NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3338 8.2649 123.5803 52.1430 20.2018 178.2392 3 R 3.9766 8.1570 122.1841 59.8226 32.2689 177.5243 4 R 4.3094 8.3539 115.2951 56.5619 30.8094 179.7460 5 R 4.3247 8.8052 123.2194 56.7070 29.8261 176.0140 6 R 4.2704 9.0404 107.2782 57.5666 30.9758 174.4602 7 A 3.3644 8.2374 113.8810 53.1962 16.5448 176.7534 8 E 4.3172 8.5005 123.9978 54.4800 29.5728 176.2856 9 V 3.4901 8.4372 123.5055 63.1319 31.7678 176.1247 10 R 3.9278 8.5801 125.9390 56.5071 30.4774 175.8571 11 Q 4.4843 8.4669 122.5299 54.0395 30.2621 174.8087 12 L 4.4193 8.2464 125.9692 54.4204 41.8930 176.7973 13 Q 4.1091 8.5099 120.1828 55.3747 29.2286 174.8416 14 P 4.4568 0.0000 0.0000 62.1437 32.0321 175.4671 15 D 4.5282 8.8311 118.5659 53.9171 41.5957 176.7236 16 L 4.1333 8.8061 125.8912 57.7403 41.4625 177.8051 17 V 3.8300 7.2236 116.8208 63.7589 31.1652 176.4966 18 Y 3.8525 8.3487 118.8728 59.3896 39.2003 178.3049 19 G 4.6074 8.6207 115.6371 46.8135 0.0000 171.9398 20 D 4.6269 7.7759 121.3115 54.1454 41.7135 177.8178 21 V 3.5128 8.5015 119.3466 64.3275 31.8262 177.7134 22 L 4.1775 8.7308 119.0254 56.5380 42.1586 177.6876 23 V 3.8588 8.0904 117.0200 65.9184 31.8394 177.3978 24 T 3.6701 7.0349 113.3545 67.1455 68.3196 175.4241 25 A 3.9251 8.1580 121.1822 55.5417 18.1193 178.8474 26 F 4.0991 8.2857 116.8666 61.5889 39.3582 177.6105 27 I 3.3718 7.3387 118.8785 64.6284 36.7200 177.9221 28 N 4.0945 8.1391 115.9775 56.4670 38.3868 177.3634 29 K 4.0287 7.6513 118.8411 59.2919 32.2103 179.0455 30 I 3.5768 7.2064 119.1421 63.6594 37.4871 176.5679 31 M 3.9560 7.5775 118.2846 56.2634 32.5854 175.0625 32 R 4.4964 8.1719 118.6335 55.6629 32.4117 176.1303 33 D 3.7469 9.8470 115.2464 54.9381 39.8201 175.2267 34 G 4.0174 8.7891 106.4634 45.0531 0.0000 175.1123 35 K 4.2545 7.6997 119.6416 56.2589 30.0899 177.0683 36 K 4.0279 8.2019 124.8246 59.4060 32.4794 176.3261 37 N 4.4058 8.3571 117.7311 55.0284 38.6040 175.8891 38 L 3.8386 7.8820 120.2274 58.5938 42.2776 179.0255 39 A 3.8898 7.5780 117.9307 55.2055 18.4257 178.7573 40 A 3.8852 8.6474 119.2573 56.1028 18.3799 179.0560 41 R 3.7624 8.6523 115.7706 60.0905 29.5823 178.5342 42 I 3.6222 8.3895 118.8659 64.5334 37.2118 177.9586 43 F 4.2965 7.6596 119.9995 61.2901 39.2534 176.4351 44 Y 4.5110 8.4975 116.9727 60.9441 36.9182 177.3953 45 D 4.2963 8.2129 118.2347 56.2052 40.7601 177.4476 46 A 4.1596 7.4023 118.6961 53.0578 19.3217 178.1879 47 C 4.2472 8.4295 116.0052 61.7332 28.8330 175.8992 48 K 4.0355 8.1339 118.2530 59.7552 31.7306 178.5252 49 I 4.0320 7.3190 119.7246 63.6040 36.9574 178.0720 50 I 3.7461 8.1457 121.3324 63.7684 36.5569 177.0808 51 Q 4.7808 7.7679 116.3675 55.7749 28.8079 175.3783 52 E 4.6724 8.3872 116.2529 55.8363 30.7959 176.5973 53 K 4.6543 7.8989 112.4869 57.8113 35.6029 175.4303 54 T 4.6629 7.4081 114.8310 62.5242 72.7977 174.1821 55 G 3.7447 8.7418 113.0693 48.3314 0.0000 174.4795 56 Q 3.8668 7.9688 117.9468 55.2860 29.7668 177.2609 57 E 4.1071 8.8819 121.1729 55.7450 30.3424 176.6933 58 P 4.2937 0.0000 0.0000 65.8423 33.3504 178.4209 59 L 4.1917 9.0697 118.9629 55.6881 41.1023 180.8752 60 K 4.6896 8.9071 116.9345 58.3550 34.6681 174.4060 61 V 3.5589 7.1472 116.3974 66.0978 31.2877 178.0431 62 F 4.0732 9.0751 121.1700 61.2747 39.3963 177.3622 63 K 3.8456 8.1942 117.6147 59.5588 31.6861 178.8423 64 Q 3.8236 8.8660 119.9387 58.9450 28.8883 177.5561 65 A 3.8954 7.8058 121.0525 55.4344 18.6632 179.5905 66 V 3.4870 7.4392 116.1747 66.1073 30.0673 177.5791 67 E 3.9456 7.8825 119.0691 59.5587 29.1800 177.8846 68 N 4.0724 8.1854 113.0866 54.0585 38.7798 175.6036 69 V 4.1811 7.9719 120.0677 63.1314 