NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4678 8.1633 120.3497 55.6907 34.1378 178.3841 2 N 4.6043 8.1876 116.9342 50.9997 38.1671 173.6201 3 R 5.2829 9.1123 123.2113 55.1854 34.3144 174.0462 4 G 3.8067 7.5916 108.6496 48.0134 0.0000 172.9380 5 A 4.0777 7.9446 122.1012 55.1584 18.5692 179.2800 6 L 3.9443 7.8856 118.1093 58.3688 42.0234 178.8333 7 I 3.7529 7.8026 119.2418 63.7060 37.2110 177.3037 8 K 5.2550 7.4109 118.6486 57.2700 33.8559 178.3073 9 L 3.9369 8.2641 120.5645 57.5003 41.1985 179.5211 10 V 3.6440 7.5602 117.8134 65.8192 31.0000 177.5578 11 E 4.1844 8.8544 118.5312 58.5073 29.6162 178.0073 12 S 4.0470 7.5860 116.5292 58.2151 61.9795 174.6285 13 R 4.3112 7.8536 113.4775 56.3678 29.7172 176.4003 14 Y 4.3532 6.7877 110.8703 57.9761 38.6129 176.3380 15 V 3.9584 7.2346 113.3963 61.1407 32.4403 175.3314 16 R 4.7463 7.6691 119.1766 54.8755 33.1907 175.7353 17 T 4.5258 8.0440 111.6884 62.2296 69.5272 174.8607 18 D 4.5216 8.4603 120.1223 56.1600 39.2861 177.2623 19 L 4.0404 7.8696 117.9328 54.1332 42.0980 175.3785 20 P 4.5282 0.0000 0.0000 62.3778 32.1108 175.5956 21 E 4.3954 8.4585 120.0235 55.2458 30.5799 176.1166 22 F 4.9995 7.6533 117.1547 55.3724 40.5074 173.6588 23 R 4.6760 8.8112 118.9478 53.0322 32.1800 172.8549 24 P 4.4018 0.0000 0.0000 63.8033 30.9509 173.7304 25 G 3.8612 7.9030 114.9179 45.7146 0.0000 173.9520 26 D 4.6571 8.2434 119.6743 53.0230 41.2511 174.2198 27 T 4.7481 8.4085 114.6924 60.3771 69.3903 173.6036 28 V 4.6362 8.3204 127.4614 59.7727 34.6475 174.2116 29 R 4.6995 8.7641 122.6897 54.5457 33.0071 175.2030 30 V 4.5545 8.3351 124.3274 60.0309 33.2673 174.5931 31 S 4.8103 8.2604 120.3629 57.8528 64.0113 172.8286 32 Y 4.9996 9.3615 126.3083 55.2489 41.7128 174.8420 33 K 4.5554 7.7822 126.1860 56.8393 32.9773 176.6399 34 V 4.4570 8.8499 122.9546 61.6708 35.6136 173.8837 35 K 5.7211 8.9978 126.7654 54.2502 31.9764 174.3776 36 E 4.3697 8.5298 123.0074 55.6799 31.8725 176.3950 37 G 3.8635 8.4503 112.4939 47.0559 0.0000 174.2232 38 N 4.7425 8.8658 121.4082 52.2687 38.2621 174.7791 39 R 4.4985 7.4911 117.0944 55.3655 31.8162 174.6929 40 T 5.2592 8.1500 113.5930 62.3546 72.0678 173.8211 41 R 4.7164 8.8993 122.8914 54.3476 33.4488 174.3746 42 I 4.7619 8.2149 119.1593 59.7470 39.1147 175.2441 43 Q 4.3866 8.9664 129.5416 55.3018 30.3788 174.3319 44 D 5.3234 8.7460 125.9143 52.8736 43.0179 175.0285 45 F 5.0189 8.7605 128.1199 57.0168 40.7510 174.2414 46 E 4.3216 8.5926 128.1493 54.7326 31.1229 174.2960 47 G 3.8399 7.8184 115.6925 45.2734 0.0000 169.7203 48 I 4.5989 8.1270 120.4959 60.2735 38.8431 175.9467 49 V 4.3010 8.0897 126.1831 61.6131 32.0797 176.8006 50 I 3.8108 8.6804 126.5145 62.9295 38.7557 175.1801 51 R 4.6850 7.2003 116.4540 55.3886 33.2761 173.7765 52 I 4.8317 8.4631 125.9660 59.4461 40.0481 174.9103 53 R 4.3347 8.8527 125.3056 55.6521 30.9075 175.6549 54 R 4.6317 8.3075 122.0594 53.7385 31.9122 176.8015 55 N 4.8202 8.8335 118.2180 54.2624 41.4130 175.5586 56 G 3.7665 7.9112 116.5402 45.8516 0.0000 172.0546 57 F 4.4552 8.5975 124.3520 61.4345 39.4703 175.5090 58 N 4.2144 7.6747 125.1106 52.2630 35.3115 173.6217 59 T 4.8432 7.7450 120.7549 61.0419 71.3353 172.0282 60 T 5.2428 8.6091 115.9626 60.0853 72.8819 172.4981 61 F 5.6945 9.3128 116.8420 55.5231 41.9170 173.4889 62 T 4.6832 8.6623 110.2492 59.8387 72.1361 172.8508 63 V 5.0265 8.8445 122.6658 61.2049 35.1753 174.1740 64 R 5.9262 9.2648 126.6233 53.5947 33.4257 174.0737 65 K 4.7456 8.4665 122.7972 55.8565 36.5220 174.7600 66 V 4.3633 8.2420 121.1660 61.6824 32.2307 175.3552 67 S 4.2518 8.9510 124.9052 57.2690 63.0908 173.2445 68 Y 3.7508 8.8291 128.0320 59.0295 34.2871 171.9317 69 G 4.0848 8.1157 107.9141 45.7102 0.0000 172.3041 70 V 4.3146 7.6529 119.1921 61.4234 34.0119 174.9813 71 G 4.4795 8.4805 111.0670 44.8543 0.0000 173.2184 72 V 4.7115 9.3435 121.4788 60.9273 35.5524 174.0630 73 E 5.2182 8.7293 125.0740 