NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3361 8.2033 119.6867 55.6332 31.0996 177.1179 4 K 3.9750 7.9637 117.2120 58.0464 32.5076 177.3435 5 K 4.1014 8.7197 120.6090 59.1246 32.6299 178.3777 6 I 3.6761 7.7464 119.9778 64.4533 37.0352 177.7345 7 E 3.9710 7.8552 118.6578 59.1778 29.2924 178.3892 8 E 3.9538 7.8351 118.1558 59.3224 29.7234 178.9324 9 I 3.8033 7.7867 119.7622 63.9434 37.1558 178.1623 10 A 4.0485 8.0950 121.6535 54.9574 18.1457 179.2794 11 A 3.9636 8.1857 119.3519 55.6216 18.4817 180.0639 12 K 3.8761 7.8611 116.8010 59.5977 31.9757 179.1085 13 Y 4.0012 7.9696 119.5860 60.6794 38.9855 177.6727 14 K 3.7058 8.7020 119.7662 60.0012 32.2372 178.7885 15 H 4.1847 8.9770 118.6213 59.1148 29.6242 177.3032 16 S 3.8906 7.8141 115.2190 61.0275 62.2162 176.1793 17 V 3.3634 7.4736 121.0150 66.0445 31.2643 178.0576 18 V 3.5698 7.4676 117.4992 65.8280 31.3064 177.8248 19 K 3.8774 7.9876 119.2050 59.5164 31.9847 178.9184 20 K 4.0238 8.1678 118.8610 59.7447 31.8877 178.8127 21 C 4.4703 8.3448 116.8227 59.9427 41.2071 175.1703 22 C 4.3006 8.2591 120.1377 59.9317 38.3211 174.6953 23 Y 4.0029 8.0660 120.9725 61.0990 38.0584 178.1195 24 D 4.4710 8.3969 118.4108 57.4188 41.1487 178.7170 25 G 2.5793 8.0790 106.0665 47.2336 0.0000 175.3568 26 A 3.9395 7.5758 121.5086 53.0436 18.7990 177.5668 27 C 4.0687 6.8278 115.9513 58.8054 28.8565 174.0796 28 V 3.6951 8.0239 123.8010 63.7306 31.9172 175.8178 29 N 4.8462 8.0421 119.4425 52.8405 40.1375 174.4042 30 N 4.3269 8.3644 119.5117 55.6467 39.3795 176.2832 31 D 4.5414 7.5334 118.1208 56.5663 41.0734 176.6945 32 E 4.9244 8.1973 116.5857 53.8822 33.2010 176.3504 33 T 4.2587 9.4762 113.3706 61.3082 71.0405 175.3688 34 C 4.3100 8.6425 119.3347 60.3651 34.5932 175.7978 35 E 3.8950 8.3188 120.2283 59.6552 28.8471 178.9039 36 Q 3.9957 7.6094 116.6962 59.0325 29.1913 178.5297 37 R 4.0666 8.2088 118.8745 59.2570 30.1656 179.0005 38 A 3.5714 8.5192 120.6472 54.8775 18.1052 179.2807 39 A 3.9393 7.5718 118.2720 55.5715 18.4840 179.6246 40 R 4.0614 7.6052 113.9090 56.9129 30.5790 177.3981 41 I 3.6606 6.9837 120.9139 61.5572 37.3488 175.9329 42 S 4.5888 8.4694 117.8303 57.9255 63.5266 174.0444 43 L 4.3194 7.5540 121.4841 53.8407 43.2206 176.4582 44 G 3.9326 8.2211 106.3576 43.7078 0.0000 172.5060 45 P 4.2662 0.0000 0.0000 65.5569 31.1634 178.6668 46 R 4.0850 8.0194 116.8662 59.7579 29.8779 178.6742 47 C 4.2076 8.1601 117.3397 59.8035 43.1147 175.3466 48 I 3.6682 7.8101 121.1597 64.4617 36.6738 178.5845 49 K 4.0008 8.9192 119.9731 59.4328 31.8926 179.3618 50 A 4.4776 7.9676 122.3388 54.6314 18.2526 179.3333 51 F 4.1765 8.6378 119.5956 61.7884 39.4291 177.5997 52 T 3.9605 8.1859 115.1658 66.7666 68.3203 176.4979 53 E 3.9634 8.4777 120.8588 59.9023 29.4528 179.0664 54 C 4.2506 8.1111 116.2887 59.8695 41.4660 175.2264 55 C 4.2769 7.9638 121.5775 59.0240 43.4548 175.8900 56 V 3.4826 7.7476 119.6823 66.0281 31.0208 178.2094 57 V 3.5545 7.5826 117.4397 65.9274 31.3987 177.8522 58 A 3.9615 8.1738 120.7300 55.0951 18.1645 179.8635 59 S 4.0284 8.1843 113.7745 61.9594 62.9794 176.8865 60 Q 4.0351 8.1185 120.6084 58.7626 28.0230 179.1492 61 L 3.9487 7.6643 120.1015 58.0422 41.5786 179.8423 62 R 4.0300 7.8619 115.8901 58.6620 30.0412 178.7429 63 A 4.1668 8.0535 121.0668 55.0103 18.4416 179.2115 64 N 4.4291 8.0564 113.2664 55.4510 38.5644 175.9300 65 I 4.3889 6.9539 119.4858 61.2806 38.4703 175.8611 66 S 4.1776 7.7330 122.1671 58.9878 63.9820 174.0672 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 3 Q 8.20 4.34 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4 K 7.96 3.97 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.55 7.81 5 K 8.72 4.10 0.00 1.82 1.80 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.68 7.81 6 I 7.75 3.68 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 1.52 0.76 0.90 0.00 0.00 7 E 7.86 3.97 0.00 2.24 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 2.32 2.33 0.00 8 E 7.84 3.95 0.00 2.13 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 2.32 2.37 0.00 9 I 7.79 3.80 2.01 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 1.47 1.23 0.93 0.00 0.00 10 A 8.10 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 11 A 8.19 3.96 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 12 K 7.86 3.88 0.00 1.84 1.93 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.71 7.81 13 Y 7.97 4.00 0.00 3.13 3.23 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 14 K 8.70 3.71 0.00 1.97 1.87 