NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5208 8.1627 120.3613 55.9608 34.5189 177.1216 2 M 3.9371 8.1995 117.5330 58.0467 31.9828 176.1721 3 D 4.3841 8.3806 117.9564 57.5161 41.7734 177.0489 4 Y 4.1452 7.9645 119.5298 60.6955 38.8656 177.5831 5 L 3.7333 8.5035 120.3549 57.7911 41.4883 179.5610 6 I 3.7059 7.6674 118.9687 64.3352 37.1801 177.9131 7 T 4.3194 7.4301 108.0391 62.1252 69.6009 175.0381 8 Q 4.4305 7.6718 121.0910 55.6726 29.4789 174.5027 9 N 4.0509 8.0527 110.8333 54.8857 37.5999 174.5782 10 G 4.0524 8.1863 102.7326 44.7643 0.0000 175.0062 11 G 3.9424 7.9178 109.8468 47.3857 0.0000 175.2333 12 M 4.0705 8.1762 119.8850 58.8268 32.0539 178.5040 13 V 3.5078 7.6365 112.3826 64.4279 31.5810 178.5349 14 F 4.3734 7.8835 116.7927 60.3244 38.7419 177.6888 15 A 4.1083 8.0392 120.2622 54.8741 18.2718 179.7194 16 V 3.5156 8.0720 117.1724 66.1225 31.5722 178.0183 17 L 4.0231 8.1800 119.9065 57.9828 41.8663 178.8040 18 A 4.0980 8.2648 120.9095 55.5168 18.3762 179.4762 19 M 4.0133 8.1303 116.9553 58.4336 32.0129 178.8867 20 A 3.9713 8.1162 120.7957 55.4378 18.5125 179.7043 21 T 3.9940 8.3462 114.3434 66.9165 68.1540 176.6349 22 A 4.0916 8.1746 122.4737 55.4862 18.4216 179.8936 23 T 3.7854 7.9482 114.1100 66.8516 68.5455 177.1068 24 I 3.4933 8.0293 121.9183 64.5696 37.1852 178.7034 25 F 4.1561 7.7432 118.4701 60.2964 38.7338 178.1286 26 S 4.3203 7.8601 114.0342 61.3815 62.8291 176.8764 27 G 3.5730 8.1324 109.3757 47.4626 0.0000 175.8355 28 I 3.8003 8.2005 122.7513 64.0365 37.1298 178.6377 29 G 3.6399 8.0059 106.4984 47.9864 0.0000 175.9750 30 S 4.5472 8.3502 118.8040 60.6961 62.8419 176.4503 31 A 3.9565 8.3407 123.8796 55.2353 18.0301 179.9186 32 K 4.0055 8.3282 117.1044 59.4804 32.1335 180.0008 33 G 3.5445 8.1560 105.9944 47.8692 0.0000 176.0441 34 V 3.8551 8.4985 121.6301 65.3492 31.4288 178.4021 35 G 3.5329 8.3003 105.7116 48.0234 0.0000 175.3013 36 M 4.1627 8.3476 121.7853 58.6913 32.2000 178.4817 37 T 4.0448 8.0618 116.0010 66.4464 68.5063 177.0105 38 G 3.6592 8.3737 107.9645 47.7139 0.0000 175.5908 39 E 3.9688 8.4413 120.7584 59.2612 29.5112 179.3839 40 A 3.9976 7.9405 120.0733 55.0539 18.4258 179.5618 41 A 3.9587 8.5131 119.5958 55.1443 18.2657 179.6942 42 A 3.9501 8.4756 119.5264 55.2883 18.2516 179.6853 43 A 3.9564 7.7832 118.1633 55.2828 18.6746 179.3126 44 L 4.0649 8.0012 118.8576 58.6234 41.9162 179.3528 45 T 3.9798 8.0055 115.8065 66.3496 68.1025 176.6155 46 T 3.9854 7.6258 111.3370 63.7810 68.6975 175.0663 47 S 4.6387 7.5659 114.4515 58.5142 65.7835 174.3896 48 Q 4.7782 8.5859 118.9205 52.3117 28.6653 174.0048 49 P 4.5102 0.0000 0.0000 64.4338 31.8374 178.8529 50 E 4.1280 8.1804 117.1166 58.1828 30.0428 177.8391 51 K 4.5122 7.9726 118.9451 56.4300 32.6482 177.8558 52 F 4.3588 8.2421 123.6321 61.5243 39.2260 177.3360 53 G 3.4608 8.1258 104.5670 48.0413 0.0000 175.4913 54 Q 3.9588 7.9635 119.9406 58.3967 28.8226 178.4361 55 A 3.9506 8.0531 121.9505 54.9918 18.5182 179.4571 56 L 3.7300 7.8844 119.2321 58.1185 41.8386 179.1880 57 I 3.6184 7.2565 118.6896 64.4007 36.8531 178.0039 58 L 4.1021 7.7858 119.6948 57.9233 41.2317 179.4278 59 Q 3.9873 7.8992 118.3220 59.0639 29.1420 177.9882 60 L 4.1116 7.7702 119.6451 56.8619 41.7451 179.0128 61 L 3.9150 7.4586 118.7269 57.6368 41.7795 177.3871 62 P 5.1765 0.0000 0.0000 63.0208 30.3814 177.8633 63 G 3.8067 8.2293 106.5825 46.1152 0.0000 176.1230 64 T 3.7137 7.3397 111.3040 64.3843 68.7656 176.4759 65 Q 4.1474 8.0632 120.6928 59.1616 28.7774 179.4785 66 G 3.6533 8.3256 106.5279 47.5797 0.0000 175.8296 67 L 3.9996 7.1158 118.2451 57.8205 41.6294 178.9637 68 Y 4.3761 7.8612 117.0714 61.1934 37.7857 179.0956 69 G 4.2706 8.3528 107.9093 47.3630 0.0000 175.4549 70 F 4.1697 8.4390 123.2489 61.0251 39.3289 177.3788 71 V 3.7520 8.3449 117.8825 66.1295 31.3894 178.0250 72 I 3.7837 8.2523 119.3449 64.4578 36.9974 178.1754 73 A 3.9839 8.2357 121.6418 55.2755 18.1956 179.5172 74 F 3.9718 8.3014 119.2448 61.0828 39.1702 177.2334 75 L 3.9300 8.1142 119.6851 58.0013 42.1533 178.7468 76 I 3.5255 7.8316 119.8638 64.0429 37.1221 177.9069 77 F 3.9229 8.0355 121.7382 61.3284 39.0024 177.0639 78 I 3.5365 7.2057 109.7076 62.4028 37.3766 176.5753 79 N 4.7585 7.1190 117.1552 52.8754 38.8575 