33.6714 174.4345 70 K 3.8662 7.3718 117.7836 55.6440 31.7164 174.6758 71 P 4.7313 0.0000 0.0000 62.9523 31.8759 176.3605 72 R 4.6312 8.8206 115.5256 55.6553 30.3602 175.7116 73 M 4.5486 7.5511 114.5523 55.3056 35.0710 173.3911 74 E 4.9747 8.3857 122.2545 54.4819 33.6050 174.9119 75 V 4.6353 8.1031 119.6623 61.2484 34.4156 174.9832 76 R 4.8278 8.1432 125.0620 55.8799 33.5619 177.7061 77 S 4.7743 8.3155 106.7087 56.9885 65.1484 173.3839 78 R 5.1386 7.7384 131.0605 56.6214 32.0874 174.1487 79 R 5.0951 7.9181 123.6218 55.2250 30.9144 174.1983 80 V 3.7812 7.9446 116.9484 67.3678 30.8396 173.3688 81 G 3.6296 8.9977 121.3717 43.7431 0.0000 173.7457 82 G 4.3437 6.7043 116.9324 45.4787 0.0000 175.6548 83 A 4.3394 6.6306 124.8766 50.3917 21.8306 175.9716 84 N 4.9361 8.1546 114.0683 52.2468 38.3726 175.0066 85 Y 4.3595 8.5728 122.3649 58.2151 39.3663 177.0207 86 Q 4.5856 8.7505 118.4501 54.7711 30.0126 173.5043 87 V 4.1401 8.0416 122.8923 60.9155 33.4031 172.7471 88 P 4.9173 0.0000 0.0000 62.7811 32.3162 175.3331 89 M 4.5975 9.0186 119.4481 53.2554 34.7264 173.4157 90 E 4.2065 9.0429 122.1485 56.4165 29.4675 176.1657 91 V 3.6670 8.3890 123.3327 63.0672 32.0592 175.9562 92 S 4.3260 8.9256 121.9791 57.8152 63.7722 173.4018 93 P 4.3441 0.0000 0.0000 66.2934 30.7042 178.2980 94 R 3.8112 7.9528 117.2010 58.9562 29.7327 177.6795 95 R 3.9249 8.0094 117.8779 59.8880 29.9580 178.1812 96 Q 3.8126 7.9542 119.0967 59.3556 29.0562 178.9956 97 Q 4.0982 7.9404 118.0523 57.7539 29.2920 177.3008 98 S 4.4042 8.9687 116.3815 61.4148 63.7163 176.1948 99 L 3.3380 7.5942 120.5829 57.8820 41.1038 178.1418 100 A 4.1271 7.8452 121.4930 53.3409 17.8519 179.0661 101 L 4.0838 7.9769 115.0638 58.1121 42.3642 178.9773 102 R 3.8131 8.2492 117.6974 59.1539 29.7052 178.0120 103 W 4.7957 8.3253 117.8576 60.9597 29.4932 177.5896 104 L 3.9739 8.5629 116.3259 58.5835 40.7238 179.2652 105 V 3.7168 7.8406 121.8967 66.7278 31.9700 178.0092 106 Q 4.1941 8.4041 116.8231 59.3125 28.9912 178.8558 107 A 4.3320 8.4130 120.8779 54.3511 18.5716 179.3389 108 A 4.3812 8.2019 114.9442 52.8926 18.2034 177.6716 109 N 5.0970 8.6344 116.8704 54.1807 40.1963 175.8013 110 Q 4.4161 8.2555 117.3983 56.9028 31.5684 176.7974 111 R 3.9210 8.1204 117.1525 55.9656 30.2775 175.4322 112 P 4.1947 0.0000 0.0000 65.2297 31.3879 176.4335 113 E 3.9035 7.8589 118.8574 57.2152 29.6262 178.1791 114 R 4.0403 8.6287 119.6718 56.6610 29.9779 176.2258 115 R 4.4718 8.2058 118.9186 53.5839 32.9019 174.6762 116 A 3.8377 8.5656 126.5446 56.0470 18.3306 179.0394 117 A 3.9759 8.0746 116.9290 56.0381 18.4762 179.0326 118 V 3.5778 8.0439 116.5169 64.6743 31.4148 178.2043 119 R 3.9066 8.4099 117.0741 59.7975 30.2949 178.5750 120 I 3.8583 8.0886 119.2968 64.0653 37.1393 177.9006 121 A 4.0081 8.0740 120.7605 56.3061 18.1568 178.9258 122 H 4.1798 8.2778 114.1749 59.0607 28.6934 177.1685 123 E 3.9296 8.3070 120.5814 59.6648 29.2774 179.1581 124 L 4.0407 7.7355 117.4627 58.3087 42.0621 179.2262 125 M 4.1898 8.1764 118.0570 58.6216 31.9999 178.2708 126 D 4.3969 9.0295 119.8477 57.6985 41.0221 179.1868 127 A 4.1314 8.9452 122.4372 54.5933 18.1691 179.3654 128 A 3.9272 7.8002 119.0904 55.4557 18.4735 178.2713 129 E 4.1773 8.0265 111.9084 56.6099 29.7504 177.5018 130 G 3.9432 8.5907 108.2749 45.0191 0.0000 173.4224 131 K 4.5670 8.1057 118.5567 55.0005 35.5623 174.6828 132 G 4.2735 8.8985 105.9193 43.6379 0.0000 175.3865 133 G 3.7112 8.9953 107.9386 47.7192 0.0000 175.5078 134 A 4.0162 8.4960 122.7445 55.3046 18.6828 179.5409 135 V 3.6167 7.7268 115.4148 65.7491 31.5957 178.2755 136 K 3.9055 7.8728 118.4392 59.3667 31.6574 180.0078 137 K 4.0716 7.7722 