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.77 7.81 15 H 8.98 4.18 0.00 3.19 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.81 3.89 0.00 4.07 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 17 V 7.47 3.36 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 0.85 0.00 0.00 0.37 0.00 0.00 18 V 7.47 3.57 2.18 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 0.94 0.00 0.00 0.95 0.00 0.00 19 K 7.99 3.88 0.00 1.83 1.84 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.44 7.81 20 K 8.17 4.02 0.00 1.93 1.87 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.58 7.81 21 C 8.34 4.47 0.00 3.06 3.42 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 22 C 8.26 4.30 0.00 3.02 3.32 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 23 Y 8.07 4.00 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 24 D 8.40 4.47 0.00 3.11 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.08 2.58 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 26 A 7.58 3.94 1.16 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 0.00 0.00 27 C 6.83 4.07 0.00 2.69 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 28 V 8.02 3.70 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 0.75 0.00 0.00 0.88 0.00 0.00 29 N 8.04 4.85 0.00 2.71 2.62 0.00 0.00 7.03 6.71 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 30 N 8.36 4.33 0.00 2.74 2.87 0.00 0.00 7.24 8.06 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 31 D 7.53 4.54 0.00 3.02 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 32 E 8.20 4.92 0.00 1.91 1.82 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 2.24 2.21 0.00 33 T 9.48 4.26 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 1.25 0.00 0.00 34 C 8.64 4.31 0.00 3.01 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 35 E 8.32 3.90 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 36 Q 7.61 4.00 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 37 R 8.21 4.07 0.00 2.17 2.14 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 38 A 8.52 3.57 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.57 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 40 R 7.61 4.06 0.00 1.85 1.95 0.00 3.15 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 41 I 6.98 3.66 1.81 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.09 0.83 0.00 0.00 42 S 8.47 4.59 0.00 3.92 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 43 L 7.55 4.32 0.00 1.63 1.68 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.22 3.93 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 0.00 45 P 0.00 4.27 0.00 2.17 2.13 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 46 R 8.02 4.08 0.00 1.88 1.94 0.00 3.15 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 47 C 8.16 4.21 0.00 3.02 3.23 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 48 I 7.81 3.67 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.92 0.00 0.00 49 K 8.92 4.00 0.00 1.75 2.05 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 50 A 7.97 4.48 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 51 F 8.64 4.18 0.00 3.21 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 52 T 8.19 3.96 4.43 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 1.26 0.00 0.00 53 E 8.48 3.96 0.00 1.97 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 2.34 2.43 0.00 54 C 8.11 4.25 0.00 3.01 3.06 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 0.00 0.00 0.00 55 C 7.96 4.28 0.00 2.43 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.75 3.48 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 0.92 0.00 0.00 0.96 0.00 0.00 57 V 7.58 3.55 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 0.93 0.00 0.00 0.97 0.00 0.00 58 A 8.17 3.96 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 59 S 8.18 4.03 0.00 4.06 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 60 Q 8.12 4.04 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 61 L 7.66 3.95 0.00 1.83 1.68 0.89 0.94 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 62 R 7.86 4.03 0.00 1.76 1.97 0.00 3.12 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 63 A 8.05 4.17 1.37 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 64 N 8.06 4.43 0.00 2.87 2.89 0.00 0.00 7.08 6.74 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 65 I 6.95 4.39 2.02 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 1.51 0.76 0.90 0.00 0.00 66 S 7.73 4.18 0.00 3.84 3.67 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 0.00 0.00 0.00 0.00