175.5901 80 L 3.7451 7.1968 122.4468 57.1995 42.2251 178.6869 81 G 3.8180 7.7281 105.7681 45.1499 0.0000 172.6241 82 S 4.5866 8.5809 110.7316 57.5003 64.9554 173.5026 83 D 5.0532 7.7490 118.3557 51.5339 43.7607 174.3053 84 M 4.7055 8.0985 123.1488 53.1222 35.4649 174.4802 85 S 4.3880 8.5673 121.1492 58.1135 65.3674 175.4554 86 V 3.7139 8.2739 122.1827 66.0486 31.3547 178.3148 87 V 3.4925 7.7685 117.6008 66.1615 31.3712 177.6541 88 Q 3.9130 8.1711 119.2378 58.9621 28.9126 178.1938 89 G 3.9790 8.3690 106.8709 48.2075 0.0000 175.6676 90 L 3.9679 8.2682 122.0346 57.3160 41.5408 179.3935 91 N 4.2639 8.1631 116.6393 56.2128 38.5269 177.4723 92 F 4.3254 8.1187 119.2886 60.3069 38.7653 177.4556 93 L 4.1748 8.0651 119.1365 58.2890 42.1625 178.8146 94 G 3.8380 8.4861 105.7972 47.9744 0.0000 175.3841 95 A 4.0812 8.1559 123.1188 54.7843 18.4898 179.6530 96 S 4.2754 8.0982 112.1450 60.8716 63.2816 176.7697 97 L 4.2025 7.7833 123.4324 57.3184 41.4232 177.3078 98 P 4.3587 0.0000 0.0000 65.9001 31.4039 178.5532 99 I 3.8883 8.0891 117.0030 63.7497 37.8886 177.6146 100 A 3.9644 8.0130 121.4752 55.2353 18.2313 179.2735 101 F 4.5992 8.2102 115.4837 59.6990 39.6723 178.6574 102 T 4.2581 8.4108 109.9537 64.5951 68.5706 176.9532 103 G 3.7076 8.3946 108.6197 47.5905 0.0000 175.1063 104 L 4.0219 8.0146 123.2767 58.2018 42.1338 179.2210 105 F 4.2418 8.5017 117.7217 60.3454 38.9383 178.0929 106 S 4.4688 8.7940 114.4721 61.1166 62.9532 176.7639 107 G 3.6627 8.3010 109.4415 47.7264 0.0000 175.7646 108 I 3.7104 7.6403 121.9679 64.0335 37.0491 178.4402 109 A 4.0604 8.1391 121.6122 55.2779 18.2574 179.5001 110 Q 4.0790 8.7988 118.7152 59.2055 29.0370 178.5553 111 G 3.6907 8.2291 106.9091 47.7592 0.0000 175.8408 112 K 4.0083 7.9972 120.3101 59.2069 31.9720 179.7059 113 V 3.6036 7.6958 118.5341 65.8724 31.4940 177.9931 114 A 3.9893 8.4433 120.7511 55.0658 18.0023 179.3781 115 A 3.9432 8.1192 118.3090 55.3879 18.8952 179.4174 116 A 4.1914 8.2056 119.3697 55.2435 18.4040 180.1111 117 G 3.6918 8.4320 104.3685 47.7652 0.0000 175.8972 118 I 3.7892 7.5695 121.7248 64.5487 37.0384 178.3816 119 Q 4.0434 8.0001 118.5433 58.6273 28.4215 178.5797 120 I 3.7270 7.7526 120.5878 64.3214 37.0280 177.8416 121 L 3.8715 7.7305 119.5523 58.1121 41.9310 178.5168 122 A 4.2822 7.9510 119.5822 55.0101 18.4458 178.9636 123 K 4.3617 7.9458 114.6088 56.9089 34.5662 177.4704 124 K 4.7242 8.6362 117.9866 53.7610 32.6103 175.1349 125 P 4.2908 0.0000 0.0000 65.7949 31.7145 178.8522 126 E 4.1656 8.1530 116.0601 58.0556 29.7934 176.7356 127 H 4.8112 8.4250 116.2542 55.3396 29.4508 175.8589 128 A 4.0460 7.8422 125.1184 55.7668 17.9936 180.6547 129 T 3.8185 7.9254 113.6356 66.6784 68.4592 176.6470 130 K 3.7873 8.1452 120.7205 59.2084 32.0854 179.5478 131 G 3.7321 7.9057 105.7725 47.7707 0.0000 175.7295 132 I 3.7158 7.6889 121.7525 64.2401 37.2641 178.4027 133 I 3.6381 7.6510 120.3814 64.3418 36.6961 178.2811 134 F 4.4917 7.5680 117.0360 60.9385 39.0884 177.4255 135 A 4.2121 8.1939 119.7273 55.0772 18.1720 179.5392 136 A 4.0523 8.5361 119.6351 55.3912 18.1589 179.6873 137 M 4.1449 7.8364 116.1058 58.2438 32.1828 178.5549 138 V 4.0610 7.8553 117.9984 65.2832 31.7163 177.3708 139 E 4.0064 8.1547 119.5350 59.5342 29.2418 178.6542 140 T 3.6298 7.7851 115.2990 67.1604 68.5177 175.5718 141 Y 4.1382 7.2535 117.3868 60.5639 37.8148 178.0525 142 A 4.1845 8.0800 121.6041 55.2017 18.5484 179.5548 143 I 3.3552 7.8080 118.3380 64.4120 37.1534 178.6719 144 L 4.0872 8.2214 120.1787 57.7285 41.4157 179.8527 145 G 4.0182 8.0995 106.7632 47.1897 0.0000 175.4834 146 F 4.2178 8.5191 123.4394 61.0566 39.3426 177.4090 147 V 3.3816 8.0525 117.9592 65.9944 31.3692 178.0204 148 I 3.7003 7.7534 119.5015 64.5045 36.8751 178.5148 149 S 4.4031 8.1429 117.3063 60.9401 62.8013 176.4725 150 F 3.7551 8.2834 123.5521 61.3446 38.8303 177.1792 151 L 4.0808 8.1856 118.5555 57.8730 41.1778 179.6034 152 L 3.9655 7.8356 118.0458 57.4771 41.6895 179.3756 153 V 3.8116 8.0325 118.6460 66.1176 31.3185 178.2141 154 L 3.9448 7.4318 116.8135 57.0686 41.4693 178.0991 155 N 4.5297 7.4109 114.5724 53.9275 39.2468 174.5134 156 A 3.8003 7.2326 127.3195 52.7557 18.2386 177.0236 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 8.16 4.52 