NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3338 8.1849 120.6272 54.1685 44.0912 176.8811 2 N 4.9530 7.5544 113.9840 49.8033 43.8816 173.5227 3 I 3.6646 9.0931 123.9865 64.7624 37.5342 178.0525 4 E 4.1951 8.2917 118.6758 59.8659 29.3407 179.2206 5 Q 4.0208 8.0304 118.8065 58.8098 29.1382 177.4788 6 Q 3.9634 8.1372 120.7645 59.2580 29.2718 178.2472 7 L 3.9978 8.0885 119.9155 57.9946 41.6242 178.8705 8 Y 3.9923 8.0731 119.2396 60.9706 38.7768 177.9973 9 D 4.3677 8.6387 120.0680 57.5561 40.9794 179.3182 10 V 3.6435 8.1933 113.3288 64.1724 31.4155 178.9191 11 V 3.4941 7.6080 117.6715 65.6887 31.3632 177.7473 12 K 3.5837 7.7917 119.6090 59.6129 32.0193 178.2018 13 Q 3.8918 7.9377 119.4841 59.2092 28.8810 178.1545 14 L 3.9397 7.7825 121.0318 58.2539 42.0632 179.0129 15 I 3.8584 7.9738 119.9362 64.5206 36.8001 178.3311 16 E 3.9840 8.1332 118.5447 59.1533 29.2739 179.0044 17 Q 4.0239 7.7787 118.8051 58.9901 29.3392 177.4552 18 R 4.0870 8.0731 117.8245 56.9868 31.4023 175.8527 19 Y 4.8449 8.0932 116.2552 55.6140 38.3426 174.1607 20 P 4.3984 0.0000 0.0000 64.7218 32.3447 177.3236 21 N 5.2981 7.0833 111.5790 52.3460 42.7602 175.8489 22 D 4.4587 9.2219 119.9799 53.8823 39.6290 172.7923 23 W 4.6258 8.3694 131.6177 58.3620 31.4816 177.0475 24 G 3.1254 7.4749 112.6949 44.3518 0.0000 171.5358 25 G 4.0749 6.4423 107.6814 45.2806 0.0000 171.5450 26 A 4.8935 8.2797 121.3207 51.2532 23.5831 174.7948 27 A 5.2329 9.0987 119.4556 50.5468 23.2981 175.1915 28 A 5.2448 9.0504 119.7497 50.2994 23.1845 175.3156 29 I 4.9466 8.8119 120.8251 59.5048 40.9200 174.5547 30 R 4.7947 8.8968 127.4537 54.8857 32.3306 175.5465 31 V 5.0486 7.8367 117.9886 58.4349 34.7705 176.6273 32 E 3.8362 8.7786 120.8287 59.6407 29.2247 178.1918 33 D 4.4609 7.9256 115.1382 53.5608 39.8591 177.0297 34 G 3.8804 8.0619 109.2361 45.1416 0.0000 174.2411 35 T 3.8025 7.8456 117.1613 63.9176 69.6175 173.1275 36 I 4.7492 7.9104 125.2541 59.6834 39.7679 174.4549 37 Y 5.1159 8.6624 124.9007 56.5199 40.5595 174.8971 38 T 5.3313 8.5797 111.9221 60.2814 72.0727 172.8433 39 S 4.8399 9.0148 116.6134 57.4969 67.0146 172.9237 40 V 5.0331 8.2410 112.2814 59.2356 35.3676 175.6633 41 A 4.2928 8.8030 125.4617 51.1571 19.0509 176.0544 42 P 4.5070 0.0000 0.0000 62.4066 32.1868 176.2901 43 D 4.5977 8.5366 120.8655 54.6660 41.4557 176.1367 44 V 4.6106 7.9971 114.6423 59.8120 35.6377 175.2593 45 I 4.1918 8.3317 113.6993 60.6188 39.3517 174.8943 46 N 4.7356 7.8718 119.7011 51.2852 39.9711 174.3170 47 A 3.9999 8.7347 130.2712 55.4106 18.5030 178.8618 48 S 4.3729 8.0805 107.9861 60.0471 63.0279 174.7679 49 T 4.3753 7.8598 111.1716 61.3678 69.0545 174.6413 50 E 4.1802 7.7673 123.0338 56.4139 30.2514 175.7751 51 L 4.9111 7.9747 122.6815 52.6011 46.0230 175.5309 52 C 4.5978 8.5460 115.5582 55.5045 42.3939 174.8120 53 M 4.0125 8.6208 121.0351 58.5432 31.7529 178.3319 54 E 4.2446 8.2286 117.2627 58.4210 29.6532 178.7458 55 T 4.1496 8.1645 117.0237 66.8054 68.5321 176.4510 56 G 3.6186 8.1567 106.6652 47.7494 0.0000 175.5115 57 A 4.1100 8.0078 122.7766 54.8190 18.5981 179.4573 58 I 3.7698 7.9190 118.3998 64.8374 37.2092 178.6992 59 L 4.1418 8.2244 119.6398 57.5793 41.3176 179.1758 60 E 3.5447 8.1631 119.2960 59.0558 29.4840 178.6936 61 A 4.0825 7.7461 120.6461 55.5493 18.1560 179.3679 62 H 4.3250 8.3428 114.6451 58.7941 28.5452 177.9410 63 K 3.8026 7.8877 120.5194 59.4048 32.1653 178.2838 64 F 4.6246 7.8624 114.5035 56.8173 40.0399 174.9933 65 Q 3.6261 7.7036 118.8993 57.5445 27.6103 172.9594 66 K 4.7699 8.1698 115.5890 54.3947 35.7640 176.3495 67 K 4.0799 8.2780 122.6227 55.3001 33.1794 175.8620 68 V 3.8964 6.3995 126.4838 62.9260 31.5964 175.3382 69 T 4.3753 9.0350 117.3834 62.6942 71.4878 173.8219 70 H 5.1620 7.6895 117.0340 54.1286 33.6592 172.5159 71 S 5.1706 9.2518 115.7484 56.7547 66.0007 172.5333 72 I 5.0288 8.9017 125.5920 59.6694 42.0096 173.1783 73 C 5.2437 8.6193 126.8669 57.8410 35.2297 172.4427 74 L 5.4357 8.7327 124.8208 53.1924 45.3745 175.2747 75 A 4.8549 8.6672 121.9051 