114.5996 56.9839 31.8169 176.9888 138 K 3.9272 8.1212 118.7501 57.8382 34.3463 177.4908 139 E 4.1909 8.7549 118.4905 57.9194 29.4587 177.4369 140 D 4.7190 7.6496 117.5677 54.6601 43.0002 178.4273 141 V 3.7605 8.3805 119.7230 65.8536 31.6868 177.8912 142 E 4.6438 8.0390 118.8427 58.5225 28.9925 178.9114 143 R 3.8524 7.9671 118.0378 59.8109 30.2123 177.2097 144 M 4.0760 8.1701 117.9920 58.1828 32.2112 176.9409 145 A 4.2316 7.7364 119.9023 52.6015 19.0292 176.5261 146 E 3.7675 8.8230 116.2682 57.0316 27.2153 175.5332 147 A 4.5778 7.8510 120.5157 51.9508 21.0616 177.3578 148 N 4.6461 7.7675 109.7663 52.4984 40.2372 175.7042 149 R 3.7836 7.9742 118.3487 57.7002 30.8429 177.0515 150 A 3.8713 7.3867 120.5096 54.8773 17.7462 178.7005 151 Y 4.3069 7.3243 117.4081 55.5923 38.1394 177.0916 152 A 4.3242 7.5342 120.3059 53.2102 19.4726 178.8138 153 H 4.4712 7.8642 112.6663 58.1801 28.8940 176.3381 154 Y 4.1695 7.8926 118.2976 62.0782 38.4012 177.4165 155 R 3.2801 8.4736 116.1588 58.5079 27.2805 176.1861 156 W 4.6700 8.1279 124.5539 57.5440 29.3299 175.1159 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 A 8.26 4.33 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.16 3.98 0.00 1.88 1.99 0.00 3.20 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 4 R 8.35 4.31 0.00 1.79 1.41 0.00 3.22 0.00 0.00 3.14 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 5 R 8.81 4.32 0.00 1.76 0.96 0.00 3.27 0.00 0.00 3.15 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 6 R 9.04 4.27 0.00 1.74 1.80 0.00 3.39 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 7 A 8.24 3.36 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 8 E 8.50 4.32 0.00 1.96 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 0.00 2.25 2.28 0.00 9 V 8.44 3.49 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 0.79 0.00 0.00 0.93 0.00 0.00 10 R 8.58 3.93 0.00 1.83 1.85 0.00 3.19 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 11 Q 8.47 4.48 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 12 L 8.25 4.42 0.00 1.76 1.63 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.51 4.11 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 14 P 0.00 4.46 0.00 2.29 2.09 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 15 D 8.83 4.53 0.00 2.88 2.85 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 16 L 8.81 4.13 0.00 1.87 1.83 0.95 0.92 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 17 V 7.22 3.83 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.77 0.00 0.00 18 Y 8.35 3.85 0.00 3.29 3.01 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 19 G 8.62 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.78 4.63 0.00 2.77 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 21 V 8.50 3.51 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 0.74 0.00 0.00 0.95 0.00 0.00 22 L 8.73 4.18 0.00 1.63 1.91 0.98 1.03 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 23 V 8.09 3.86 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 0.38 0.00 0.00 0.92 0.00 0.00 24 T 7.03 3.67 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 1.16 0.00 0.00 25 A 8.16 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.29 4.10 0.00 3.42 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 27 I 7.34 3.37 1.84 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.45 0.73 0.00 0.00 28 N 8.14 4.09 0.00 2.73 2.84 0.00 0.00 7.18 7.39 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 29 K 7.65 4.03 0.00 1.69 1.69 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.59 7.81 30 I 7.21 3.58 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.01 0.82 0.00 0.00 31 M 7.58 3.96 