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 2 M 8.20 3.94 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 3 D 8.38 4.38 0.00 2.80 2.72 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 4 Y 7.96 4.15 0.00 3.10 3.14 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 0.00 5 L 8.50 3.73 0.00 1.91 1.74 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.67 3.71 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.58 0.92 0.00 0.00 7 T 7.43 4.32 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 8 Q 7.67 4.43 0.00 1.22 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.47 0.00 9 N 8.05 4.05 0.00 2.84 2.74 0.00 0.00 6.87 8.29 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 10 G 8.19 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 0.00 0.00 0.00 11 G 7.92 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 12 M 8.18 4.07 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 13 V 7.64 3.51 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 0.67 0.00 0.00 0.23 0.00 0.00 14 F 7.88 4.37 0.00 3.33 3.19 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 15 A 8.04 4.11 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 16 V 8.07 3.52 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 0.99 0.00 0.00 0.99 0.00 0.00 17 L 8.18 4.02 0.00 1.99 1.97 1.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.26 4.10 1.57 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 19 M 8.13 4.01 0.00 2.08 2.27 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 2.70 2.73 0.00 20 A 8.12 3.97 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 21 T 8.35 3.99 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 1.43 0.00 0.00 22 A 8.17 4.09 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 23 T 7.95 3.79 4.38 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 1.29 0.00 0.00 24 I 8.03 3.49 1.47 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.21 0.00 0.00 25 F 7.74 4.16 0.00 2.80 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 26 S 7.86 4.32 0.00 4.17 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 0.00 27 G 8.13 3.57 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 28 I 8.20 3.80 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.88 0.00 0.00 29 G 8.01 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.35 4.55 0.00 3.86 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 31 A 8.34 3.96 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 32 K 8.33 4.01 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 33 G 8.16 3.54 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 0.00 0.00 0.00 34 V 8.50 3.86 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 1.04 0.00 0.00 0.93 0.00 0.00 35 G 8.30 3.53 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 36 M 8.35 4.16 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.06 4.04 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 1.24 0.00 0.00 38 G 8.37 3.66 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 39 E 8.44 3.97 0.00 2.21 2.02 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 2.33 2.52 0.00 40 A 7.94 4.00 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 41 A 8.51 3.96 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 42 A 8.48 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 43 A 7.78 3.96 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 44 L 8.00 4.06 0.00 1.81 1.87 0.98 0.94 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 45 T 8.01 3.98 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 1.22 0.00 0.00 46 T 7.63 3.99 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 47 S 7.57 4.64 0.00 3.98 3.98 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 48 Q 8.59 4.78 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 49 P 0.00 4.51 0.00 2.18 2.28 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.18 4.13 0.00 2.16 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 0.00 2.38 2.29 0.00 51 K 7.97 4.51 0.00 2.04 1.88 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.38 7.81 52 F 8.24 4.36 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 53 G 8.13 3.46 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 54 Q 7.96 3.96 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 