50.5513 23.2716 175.4100 76 R 4.7458 8.5242 116.3483 54.2213 32.6602 176.6880 77 E 4.1289 8.9051 120.9126 59.4545 30.0743 176.1845 78 N 5.3916 7.6749 113.5828 52.6517 39.6935 174.5579 79 E 4.0289 8.6058 115.4049 58.5018 29.7822 177.0866 80 H 4.8090 8.2895 115.7746 55.6091 29.1129 174.3907 81 S 4.8209 7.5466 115.7340 56.1611 65.1865 173.4995 82 E 4.1642 8.4021 123.1340 56.1777 30.2015 176.3156 83 L 4.3285 8.5329 126.5091 54.7920 42.5633 176.2997 84 K 4.6456 8.9831 124.0022 54.3311 34.5930 175.8964 85 V 4.2390 8.4065 124.6629 62.9373 32.7854 174.3492 86 L 4.8823 8.7010 128.7399 52.7328 43.1872 176.7909 87 S 4.4838 9.0023 120.4218 57.1173 63.5040 173.0605 88 P 4.5657 0.0000 0.0000 62.4441 31.5010 176.5592 89 C 4.6383 8.5833 116.6757 57.7059 32.0981 174.9026 90 G 3.6862 8.6178 106.7245 47.6521 0.0000 176.1167 91 V 3.6767 7.7871 120.1182 66.4013 31.6967 178.7603 92 C 4.5315 8.2679 115.5870 59.6666 38.9723 175.8283 93 Q 4.0919 8.4983 120.3176 59.2190 28.1430 178.7110 94 E 4.3731 8.1803 118.0261 59.5856 29.9317 179.4691 95 R 4.2233 8.0905 117.7036 59.4808 30.2350 179.0187 96 L 4.5081 8.5912 119.1257 58.1011 41.6691 179.4109 97 F 4.1422 8.6106 116.9070 59.4461 38.5371 176.5160 98 Y 4.2275 7.8289 119.0915 60.4739 38.5286 177.4432 99 W 4.4781 8.1112 116.3558 55.7333 29.4901 176.1611 100 G 2.3659 7.5216 106.1497 43.2688 0.0000 172.7213 101 P 3.8105 0.0000 0.0000 63.8551 31.4640 177.2608 102 E 4.2336 7.3822 117.3531 55.8978 30.2380 175.9821 103 V 3.4957 7.0306 119.9617 63.4351 32.6659 174.6809 104 Q 4.9336 8.6290 127.1286 54.9637 30.4970 174.4086 105 C 5.5099 9.2102 121.3821 57.6272 31.6215 173.3209 106 A 4.3473 9.2559 126.3154 51.8670 18.9748 176.2714 107 I 4.4374 8.0890 116.5923 58.9387 39.8250 176.1333 108 T 4.0195 8.7655 121.6899 63.6268 69.1016 173.4292 109 N 4.6849 8.3479 119.7991 51.6317 39.7302 175.1504 110 A 3.9841 8.8172 123.6246 55.5368 18.3715 179.1128 111 K 4.0983 8.0209 113.1136 56.9333 32.4885 177.5149 112 Q 3.6603 8.0780 116.6400 56.6977 26.7767 173.7568 113 D 4.3253 7.2721 116.7390 54.3534 41.3281 176.6852 114 I 3.9653 7.8451 122.2626 60.2192 37.0310 175.4222 115 I 4.4245 7.7613 126.4756 59.3208 40.1711 174.6152 116 F 5.3707 8.7987 126.0761 56.1292 40.4106 175.5279 117 K 4.8757 9.0191 122.8643 53.5928 35.8840 174.4214 118 P 4.7547 0.0000 0.0000 62.2882 32.3994 177.1460 119 L 3.7654 8.2586 120.6446 57.8608 41.3922 180.1276 120 K 4.0616 7.9446 117.5555 59.5318 32.5398 178.6283 121 E 4.1587 8.0502 118.3249 58.1043 29.8673 177.8342 122 L 4.2270 7.8027 117.9230 56.9781 41.6918 177.0016 123 Q 4.6088 8.2413 117.7824 53.0691 29.1110 173.7898 124 P 4.2629 0.0000 0.0000 63.7179 31.8454 177.2060 125 Y 4.8406 7.1090 117.1230 57.5628 38.9747 175.3737 126 H 4.2846 8.3496 119.2449 55.8791 30.7517 175.8945 127 W 4.3258 8.4804 123.5327 59.7321 27.7604 178.4608 128 T 3.4320 6.5392 109.9714 64.0802 67.6735 175.5967 129 E 3.9210 7.9178 121.7272 59.2518 29.6529 178.2977 130 A 4.0119 7.9187 119.6710 53.8729 18.6784 177.0286 131 Y 4.8117 7.8452 116.0651 57.3017 39.3696 177.6665 132 H 4.1412 8.6751 120.0800 59.7144 30.0382 175.3890 133 D 4.3084 8.1182 119.8086 57.4318 40.6624 178.3659 134 E 3.8688 8.1836 118.3697 59.9449 29.5338 179.4046 135 M 3.3238 7.8920 118.3890 58.0459 31.7334 179.2888 136 V 3.8326 7.7470 112.8180 64.1305 31.4750 178.3291 137 K 3.8120 7.5930 118.2438 59.6432 32.2215 177.9413 138 E 3.9623 8.0847 119.4648 59.2355 29.3731 178.9069 139 W 4.4600 8.4982 119.2673 59.2904 28.8974 178.0106 140 S 4.4755 7.8258 112.1622 60.0699 62.8017 175.4598 141 T 4.2603 7.5329 118.3960 64.5112 68.5624 174.6947 142 R 4.2615 7.6822 125.6378 56.4090 30.2419 176.1586 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 L 8.18 4.33 0.00 1.64 1.79 0.91 0.63 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 2 N 7.55 4.95 0.00 2.75 2.66 0.00 0.00 7.16 6.59 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 3 I 9.09 3.66 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.61 0.00 0.00 4 E 8.29 4.20 0.00 2.09 