NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5645 8.3649 120.1898 54.2082 41.3697 174.9761 3 K 4.0722 8.4687 126.1542 56.6374 32.8147 175.6020 4 I 4.2477 8.4177 122.4595 60.6139 38.8318 175.6646 5 I 3.8584 8.6392 128.8317 61.5081 38.4628 175.0885 6 H 4.7416 8.5965 123.9324 54.1255 28.8853 174.6261 7 L 4.4830 8.6943 123.8362 54.9078 42.3986 176.4501 8 T 4.6689 8.4782 109.4234 60.8538 71.6788 173.9017 9 E 4.3667 8.7327 118.8866 58.0926 29.9444 177.3251 10 D 4.6286 8.1493 117.5236 55.5346 41.6589 177.5868 11 S 4.6494 7.6563 113.1871 58.1458 63.4184 175.8457 12 F 3.9344 7.8654 124.8245 61.5600 39.2886 176.0888 13 D 4.2586 8.2833 117.1627 57.8112 40.7280 178.2651 14 T 3.7701 7.6941 113.7934 66.9868 68.6931 176.1357 15 D 4.3890 8.4080 119.5789 56.4997 41.0291 176.8102 16 V 3.8189 7.4291 115.6858 64.0488 33.0651 177.2619 17 L 3.8448 7.0744 117.7615 57.2389 41.7737 178.9742 18 K 4.4447 7.6811 114.6689 55.7403 32.1106 176.2082 19 A 4.0965 7.7823 123.6402 52.2454 18.8482 177.4575 20 D 5.0288 9.3044 122.4609 50.4427 40.3076 177.3752 21 G 3.6507 7.3372 110.7103 44.8469 0.0000 167.9751 22 A 5.0028 8.1826 123.3379 50.9117 20.9531 176.9003 23 I 4.6835 8.8454 123.6345 59.6294 40.8146 174.8849 24 L 5.0030 8.7087 130.7729 53.4059 41.7513 174.5599 25 V 3.9855 8.6856 124.6224 62.4072 33.2002 173.8318 26 D 5.0837 8.3809 127.4822 52.4925 43.4010 174.6143 27 F 5.1091 9.0723 126.6733 56.8638 40.4172 175.3415 28 W 5.4661 8.7654 119.3398 55.9455 32.2586 172.9070 29 A 3.7626 7.8522 119.0891 50.3228 21.3138 177.2751 30 E 4.0753 8.1094 120.7344 58.8118 29.9639 178.5725 31 W 4.2899 7.4230 114.5461 58.6962 28.7527 177.0100 32 C 4.6786 7.1487 118.9896 55.8923 44.3297 173.9464 33 G 3.5752 8.8035 115.7942 47.4594 0.0000 172.7073 34 P 4.2379 0.0000 0.0000 65.7472 30.8056 178.7200 35 C 4.2162 8.2462 115.4861 60.0132 39.9988 176.3193 36 K 3.7454 7.6325 117.7391 59.5073 31.6167 179.1182 37 M 4.2055 7.9669 119.0489 58.0208 32.1026 178.2541 38 I 3.8899 7.9317 112.3725 62.6803 37.7292 177.9274 39 A 3.7497 7.4938 123.8386 54.7086 17.7434 177.7767 40 P 4.1516 0.0000 0.0000 65.7688 31.0756 178.6895 41 I 3.7814 7.4144 119.4512 64.1134 37.2303 177.6486 42 L 3.8482 7.9653 120.0405 58.0086 41.5097 179.2131 43 D 4.3285 7.6860 118.3071 57.7002 40.7927 178.9643 44 E 4.0024 7.6946 117.5112 59.3894 29.4121 179.4930 45 I 3.6661 8.0010 119.8364 64.3493 37.0158 177.9996 46 A 4.0317 8.1137 120.8801 55.6791 18.2744 179.2499 47 D 4.4494 8.0695 116.6408 57.7393 40.8191 178.7866 48 E 4.2268 8.3186 116.8701 58.0452 29.6982 177.2088 49 Y 4.5270 8.4916 116.9508 57.3545 38.5487 175.2714 50 Q 4.1023 7.6257 120.1225 57.7579 28.9133 177.5446 51 G 4.0211 9.1380 111.1012 45.3291 0.0000 173.6253 52 K 4.4764 7.5491 116.9199 56.7566 34.5960 175.3100 53 L 4.6257 7.9913 116.6593 55.5617 43.7385 174.3113 54 T 4.7127 9.2026 116.0777 61.8218 71.7764 173.6887 55 V 4.6736 8.1987 123.2732 61.4236 33.9089 174.3474 56 A 5.2355 8.5727 127.3927 50.4659 23.4889 174.8012 57 K 4.8010 8.6032 116.7537 54.8766 37.1415 175.4238 58 L 4.9670 8.9810 126.1716 53.2184 45.3866 174.4235 59 N 4.4494 8.6391 125.0344 51.8415 39.9543 175.1414 60 I 4.3080 8.2548 120.6383 62.3824 38.1572 177.7484 61 D 4.4938 8.0608 122.0743 56.3854 41.5149 177.6305 62 Q 4.1964 8.2452 117.2910 57.7437 29.2886 175.9928 63 N 4.9758 8.3831 115.7518 50.8067 38.6966 172.8100 64 P 5.1958 0.0000 0.0000 62.8241 32.4844 177.9293 65 G 3.9789 9.4851 107.9014 46.0504 0.0000 175.0582 66 T 4.0840 8.0773 116.8477 66.2704 69.4029 176.6799 67 A 3.7641 8.1759 122.6988 54.9368 18.2795 177.7305 68 P 4.2961 0.0000 0.0000 64.8961 31.1861 178.8235 69 K 3.9044 7.6717 116.9831 59.0497 31.9240 177.1963 70 Y 4.3687 7.8589 113.9840 57.2296 37.9721 175.4545 71 G 4.0221 7.9033 106.1194 46.1958 0.0000 174.3805 72 I 3.7024 7.1834 