55 A 8.05 3.95 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 56 L 7.88 3.73 0.00 1.12 1.42 0.82 0.63 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 57 I 7.26 3.62 1.95 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 1.45 0.65 0.86 0.00 0.00 58 L 7.79 4.10 0.00 1.86 1.71 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.90 3.99 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 60 L 7.77 4.11 0.00 1.86 1.63 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.46 3.92 0.00 1.94 1.74 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.18 0.00 2.18 2.23 0.00 3.94 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 63 G 8.23 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 64 T 7.34 3.71 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 65 Q 8.06 4.15 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.77 2.68 0.00 66 G 8.33 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 0.00 0.00 0.00 67 L 7.12 4.00 0.00 1.55 1.60 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.86 4.38 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.35 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 70 F 8.44 4.17 0.00 3.27 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 71 V 8.34 3.75 2.64 0.00 0.00 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 0.00 0.00 1.22 0.00 0.00 72 I 8.25 3.78 2.19 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.93 0.99 0.00 0.00 73 A 8.24 3.98 1.31 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 74 F 8.30 3.97 0.00 2.71 3.08 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 75 L 8.11 3.93 0.00 1.84 1.84 0.81 0.63 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 76 I 7.83 3.53 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.33 0.00 0.00 77 F 8.04 3.92 0.00 3.01 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 78 I 7.21 3.54 1.66 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.53 0.37 0.00 0.00 79 N 7.12 4.76 0.00 2.78 2.90 0.00 0.00 6.98 7.77 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 80 L 7.20 3.75 0.00 1.36 1.50 0.81 0.44 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 81 G 7.73 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 0.00 0.00 0.00 82 S 8.58 4.59 0.00 3.90 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 83 D 7.75 5.05 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.10 4.71 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.64 0.00 85 S 8.57 4.39 0.00 4.09 3.98 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 86 V 8.27 3.71 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 1.08 0.00 0.00 1.11 0.00 0.00 87 V 7.77 3.49 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 0.92 0.00 0.00 0.89 0.00 0.00 88 Q 8.17 3.91 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.10 0.00 89 G 8.37 3.98 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 0.00 0.00 0.00 90 L 8.27 3.97 0.00 1.68 1.57 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.16 4.26 0.00 2.66 2.60 0.00 0.00 6.96 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 92 F 8.12 4.33 0.00 3.37 3.03 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 93 L 8.07 4.17 0.00 1.95 1.95 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.49 3.84 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 0.00 0.00 0.00 95 A 8.16 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.28 0.00 4.28 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 97 L 7.78 4.20 0.00 1.78 1.98 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.36 2.18 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.09 3.89 2.07 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.47 1.11 0.00 0.00 100 A 8.01 3.96 1.22 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 0.00 101 F 8.21 4.60 0.00 3.29 3.29 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 0.00 102 T 8.41 4.26 4.56 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 0.00 0.00 0.00 1.40 0.00 0.00 103 G 8.39 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 0.00 104 L 8.01 4.02 0.00 2.05 1.89 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.50 4.24 0.00 3.43 3.16 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 0.00 106 S 8.79 4.47 0.00 4.23 4.35 