 87 V 8.57 4.15 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 88 T 8.23 4.97 4.21 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 1.20 0.00 0.00 89 A 8.99 5.01 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 90 D 8.59 4.72 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.51 3.87 0.00 1.86 1.88 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.53 7.81 92 D 8.20 4.49 0.00 2.83 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 93 G 8.71 4.12 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 0.00 0.00 0.00 94 V 8.08 4.65 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 0.91 0.00 0.00 0.92 0.00 0.00 95 A 9.05 5.32 1.13 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 0.00 0.00 96 D 8.64 4.85 0.00 2.53 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 97 V 8.65 4.26 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 0.84 0.00 0.00 0.60 0.00 0.00 98 S 8.55 5.03 0.00 3.92 3.73 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 99 I 9.32 4.87 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.25 0.95 0.00 0.00 100 E 8.69 5.16 0.00 1.97 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 2.22 2.33 0.00 101 D 9.38 5.10 0.00 2.87 2.54 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 0.00 102 S 8.90 4.71 0.00 4.02 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 0.00 103 V 7.98 4.00 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 0.84 0.00 0.00 0.95 0.00 0.00 104 I 7.75 4.07 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 1.03 0.00 0.00 105 S 8.50 4.65 0.00 3.86 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 0.00 106 L 8.57 4.56 0.00 1.84 1.64 1.06 0.50 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 0.00 107 S 8.00 4.54 0.00 3.93 3.79 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 0.00 108 G 8.46 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 0.00 109 D 8.48 4.63 0.00 2.67 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 0.00 110 H 10.22 4.39 0.00 3.32 3.59 0.00 5.69 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.16 4.52 0.00 2.94 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 0.00 112 I 8.23 3.97 1.63 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.21 0.94 0.00 0.00 113 I 7.32 3.66 1.77 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 1.24 0.73 0.88 0.00 0.00 114 G 9.29 3.79 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 0.00 0.00 0.00 115 R 7.41 4.86 0.00 1.59 1.82 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.00 116 T 7.95 4.99 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 1.24 0.00 0.00 117 L 8.51 4.74 0.00 1.81 1.54 0.35 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.79 4.96 2.07 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 0.79 0.00 0.00 0.77 0.00 0.00 119 V 8.51 5.02 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 120 H 9.02 5.23 0.00 3.23 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.09 4.21 0.00 2.25 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 2.36 2.34 0.00 122 K 8.59 4.81 0.00 1.76 1.66 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.52 7.81 123 A 8.37 4.48 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.51 5.01 0.00 2.76 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 0.00 125 D 9.35 4.59 0.00 2.93 2.89 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 0.00 126 L 9.79 3.71 0.00 1.86 1.80 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.67 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.00 4.50 0.00 1.86 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.50 7.81 129 G 8.05 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 0.00 0.00 0.00 130 G 9.28 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 0.00 131 N 7.59 5.04 0.00 2.76 2.76 0.00 0.00 6.14 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 0.00 132 E 8.81 4.03 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 133 E 8.20 3.91 0.00 2.11 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 0.00 2.41 2.42 0.00 134 S 8.69 4.11 0.00 4.08 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 0.00 135 T 7.94 4.24 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 1.25 0.00 0.00 136 K 7.70 4.28 0.00 1.80 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.63 7.81 137 T 7.88 4.07 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 1.18 0.00 0.00 138 G 8.21 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 0.00 0.00 0.00 0.00 139 N 7.75 4.33 0.00 2.83 2.91 0.00 0.00 6.85 7.26 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 0.00 140 A 7.02 4.40 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 0.00 141 G 7.96 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 0.00 142 S 8.59 4.45 0.00 3.96 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 0.00 143 R 8.31 4.47 0.00 1.67 1.84 0.00 3.20 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 144 L 8.70 4.30 0.00 1.67 1.72 1.01 0.52 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 0.00 145 A 7.76 4.89 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 0.00 146 C 8.25 5.33 0.00 3.06 2.97 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 0.00 0.00 0.00 147 G 8.02 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.32 4.40 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 0.80 0.00 0.00 0.97 0.00 0.00 149 I 8.94 4.00 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.32 0.27 0.00 0.00 150 G 8.88 4.40 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 0.00 151 I 8.30 4.39 1.85 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 1.25 0.53 0.91 0.00 0.00 152 A 8.66 4.82 1.16 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 0.00 0.00 153 Q 8.51 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.