119.4555 61.5561 37.3566 177.5782 73 R 4.5715 8.3187 123.6605 52.4745 31.6687 170.9822 74 G 3.5441 7.5532 104.5548 43.5061 0.0000 170.7064 75 I 4.8327 7.9049 118.6048 57.9543 41.1615 173.0465 76 P 5.2575 0.0000 0.0000 62.6563 32.9964 174.8731 77 T 5.0076 8.6674 119.0621 61.9168 71.3281 173.1004 78 L 5.2609 8.7241 127.2641 52.9336 43.0841 175.5265 79 L 5.0055 8.7192 124.7023 53.3132 43.9290 175.3851 80 L 4.9970 8.9780 126.4233 53.8768 43.8052 174.8648 81 F 5.2324 9.6775 125.7270 55.7880 41.6194 174.7379 82 K 4.7026 9.0874 123.1472 55.6542 34.4267 176.6745 83 N 4.2713 8.6614 122.5512 53.7745 36.0592 175.0478 84 G 4.0924 7.9673 104.0262 45.9016 0.0000 171.7004 85 E 4.8116 8.2111 120.1786 54.4782 31.1206 176.5971 86 V 3.5161 8.1261 117.1919 60.1399 29.7393 176.0554 87 A 3.8499 8.2010 125.6341 54.8078 19.1716 177.7327 88 A 4.5107 7.3703 113.6874 51.4808 23.1273 175.7610 89 T 5.1855 8.8095 117.3142 61.6795 72.2402 173.5286 90 K 4.4659 9.0551 126.0678 54.7603 35.3617 174.9368 91 V 4.3721 8.5585 127.0830 62.3769 33.7515 176.7228 92 G 3.7271 8.3730 114.8791 44.8144 0.0000 172.5479 93 A 4.5502 8.0622 121.2800 50.9860 20.6543 175.8228 94 L 4.4342 7.6584 118.3835 53.8245 43.0463 175.2980 95 S 4.5150 9.0102 115.8997 56.9256 65.7502 174.8847 96 K 3.8832 8.5030 121.3991 59.8845 31.8617 178.4161 97 G 3.8664 8.1690 105.2627 48.1655 0.0000 175.3478 98 Q 4.0446 7.8421 119.8661 58.6367 28.6990 178.4717 99 L 3.9269 7.8534 121.4408 58.1378 42.0703 178.5104 100 K 3.8283 8.5632 118.6529 59.6885 31.9597 178.2303 101 E 3.9227 8.4389 118.8778 59.7660 29.4978 178.6452 102 F 4.1576 8.5653 120.4365 61.9075 39.0683 176.9875 103 L 3.9159 8.4497 118.1151 57.8095 41.2525 178.9477 104 D 4.7919 8.7582 118.7606 57.9027 40.7332 179.4531 105 A 3.9832 8.0893 119.4426 54.6933 18.4710 178.5840 106 N 4.5050 7.9205 112.8348 53.9689 39.1214 177.4395 107 L 4.0790 9.0423 121.4296 58.2322 41.9797 176.7138 108 A 4.1634 7.3843 124.4219 52.1181 18.1073 177.0018 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 D 8.36 4.56 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.47 4.07 0.00 1.84 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.46 7.81 4 I 8.42 4.25 1.93 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 1.13 0.40 0.68 0.00 0.00 5 I 8.64 3.86 1.79 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 1.17 0.85 0.86 0.00 0.00 6 H 8.60 4.74 0.00 3.06 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.69 4.48 0.00 1.65 1.75 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.48 4.67 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 1.25 0.00 0.00 9 E 8.73 4.37 0.00 2.01 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 2.29 2.34 0.00 10 D 8.15 4.63 0.00 2.69 2.75 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 11 S 7.66 4.65 0.00 4.03 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.87 3.93 0.00 3.48 3.21 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 0.00 13 D 8.28 4.26 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.69 3.77 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 1.17 0.00 0.00 15 D 8.41 4.39 0.00 2.55 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 16 V 7.43 3.82 0.67 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 -0.05 0.00 0.00 0.30 0.00 0.00 17 L 7.07 3.84 0.00 1.97 1.72 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.68 4.44 0.00 1.92 1.76 0.00 1.91 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.33 7.81 19 A 7.78 4.