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 0.00 107 G 8.30 3.66 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 0.00 108 I 7.64 3.71 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.94 0.00 0.00 109 A 8.14 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.08 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 111 G 8.23 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 0.00 112 K 8.00 4.01 0.00 2.03 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 113 V 7.70 3.60 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 1.20 0.00 0.00 1.05 0.00 0.00 114 A 8.44 3.99 1.43 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 0.00 115 A 8.12 3.94 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 0.00 116 A 8.21 4.19 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 0.00 117 G 8.43 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 0.00 118 I 7.57 3.79 2.07 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 1.74 0.83 0.95 0.00 0.00 119 Q 8.00 4.04 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 120 I 7.75 3.73 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 0.97 0.00 0.00 121 L 7.73 3.87 0.00 1.65 1.95 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.95 4.28 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 0.00 123 K 7.95 4.36 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.62 7.81 124 K 8.64 4.72 0.00 1.73 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.29 0.00 2.22 2.44 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 126 E 8.15 4.17 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 2.28 2.31 0.00 127 H 8.42 4.81 0.00 3.29 3.25 0.00 5.63 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 0.00 128 A 7.84 4.05 1.31 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 0.00 129 T 7.93 3.82 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 1.16 0.00 0.00 130 K 8.15 3.79 0.00 1.90 1.55 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.40 7.81 131 G 7.91 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 0.00 0.00 0.00 132 I 7.69 3.72 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.64 0.88 0.00 0.00 133 I 7.65 3.64 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 0.79 0.00 0.00 134 F 7.57 4.49 0.00 3.21 3.03 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 0.00 135 A 8.19 4.21 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 0.00 136 A 8.54 4.05 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 0.00 137 M 7.84 4.14 0.00 2.15 2.41 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 2.76 3.03 0.00 138 V 7.86 4.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.04 0.00 0.00 139 E 8.15 4.01 0.00 2.19 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 0.00 2.36 2.48 0.00 140 T 7.79 3.63 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 0.78 0.00 0.00 141 Y 7.25 4.14 0.00 3.24 3.15 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 0.00 142 A 8.08 4.18 1.57 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 0.00 143 I 7.81 3.36 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.83 0.00 0.00 144 L 8.22 4.09 0.00 1.75 1.77 1.00 1.01 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 0.00 145 G 8.10 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 0.00 146 F 8.52 4.22 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.05 3.38 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 1.02 0.00 0.00 0.94 0.00 0.00 148 I 7.75 3.70 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.03 0.93 0.00 0.00 149 S 8.14 4.40 0.00 4.09 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 0.00 150 F 8.28 3.76 0.00 2.59 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 0.00 151 L 8.19 4.08 0.00 1.90 1.72 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.84 3.97 0.00 1.82 1.69 0.93 0.69 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 0.00 153 V 8.03 3.81 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 1.09 0.00 0.00 1.01 0.00 0.00 154 L 7.43 3.94 0.00 1.75 1.64 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.41 4.53 0.00 2.74 2.73 0.00 0.00 7.15 7.72 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 0.00 156 A 7.23 3.80 0.13 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