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 2.54 2.54 0.00 5 Q 8.03 4.02 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 6 Q 8.14 3.96 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 7 L 8.09 4.00 0.00 1.95 1.84 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.07 3.99 0.00 3.07 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 9 D 8.64 4.37 0.00 2.93 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 10 V 8.19 3.64 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 0.89 0.00 0.00 0.95 0.00 0.00 11 V 7.61 3.49 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 1.01 0.00 0.00 0.90 0.00 0.00 12 K 7.79 3.58 0.00 1.36 1.74 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.32 7.81 13 Q 7.94 3.89 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 14 L 7.78 3.94 0.00 1.82 1.81 0.91 1.07 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 15 I 7.97 3.86 1.91 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 1.36 0.62 0.79 0.00 0.00 16 E 8.13 3.98 0.00 2.03 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 2.31 2.40 0.00 17 Q 7.78 4.02 0.00 2.05 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 18 R 8.07 4.09 0.00 1.61 1.80 0.00 2.97 0.00 0.00 3.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 19 Y 8.09 4.84 0.00 2.95 2.83 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 0.00 0.00 0.00 0.00 20 P 0.00 4.40 0.00 2.17 2.18 0.00 3.70 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 1.99 1.97 0.00 21 N 7.08 5.30 0.00 2.75 2.80 0.00 0.00 7.06 7.94 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 22 D 9.22 4.46 0.00 2.98 2.78 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 23 W 8.37 4.63 0.00 3.28 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 24 G 7.47 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 0.00 0.00 0.00 25 G 6.44 4.07 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 0.00 0.00 0.00 26 A 8.28 4.89 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 27 A 9.10 5.23 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 28 A 9.05 5.24 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 29 I 8.81 4.95 2.00 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 1.19 1.18 0.88 0.00 0.00 30 R 8.90 4.79 0.00 1.75 1.66 0.00 2.86 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 31 V 7.84 5.05 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 0.87 0.00 0.00 0.90 0.00 0.00 32 E 8.78 3.84 0.00 1.92 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 2.26 2.40 0.00 33 D 7.93 4.46 0.00 2.71 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 34 G 8.06 3.88 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 0.00 0.00 0.00 35 T 7.85 3.80 3.88 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 0.65 0.00 0.00 36 I 7.91 4.75 1.75 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 1.22 0.64 0.86 0.00 0.00 37 Y 8.66 5.12 0.00 2.93 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 38 T 8.58 5.33 4.29 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 1.24 0.00 0.00 39 S 9.01 4.84 0.00 3.94 4.07 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 40 V 8.24 5.03 2.41 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 0.89 0.00 0.00 1.04 0.00 0.00 41 A 8.80 4.29 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 42 P 0.00 4.51 0.00 2.22 2.10 0.00 4.07 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 43 D 8.54 4.60 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.00 4.61 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 45 I 8.33 4.19 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 1.30 0.63 0.91 0.00 0.00 46 N 7.87 4.74 0.00 2.71 2.71 0.00 0.00 7.10 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.73 4.00 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 48 S 8.08 4.37 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.86 4.38 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 1.26 0.00 0.00 50 E 7.77 4.18 0.00 1.95 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 2.28 2.31 