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.30 5.03 0.00 2.61 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 21 G 7.34 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 22 A 8.18 5.00 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 23 I 8.85 4.68 1.82 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 1.06 0.75 0.76 0.00 0.00 24 L 8.71 5.00 0.00 1.82 1.57 1.11 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.69 3.99 2.32 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 -0.12 0.00 0.00 0.89 0.00 0.00 26 D 8.38 5.08 0.00 2.69 2.53 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 27 F 9.07 5.11 0.00 3.05 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 28 W 8.77 5.47 0.00 3.45 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 3.76 0.21 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 0.00 0.00 0.00 30 E 8.11 4.08 0.00 1.80 1.89 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 2.33 2.42 0.00 31 W 7.42 4.29 0.00 3.54 3.22 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 32 C 7.15 4.68 0.00 2.23 2.69 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 33 G 8.80 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.24 0.00 2.28 2.36 0.00 3.79 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 2.12 2.12 0.00 35 C 8.25 4.22 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 36 K 7.63 3.75 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.95 0.00 0.00 3.32 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.74 7.81 37 M 7.97 4.21 0.00 1.96 2.22 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 2.63 2.83 0.00 38 I 7.93 3.89 1.78 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 1.65 0.61 0.94 0.00 0.00 39 A 7.49 3.75 1.05 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 40 P 0.00 4.15 0.00 2.23 2.28 0.00 3.64 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 2.10 2.01 0.00 41 I 7.41 3.78 1.98 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 1.60 0.59 0.85 0.00 0.00 42 L 7.97 3.85 0.00 1.65 1.62 0.75 1.23 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 43 D 7.69 4.33 0.00 2.84 2.69 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 44 E 7.69 4.00 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 45 I 8.00 3.67 1.88 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 1.57 0.72 0.55 0.00 0.00 46 A 8.11 4.03 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 47 D 8.07 4.45 0.00 3.02 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 48 E 8.32 4.23 0.00 2.25 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 0.00 2.39 2.55 0.00 49 Y 8.49 4.53 0.00 2.98 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 50 Q 7.63 4.10 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 51 G 9.14 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 52 K 7.55 4.48 0.00 1.72 1.84 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.63 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.30 7.81 53 L 7.99 4.63 0.00 1.77 1.68 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.20 4.71 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 1.18 0.00 0.00 55 V 8.20 4.67 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 1.04 0.00 0.00 0.91 0.00 0.00 56 A 8.57 5.24 1.12 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 57 K 8.60 4.80 0.00 1.69 1.73 0.00 1.39 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.26 1.23 7.81 58 L 8.98 4.97 0.00 1.57 1.19 0.92 0.39 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 59 N 8.64 4.45 0.00 2.28 2.54 0.00 0.00 6.98 7.93 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 60 I 8.25 4.31 1.88 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 1.24 1.42 1.05 0.00 0.00 61 D 8.06 4.49 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.25 4.20 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.16 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 63 N 8.38 4.98 0.00 2.77 2.69 0.00 0.00 6.63 7.79 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 64 P 0.00 5.20 0.00 2.18 2.22 0.00 3.51 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 