54.7582 32.8512 175.0454 74 R 4.1153 8.8630 123.4399 54.0134 33.3821 174.8347 75 I 4.3262 7.6174 123.9473 59.6025 38.8844 174.8920 76 F 4.9018 8.1347 126.1204 55.2031 42.4451 173.8216 77 P 4.6752 0.0000 0.0000 61.9906 31.0275 177.4516 78 L 3.8780 8.0654 126.7693 57.4467 43.2890 177.5624 79 H 5.1989 7.8225 115.1818 55.1096 29.1083 174.4904 80 S 4.5824 8.0837 113.7061 57.4069 63.2052 172.2200 81 P 4.5559 0.0000 0.0000 64.3557 31.8198 176.6036 82 L 4.5443 8.0242 119.6374 54.7878 42.1071 176.6414 83 I 4.1565 7.5752 119.6165 59.5414 37.7001 175.7878 84 Q 3.5208 8.4141 123.1813 58.9542 27.5165 179.5173 85 K 4.8250 7.8923 121.8655 57.9264 36.0560 175.4699 86 I 4.6731 7.5308 110.1443 61.5895 39.6729 174.4540 87 D 4.4402 7.1545 122.8972 54.1714 42.3390 175.1497 88 I 4.3331 7.9603 118.6511 60.9198 38.5790 175.6086 89 V 4.3181 8.1264 113.8416 62.6761 34.7066 175.4372 90 Q 4.6019 7.6469 118.7023 55.6052 32.8454 172.9839 91 R 5.0006 8.3297 119.3680 54.6308 34.5344 174.7157 92 G 4.5195 8.5214 108.8327 44.2699 0.0000 172.0986 93 R 4.2511 8.5502 119.4885 55.7105 31.0399 177.0472 94 A 4.1269 8.7832 125.9441 53.3623 19.0025 180.0642 95 R 4.2463 8.3328 112.4387 57.2428 30.2822 175.6406 96 R 4.6895 8.1853 115.4105 54.3201 34.4873 173.9560 97 A 4.0016 8.9442 127.2612 53.6138 17.3023 179.3398 98 K 3.9864 9.1465 117.5229 55.1698 34.1257 178.0918 99 L 5.1483 8.1344 126.6213 54.8002 40.0899 177.2288 100 Y 4.1669 7.8873 119.2154 61.4389 37.5181 179.0263 101 F 4.2489 9.0336 115.2651 59.9456 37.6710 177.3366 102 I 3.3410 5.4200 112.5128 63.2648 36.7250 176.4355 103 R 3.7782 7.4700 119.7269 57.8874 30.3370 178.6761 104 N 4.0218 7.4056 119.4642 56.3370 39.1903 175.0988 105 L 4.4094 7.6734 119.7513 53.8068 43.0906 174.4694 106 S 4.8700 9.0763 119.1382 55.8281 68.1117 175.1909 107 D 5.1464 7.7216 123.2620 53.5840 36.7018 177.8762 108 R 4.7394 8.6145 117.0843 56.3535 30.1757 175.8359 109 E 4.4444 8.0689 117.0268 58.3920 30.8459 177.6949 110 I 3.6387 7.8617 117.9185 64.1582 37.5363 177.7791 111 R 4.0249 7.2073 116.9039 58.8607 30.1236 178.3060 112 R 4.0438 7.8327 117.2123 59.4299 30.1766 178.2452 113 K 4.2684 8.2444 117.4775 57.7782 33.5621 177.7537 114 L 4.7104 7.4328 118.5914 52.3536 40.4874 175.6221 115 R 3.5043 7.3730 113.3742 57.5969 29.8823 177.1509 116 A 4.6638 7.3786 122.5959 49.9762 22.4879 178.0155 117 D 4.7211 8.4196 126.6908 54.1535 37.3489 177.0536 118 R 4.0951 7.7227 120.3707 57.7756 30.1008 178.4672 119 K 3.9065 7.8216 120.1469 59.7380 32.2998 178.7150 120 R 4.1170 7.8559 115.6594 58.4149 30.3111 178.7119 121 I 3.8476 7.7430 120.4071 64.4710 37.2079 177.6648 122 D 4.3365 7.9008 119.4406 57.7776 40.5561 178.8235 123 Q 4.2434 7.6041 113.9507 57.3645 28.3813 176.6604 124 D 4.7594 8.6048 119.8061 56.1758 42.4674 178.5744 125 R 3.9417 8.0180 117.5686 58.9107 29.9774 178.6995 126 A 4.0829 8.1881 120.6259 54.7859 18.6613 178.9945 127 A 4.1077 7.4323 114.0025 52.8674 17.9624 177.8701 128 E 4.4382 7.9956 119.1906 59.3269 30.5799 178.2484 129 R 4.0683 7.7707 118.0538 58.9007 30.0163 178.8590 130 A 4.0860 7.8389 121.4026 54.7290 18.8540 179.3266 131 A 4.0642 7.8544 119.2985 55.4317 18.4674 179.8576 132 K 3.9471 7.5025 115.2183 59.5422 32.1856 178.4093 133 E 4.1718 7.6903 112.5057 57.2981 29.5305 177.7613 134 E 4.0438 7.7240 121.6673 56.3422 28.0822 175.3142 135 A 3.6836 7.9991 127.1627 52.4779 15.6250 177.7704 136 Q 4.4832 7.5912 115.3737 54.9476 32.0256 174.5382 137 K 4.0886 8.2060 121.1694 57.4561 32.0395 176.5000 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 4.47 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 N 8.19 4.60 0.00 2.84 2.84 0.00 0.00 6.71 6.78 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 3 R 9.11 5.28 0.00 1.92 1.83 0.00 3.18 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 4 G 7.59 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 5 A 7.94 4.08 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 