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 32 R 8.17 4.50 0.00 1.96 1.94 0.00 3.15 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 33 D 9.85 3.75 0.00 2.83 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 34 G 8.79 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.70 4.25 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.41 7.81 36 K 8.20 4.03 0.00 1.79 1.77 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 37 N 8.36 4.41 0.00 2.83 2.67 0.00 0.00 6.82 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 38 L 7.88 3.84 0.00 1.78 1.68 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.58 3.89 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 40 A 8.65 3.89 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 41 R 8.65 3.76 0.00 1.87 2.16 0.00 3.15 0.00 0.00 3.19 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 42 I 8.39 3.62 1.98 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 1.20 0.95 0.00 0.00 43 F 7.66 4.30 0.00 2.78 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 44 Y 8.50 4.51 0.00 3.21 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 45 D 8.21 4.30 0.00 2.71 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 46 A 7.40 4.16 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 47 C 8.43 4.25 0.00 3.12 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 48 K 8.13 4.04 0.00 1.72 1.91 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.78 7.81 49 I 7.32 4.03 1.86 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 1.52 0.90 0.92 0.00 0.00 50 I 8.15 3.75 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.06 0.93 0.00 0.00 51 Q 7.77 4.78 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 52 E 8.39 4.67 0.00 1.85 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 2.21 2.24 0.00 53 K 7.90 4.65 0.00 1.75 1.75 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.47 7.81 54 T 7.41 4.66 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 1.25 0.00 0.00 55 G 8.74 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 56 Q 7.97 3.87 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 57 E 8.88 4.11 0.00 2.08 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 2.43 2.36 0.00 58 P 0.00 4.29 0.00 2.45 2.27 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.99 0.00 59 L 9.07 4.19 0.00 2.15 1.30 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.91 4.69 0.00 1.97 1.99 0.00 1.84 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.57 7.81 61 V 7.15 3.56 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 0.96 0.00 0.00 1.04 0.00 0.00 62 F 9.08 4.07 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 63 K 8.19 3.85 0.00 2.04 1.87 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.64 7.81 64 Q 8.87 3.82 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 65 A 7.81 3.90 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 66 V 7.44 3.49 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 0.70 0.00 0.00 0.24 0.00 0.00 67 E 7.88 3.95 0.00 2.30 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 0.00 2.30 2.41 0.00 68 N 8.19 4.07 0.00 2.71 2.83 0.00 0.00 6.80 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.97 4.18 2.25 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 1.08 0.00 0.00 1.03 0.00 0.00 70 K 7.37 3.87 0.00 1.79 1.84 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.54 7.81 71 P 0.00 4.73 0.00 2.41 2.60 0.00 3.92 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 72 R 8.82 4.63 0.00 1.88 1.99 0.00 3.37 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 73 M 7.55 4.55 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 74 E 8.39 4.97 0.00 