65 G 9.49 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 66 T 8.08 4.08 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 0.61 0.00 0.00 67 A 8.18 3.76 1.21 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 0.00 0.00 0.00 68 P 0.00 4.30 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 69 K 7.67 3.90 0.00 1.90 1.61 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.60 7.81 70 Y 7.86 4.37 0.00 2.78 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 71 G 7.90 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 72 I 7.18 3.70 1.61 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.10 0.78 0.00 0.00 73 R 8.32 4.57 0.00 1.74 1.81 0.00 3.36 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 74 G 7.55 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 75 I 7.90 4.83 2.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 1.01 0.00 0.00 76 P 0.00 5.26 0.00 2.16 2.26 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.83 0.00 77 T 8.67 5.01 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 1.28 0.00 0.00 78 L 8.72 5.26 0.00 1.38 1.56 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.72 5.01 0.00 1.91 1.27 0.81 0.56 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 80 L 8.98 5.00 0.00 1.89 1.53 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.68 5.23 0.00 2.94 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 82 K 9.09 4.70 0.00 1.68 1.72 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.39 7.81 83 N 8.66 4.27 0.00 2.78 2.98 0.00 0.00 6.97 8.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.97 4.09 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 0.00 0.00 0.00 85 E 8.21 4.81 0.00 2.24 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 86 V 8.13 3.52 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 -0.03 0.00 0.00 1.00 0.00 0.00 87 A 8.20 3.85 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 88 A 7.37 4.51 0.93 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 0.00 0.00 89 T 8.81 5.19 4.31 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 1.24 0.00 0.00 90 K 9.06 4.47 0.00 1.03 0.83 0.00 1.37 0.00 0.00 1.43 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.82 1.12 7.81 91 V 8.56 4.37 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 0.85 0.00 0.00 0.93 0.00 0.00 92 G 8.37 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 93 A 8.06 4.55 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 94 L 7.66 4.43 0.00 1.91 1.55 0.77 0.45 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 95 S 9.01 4.52 0.00 4.03 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 96 K 8.50 3.88 0.00 1.83 1.85 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.52 1.50 7.81 97 G 8.17 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 0.00 0.00 0.00 98 Q 7.84 4.04 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 7.85 3.93 0.00 1.85 1.71 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.56 3.83 0.00 2.01 1.96 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.54 7.81 101 E 8.44 3.92 0.00 2.09 2.24 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 2.40 2.41 0.00 102 F 8.57 4.16 0.00 3.06 3.27 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 0.00 103 L 8.45 3.92 0.00 1.82 1.73 0.47 1.28 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 0.00 104 D 8.76 4.79 0.00 2.71 2.80 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 0.00 0.00 0.00 105 A 8.09 3.98 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 0.00 106 N 7.92 4.51 0.00 2.31 2.59 0.00 0.00 7.08 8.54 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 0.00 107 L 9.04 4.08 0.00 1.57 1.75 1.11 0.77 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 0.00 108 A 7.38 4.16 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00