6 L 7.89 3.94 0.00 1.78 1.79 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.80 3.75 2.05 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 1.82 0.93 0.92 0.00 0.00 8 K 7.41 5.25 0.00 2.11 2.06 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.36 7.81 9 L 8.26 3.94 0.00 1.85 1.79 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.56 3.64 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 0.83 0.00 0.00 0.96 0.00 0.00 11 E 8.85 4.18 0.00 2.27 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 2.36 2.43 0.00 12 S 7.59 4.05 0.00 4.05 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 13 R 7.85 4.31 0.00 1.74 1.92 0.00 2.89 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 1.30 1.10 0.00 14 Y 6.79 4.35 0.00 2.33 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 15 V 7.23 3.96 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 0.66 0.00 0.00 0.92 0.00 0.00 16 R 7.67 4.75 0.00 1.78 1.98 0.00 3.35 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 17 T 8.04 4.53 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 1.19 0.00 0.00 18 D 8.46 4.52 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.87 4.04 0.00 1.70 1.73 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.53 0.00 2.12 2.01 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 21 E 8.46 4.40 0.00 1.93 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 2.22 2.27 0.00 22 F 7.65 5.00 0.00 3.16 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 23 R 8.81 4.68 0.00 1.99 1.98 0.00 2.81 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 24 P 0.00 4.40 0.00 2.36 2.20 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 25 G 7.90 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 26 D 8.24 4.66 0.00 3.14 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 27 T 8.41 4.75 4.18 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 1.20 0.00 0.00 28 V 8.32 4.64 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.66 0.00 0.00 29 R 8.76 4.70 0.00 1.76 1.87 0.00 3.17 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 30 V 8.34 4.55 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 0.82 0.00 0.00 0.63 0.00 0.00 31 S 8.26 4.81 0.00 3.79 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 32 Y 9.36 5.00 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.78 4.56 0.00 1.36 1.58 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.22 7.81 34 V 8.85 4.46 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 0.99 0.00 0.00 1.23 0.00 0.00 35 K 9.00 5.72 0.00 1.67 1.77 0.00 1.72 0.00 0.00 2.42 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 36 E 8.53 4.37 0.00 2.16 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 2.33 2.31 0.00 37 G 8.45 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 38 N 8.87 4.74 0.00 2.82 2.92 0.00 0.00 5.81 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 39 R 7.49 4.50 0.00 1.96 2.13 0.00 2.73 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 40 T 8.15 5.26 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 1.21 0.00 0.00 41 R 8.90 4.72 0.00 1.87 2.05 0.00 3.06 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 42 I 8.21 4.76 1.88 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 1.43 0.53 1.08 0.00 0.00 43 Q 8.97 4.39 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 44 D 8.75 5.32 0.00 2.69 2.61 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 45 F 8.76 5.02 0.00 3.11 3.13 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 46 E 8.59 4.32 0.00 1.88 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 47 G 7.82 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 48 I 8.13 4.60 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.95 0.00 0.00 49 V 8.09 4.30 2.20 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 0.99 0.00 0.00 1.31 0.00 0.00 50 I 8.68 3.81 1.81 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 