0.00 51 L 7.97 4.91 0.00 1.64 1.53 0.94 0.94 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 52 C 8.55 4.60 0.00 3.17 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 53 M 8.62 4.01 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.80 0.00 54 E 8.23 4.24 0.00 2.15 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 2.48 2.53 0.00 55 T 8.16 4.15 4.30 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 1.26 0.00 0.00 56 G 8.16 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.01 4.11 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 58 I 7.92 3.77 2.18 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.12 1.31 0.00 0.00 59 L 8.22 4.14 0.00 1.85 1.70 0.93 0.70 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 60 E 8.16 3.54 0.00 1.99 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 1.98 2.10 0.00 61 A 7.75 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 62 H 8.34 4.33 0.00 3.41 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.89 3.80 0.00 1.44 1.36 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.62 1.16 7.81 64 F 7.86 4.62 0.00 3.14 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 65 Q 7.70 3.63 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 66 K 8.17 4.77 0.00 1.95 1.72 0.00 1.90 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.69 7.81 67 K 8.28 4.08 0.00 1.93 1.86 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.15 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.36 7.81 68 V 6.40 3.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 -0.60 0.00 0.00 69 T 9.04 4.38 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 1.10 0.00 0.00 70 H 7.69 5.16 0.00 2.90 2.87 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 9.25 5.17 0.00 3.88 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 72 I 8.90 5.03 2.04 0.00 0.00 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 1.15 1.52 0.99 0.00 0.00 73 C 8.62 5.24 0.00 3.20 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 74 L 8.73 5.44 0.00 1.47 1.37 0.35 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.67 4.85 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 76 R 8.52 4.75 0.00 1.68 1.85 0.00 2.77 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 77 E 8.91 4.13 0.00 2.09 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 2.50 2.37 0.00 78 N 7.67 5.39 0.00 2.90 2.93 0.00 0.00 6.50 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 79 E 8.61 4.03 0.00 2.00 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 1.75 2.10 0.00 80 H 8.29 4.81 0.00 3.26 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.55 4.82 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 82 E 8.40 4.16 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 83 L 8.53 4.33 0.00 1.62 1.55 0.77 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.98 4.65 0.00 1.67 1.71 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.49 7.81 85 V 8.41 4.24 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 0.98 0.00 0.00 1.01 0.00 0.00 86 L 8.70 4.88 0.00 1.57 1.62 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 87 S 9.00 4.48 0.00 3.89 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 88 P 0.00 4.57 0.00 2.25 2.23 0.00 3.42 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 89 C 8.58 4.64 0.00 3.23 3.18 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 90 G 8.62 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 91 V 7.79 3.68 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 1.13 0.00 0.00 0.98 0.00 0.00 92 C 8.27 4.53 0.00 3.10 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 93 Q 8.50 4.09 0.00 2.46 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.79 0.00 94 E 8.18 4.37 0.00 2.32 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 0.00 2.82 2.71 0.00 95 R 8.09 4.22 0.00 2.18 2.16 0.00 3.26 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 96 L 8.59 4.51 0.00 1.93 1.81 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.61 4.14 0.00 3.51 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.83 4.23 0.00 2.81 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.11 4.48 0.00 3.60 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 0.00 100 G 7.52 2.37 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 0.00 0.00 0.00 101 P 0.00 3.81 0.00 2.05 2.17 0.00 2.