2.07 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 0.00 2.20 2.23 0.00 75 V 8.10 4.64 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 0.89 0.00 0.00 0.93 0.00 0.00 76 R 8.14 4.83 0.00 1.78 0.94 0.00 3.47 0.00 0.00 3.50 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 77 S 8.32 4.77 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 78 R 7.74 5.14 0.00 2.28 2.11 0.00 3.59 0.00 0.00 3.47 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 79 R 7.92 5.10 0.00 1.89 1.89 0.00 3.28 0.00 0.00 3.22 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 80 V 7.94 3.78 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 0.78 0.00 0.00 0.94 0.00 0.00 81 G 9.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 6.70 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 0.00 0.00 0.00 0.00 83 A 6.63 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.15 4.94 0.00 2.58 2.82 0.00 0.00 6.80 7.46 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 85 Y 8.57 4.36 0.00 3.23 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.75 4.59 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 87 V 8.04 4.14 1.84 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 0.83 0.00 0.00 0.98 0.00 0.00 88 P 0.00 4.92 0.00 2.03 1.95 0.00 3.62 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 1.86 1.84 0.00 89 M 9.02 4.60 0.00 1.60 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 90 E 9.04 4.21 0.00 1.87 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 2.30 2.30 0.00 91 V 8.39 3.67 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 0.80 0.00 0.00 1.02 0.00 0.00 92 S 8.93 4.33 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.34 0.00 2.28 2.35 0.00 3.72 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 2.08 2.03 0.00 94 R 7.95 3.81 0.00 1.80 2.01 0.00 3.28 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 95 R 8.01 3.92 0.00 1.93 1.89 0.00 3.18 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 96 Q 7.95 3.81 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.76 0.00 97 Q 7.94 4.10 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 98 S 8.97 4.40 0.00 3.95 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 99 L 7.59 3.34 0.00 1.02 0.13 0.70 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.85 4.13 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 0.00 101 L 7.98 4.08 0.00 1.76 2.04 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.25 3.81 0.00 1.74 1.71 0.00 2.98 0.00 0.00 3.15 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 103 W 8.33 4.80 0.00 3.77 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 0.00 104 L 8.56 3.97 0.00 2.36 2.00 0.78 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.84 3.72 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 0.77 0.00 0.00 0.53 0.00 0.00 106 Q 8.40 4.19 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.59 2.74 0.00 107 A 8.41 4.33 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 4.38 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.63 5.10 0.00 2.85 2.78 0.00 0.00 6.65 7.73 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 0.00 110 Q 8.26 4.42 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.60 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 111 R 8.12 3.92 0.00 1.92 2.15 0.00 3.35 0.00 0.00 3.56 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 112 P 0.00 4.19 0.00 2.18 2.23 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 113 E 7.86 3.90 0.00 2.02 1.99 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 2.39 2.51 0.00 114 R 8.63 4.04 0.00 1.81 1.96 0.00 3.19 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 