1.10 1.13 0.76 0.00 0.00 51 R 7.20 4.69 0.00 1.45 1.24 0.00 3.28 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 52 I 8.46 4.83 1.90 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 1.72 0.95 0.97 0.00 0.00 53 R 8.85 4.33 0.00 1.94 2.11 0.00 2.78 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.64 0.00 54 R 8.31 4.63 0.00 1.71 1.88 0.00 3.29 0.00 0.00 2.35 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 55 N 8.83 4.82 0.00 2.62 2.90 0.00 0.00 7.17 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.91 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.60 4.46 0.00 2.93 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 58 N 7.67 4.21 0.00 2.67 2.40 0.00 0.00 5.70 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 59 T 7.75 4.84 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 1.26 0.00 0.00 60 T 8.61 5.24 4.42 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 1.21 0.00 0.00 61 F 9.31 5.69 0.00 3.46 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 62 T 8.66 4.68 4.16 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 1.13 0.00 0.00 63 V 8.84 5.03 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 0.85 0.00 0.00 1.19 0.00 0.00 64 R 9.26 5.93 0.00 1.84 1.65 0.00 3.39 0.00 0.00 3.28 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 65 K 8.47 4.75 0.00 1.67 1.55 0.00 1.41 0.00 0.00 1.54 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.46 7.81 66 V 8.24 4.36 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 0.84 0.00 0.00 0.91 0.00 0.00 67 S 8.95 4.25 0.00 3.80 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 68 Y 8.83 3.75 0.00 3.25 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 69 G 8.12 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 70 V 7.65 4.31 2.13 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 1.02 0.00 0.00 1.00 0.00 0.00 71 G 8.48 4.48 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 0.00 72 V 9.34 4.71 2.34 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 0.91 0.00 0.00 0.99 0.00 0.00 73 E 8.73 5.22 0.00 1.78 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 2.21 2.31 0.00 74 R 8.86 4.12 0.00 0.82 0.66 0.00 2.30 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 75 I 7.62 4.33 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.34 0.77 0.00 0.00 76 F 8.13 4.90 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.68 0.00 2.13 1.98 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 78 L 8.07 3.88 0.00 1.91 1.53 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.82 5.20 0.00 3.49 3.58 0.00 5.77 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.08 4.58 0.00 4.12 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 81 P 0.00 4.56 0.00 2.14 2.17 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 82 L 8.02 4.54 0.00 1.25 1.09 0.98 0.46 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 83 I 7.58 4.16 1.94 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 0.77 0.98 0.00 0.00 84 Q 8.41 3.52 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 85 K 7.89 4.82 0.00 1.93 1.88 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.36 7.81 86 I 7.53 4.67 1.85 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 1.14 1.11 0.92 0.00 0.00 87 D 7.15 4.44 0.00 2.77 2.48 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 88 I 7.96 4.33 1.85 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 1.35 0.58 0.92 0.00 0.00 89 V 8.13 4.32 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 0.63 0.00 0.00 0.90 0.00 0.00 90 Q 7.65 4.60 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 91 R 8.33 5.00 0.00 1.75 1.75 0.00 3.13 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 92 G 8.52 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 93 R 8.55 4.25 0.00 1.84 1.90 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 94 A 8.78 4.13 1.46 