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 102 E 7.38 4.23 0.00 1.81 1.88 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 2.06 2.11 0.00 103 V 7.03 3.50 1.87 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 0.85 0.00 0.00 1.05 0.00 0.00 104 Q 8.63 4.93 0.00 1.44 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 105 C 9.21 5.51 0.00 2.83 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 9.26 4.35 1.02 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 0.00 107 I 8.09 4.44 1.87 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 1.30 0.72 0.99 0.00 0.00 108 T 8.77 4.02 4.26 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 1.23 0.00 0.00 109 N 8.35 4.68 0.00 2.79 2.84 0.00 0.00 6.13 7.03 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 0.00 110 A 8.82 3.98 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 0.00 111 K 8.02 4.10 0.00 1.80 1.82 0.00 1.97 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.44 7.81 112 Q 8.08 3.66 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 113 D 7.27 4.33 0.00 2.69 2.52 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 0.00 114 I 7.85 3.97 1.71 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.29 0.60 0.00 0.00 115 I 7.76 4.42 1.79 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 1.28 0.72 0.89 0.00 0.00 116 F 8.80 5.37 0.00 2.96 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 0.00 117 K 9.02 4.88 0.00 1.64 1.66 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.49 7.81 118 P 0.00 4.75 0.00 2.24 2.21 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 119 L 8.26 3.77 0.00 1.17 0.74 0.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.94 4.06 0.00 1.95 2.04 0.00 1.27 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.37 7.81 121 E 8.05 4.16 0.00 2.10 2.03 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 2.29 2.24 0.00 122 L 7.80 4.23 0.00 1.78 1.79 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.24 4.61 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 124 P 0.00 4.26 0.00 1.47 1.96 0.00 3.37 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 125 Y 7.11 4.84 0.00 2.92 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 0.00 126 H 8.35 4.28 0.00 3.38 3.06 0.00 5.87 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 W 8.48 4.33 0.00 3.62 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 0.00 128 T 6.54 3.43 3.91 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 0.00 0.00 0.00 -0.15 0.00 0.00 129 E 7.92 3.92 0.00 2.03 2.16 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 2.32 2.34 0.00 130 A 7.92 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.85 4.81 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.68 4.14 0.00 3.36 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.12 4.31 0.00 2.74 2.71 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 0.00 134 E 8.18 3.87 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 135 M 7.89 3.32 0.00 0.51 1.61 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.59 0.00 136 V 7.75 3.83 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 0.92 0.00 0.00 0.95 0.00 0.00 137 K 7.59 3.81 0.00 1.83 1.96 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 138 E 8.08 3.96 0.00 1.97 1.65 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 2.05 2.12 0.00 139 W 8.50 4.46 0.00 3.50 3.02 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 0.00 140 S 7.83 4.48 0.00 4.03 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 0.00 141 T 7.53 4.26 4.47 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 1.24 0.00 0.00 142 R 7.68 4.26 0.00 1.86 2.03 0.00 3.11 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00