115 R 8.21 4.47 0.00 1.80 1.71 0.00 3.14 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 116 A 8.57 3.84 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.07 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.04 3.58 2.27 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 0.90 0.00 0.00 0.91 0.00 0.00 119 R 8.41 3.91 0.00 2.09 2.22 0.00 3.21 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 120 I 8.09 3.86 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 1.26 0.00 0.00 121 A 8.07 4.01 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 0.00 122 H 8.28 4.18 0.00 3.41 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.31 3.93 0.00 2.11 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 0.00 2.42 2.50 0.00 124 L 7.74 4.04 0.00 1.97 1.77 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.18 4.19 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.61 0.00 126 D 9.03 4.40 0.00 2.77 2.98 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 0.00 0.00 0.00 127 A 8.95 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.80 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.03 4.18 0.00 2.09 1.99 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 2.30 2.45 0.00 130 G 8.59 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 0.00 131 K 8.11 4.57 0.00 1.90 1.88 0.00 1.28 0.00 0.00 1.64 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.46 7.81 132 G 8.90 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 0.00 0.00 0.00 0.00 133 G 9.00 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.50 4.02 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 0.00 135 V 7.73 3.62 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 1.13 0.00 0.00 0.92 0.00 0.00 136 K 7.87 3.91 0.00 1.91 1.74 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.59 7.81 137 K 7.77 4.07 0.00 0.95 1.02 0.00 1.51 0.00 0.00 1.46 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.42 7.81 138 K 8.12 3.93 0.00 1.38 1.68 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.73 7.81 139 E 8.75 4.19 0.00 1.91 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 2.31 2.41 0.00 140 D 7.65 4.72 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 3.76 2.12 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 1.21 0.00 0.00 0.71 0.00 0.00 142 E 8.04 4.64 0.00 2.03 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 2.57 2.25 0.00 143 R 7.97 3.85 0.00 1.94 2.14 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 144 M 8.17 4.08 0.00 2.08 2.23 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 2.62 2.69 0.00 145 A 7.74 4.23 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 0.00 146 E 8.82 3.77 0.00 2.08 1.99 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 2.18 2.20 0.00 147 A 7.85 4.58 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 0.00 148 N 7.77 4.65 0.00 2.61 2.60 0.00 0.00 6.78 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 0.00 149 R 7.97 3.78 0.00 1.74 1.84 0.00 3.30 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 150 A 7.39 3.87 0.92 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 0.00 151 Y 7.32 4.31 0.00 2.62 3.01 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 0.00 152 A 7.53 4.32 1.18 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 0.00 0.00 153 H 7.86 4.47 0.00 3.31 3.38 0.00 5.53 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.89 4.17 0.00 2.88 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 0.00 155 R 8.47 3.28 0.00 1.85 2.29 0.00 3.42 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 156 W 8.13 4.67 0.00 3.35 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