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 95 R 8.33 4.25 0.00 1.94 2.04 0.00 3.27 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 96 R 8.19 4.69 0.00 1.64 1.72 0.00 3.21 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 97 A 8.94 4.00 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 98 K 9.15 3.99 0.00 1.88 1.58 0.00 1.63 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.61 1.44 7.81 99 L 8.13 5.15 0.00 2.08 2.21 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.89 4.17 0.00 3.18 3.07 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 0.00 101 F 9.03 4.25 0.00 3.26 3.38 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 0.00 102 I 5.42 3.34 1.53 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 1.00 0.25 -0.18 0.00 0.00 103 R 7.47 3.78 0.00 1.93 1.87 0.00 3.18 0.00 0.00 3.23 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 104 N 7.41 4.02 0.00 2.80 2.91 0.00 0.00 6.88 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 0.00 105 L 7.67 4.41 0.00 1.62 1.60 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.08 4.87 0.00 3.89 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 0.00 107 D 7.72 5.15 0.00 2.95 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 0.00 0.00 0.00 108 R 8.61 4.74 0.00 1.79 1.95 0.00 3.21 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 1.56 1.64 0.00 109 E 8.07 4.44 0.00 2.26 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 2.33 2.30 0.00 110 I 7.86 3.64 1.88 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 1.56 1.21 0.95 0.00 0.00 111 R 7.21 4.02 0.00 1.87 1.97 0.00 3.22 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 1.65 1.62 0.00 112 R 7.83 4.04 0.00 1.82 2.13 0.00 3.26 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 113 K 8.24 4.27 0.00 2.03 2.08 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.78 1.63 7.81 114 L 7.43 4.71 0.00 1.73 1.62 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.37 3.50 0.00 1.92 1.92 0.00 3.30 0.00 0.00 3.35 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 116 A 7.38 4.66 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 0.00 117 D 8.42 4.72 0.00 2.76 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 0.00 118 R 7.72 4.10 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 119 K 7.82 3.91 0.00 1.82 1.97 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 120 R 7.86 4.12 0.00 1.83 1.98 0.00 3.27 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 121 I 7.74 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.05 0.91 0.00 0.00 122 D 7.90 4.34 0.00 2.64 2.74 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 0.00 123 Q 7.60 4.24 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 124 D 8.60 4.76 0.00 2.92 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 0.00 125 R 8.02 3.94 0.00 1.81 2.00 0.00 3.28 0.00 0.00 3.50 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.66 0.00 126 A 8.19 4.08 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 0.00 127 A 7.43 4.11 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 0.00 128 E 8.00 4.44 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 129 R 7.77 4.07 0.00 1.80 1.90 0.00 3.13 0.00 0.00 3.17 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 130 A 7.84 4.09 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 0.00 131 A 7.85 4.06 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 0.00 132 K 7.50 3.95 0.00 1.94 1.88 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.38 7.81 133 E 7.69 4.17 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 2.48 2.24 0.00 134 E 7.72 4.04 0.00 1.98 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 0.00 2.32 2.29 0.00 135 A 8.00 3.68 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 0.00 136 Q 7.59 4.48 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 137 K 8.21 4.09 0.00 1.78 1.73 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.39 7.81