NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Y 4.6776 8.1449 121.6857 57.8957 38.6273 174.0925 9 V 3.7389 8.0060 116.0933 58.9064 32.3507 174.5763 10 A 4.2548 5.8040 127.9763 51.1744 21.4517 175.1853 11 P 4.8733 0.0000 0.0000 62.5125 33.3964 175.4962 12 T 4.5411 8.4770 111.9535 63.9474 70.4957 174.4850 13 N 4.9489 7.9005 117.2815 50.6102 44.3200 175.2065 14 A 4.6822 8.5540 125.8810 54.0319 18.4685 180.4344 15 V 3.5747 7.6728 117.0290 66.2423 31.6940 177.8433 16 E 4.0317 8.1327 117.5214 58.9079 29.3140 179.2823 17 S 4.1564 8.0839 115.8041 61.4832 62.9155 176.5202 18 K 3.9699 8.2865 122.1065 59.6701 32.1473 178.8444 19 L 4.2354 8.1163 118.8242 57.3576 41.4897 179.6973 20 A 3.7761 8.1087 121.3529 55.3660 18.4344 179.0122 21 E 3.9395 8.2780 117.1366 59.3709 29.4903 179.0592 22 I 3.7089 8.1823 118.2523 64.4506 38.1086 177.4908 23 W 4.3176 8.5259 119.5927 60.2765 28.9959 178.4738 24 E 4.0977 8.5970 117.0229 59.9384 29.0227 178.1327 25 R 4.0837 8.3503 120.5493 58.4556 29.8973 178.2043 26 V 3.6072 8.2376 120.9377 65.8055 31.9372 177.6857 27 L 4.1147 8.0202 118.1297 55.0271 41.8170 177.3551 28 G 3.7684 7.9071 106.3051 46.3724 0.0000 173.5497 29 V 4.3046 7.4974 120.1753 61.1218 33.6055 176.0348 30 S 4.4571 8.6187 113.3449 55.0742 61.6457 171.0034 31 G 3.7265 9.3711 114.5784 41.0000 0.0000 169.4021 32 I 3.2101 7.4097 128.4935 59.7330 38.2025 175.1705 33 G 3.8798 7.6237 112.5736 45.8568 0.0000 173.6859 34 I 3.9255 7.6855 119.4080 62.2246 39.8709 176.5512 35 L 4.9849 7.2421 120.9558 54.6761 42.5880 177.6232 36 D 4.6189 7.4834 118.2070 53.8671 41.3189 174.9834 37 N 5.1752 8.5378 116.4717 52.2222 41.2960 175.2690 38 F 3.3218 8.3310 123.5946 59.7726 39.3427 176.1101 39 F 5.1995 7.9766 122.1772 57.8419 39.3446 175.9191 40 Q 4.1025 8.1606 119.3083 56.2198 29.7636 176.5443 41 I 4.8676 6.4705 126.8026 61.3544 40.3877 171.6355 42 G 4.2847 6.9141 118.0320 44.2992 0.0000 174.4234 43 G 4.0934 9.4608 110.7771 46.2301 0.0000 173.6516 44 H 4.1107 8.9739 122.4562 55.5656 28.0334 174.5287 45 S 4.5060 8.0526 110.2534 58.1418 63.3783 174.9392 46 L 3.9192 7.9336 122.2720 59.1018 41.5790 178.0245 47 K 3.9772 8.0129 118.4331 58.4226 32.0478 178.3857 48 A 3.3694 7.6230 120.0760 55.4678 18.1065 178.9032 49 M 3.6116 7.7007 116.0027 58.9529 32.1746 177.9829 50 A 3.8852 7.7591 120.5319 55.4415 18.4232 179.7152 51 V 3.5237 7.5657 116.0260 66.2685 31.7665 178.1028 52 A 4.0376 7.9097 120.1518 55.1662 18.0608 179.4793 53 A 4.0041 8.2263 119.6859 55.1918 18.4089 179.6032 54 Q 3.9543 8.2406 118.3945 59.2568 29.0450 178.6066 55 V 3.8840 7.9148 119.4037 65.8582 31.3537 177.4649 56 H 4.9326 7.8248 118.6149 58.3141 29.7642 177.1788 57 R 4.1307 7.9750 119.3140 59.1727 30.2121 178.3965 58 E 3.8023 7.7646 116.9847 58.0783 29.7307 176.8588 59 Y 4.9722 7.0286 114.3735 56.6585 42.3405 174.7674 60 Q 4.3466 8.5519 119.3605 55.7808 29.2806 176.5049 61 V 4.0858 7.5359 116.4041 60.4078 33.1899 176.0049 62 E 4.2301 8.5965 123.1275 55.6257 28.2432 175.3480 63 L 4.4845 8.0129 127.6785 51.6301 42.5021 174.6488 64 P 4.6301 0.0000 0.0000 61.3222 34.1621 177.0153 65 L 3.9184 8.2639 117.0362 57.9237 41.4991 179.7944 66 K 4.1414 8.1597 117.9152 59.4697 31.9506 179.2991 67 V 3.5360 7.5552 118.1952 65.5037 31.6415 177.5841 68 L 3.9120 7.7288 119.7557 57.3507 41.5694 178.6003 69 F 4.1940 7.9750 116.8285 59.8463 39.2527 177.4843 70 A 4.3440 8.1494 120.0233 53.9985 19.5644 178.0396 71 Q 4.6133 7.9533 114.5016 54.6782 29.5431 174.4317 72 P 5.3688 0.0000 0.0000 61.7767 30.9688 174.7968 73 T 4.7550 7.5167 113.8549 60.6978 71.2699 173.9886 74 I 3.2619 7.0936 123.1827 63.8185 36.8749 178.6148 75 K 3.8203 7.8328 120.3553 59.4677 32.0403 178.8584 76 A 4.1037 7.8982 120.5936 55.1356 18.3264 179.2685 77 L 4.0991 8.2671 117.5597 57.8852 41.8274 179.2590 78 A 4.0125 8.3837 120.8361 55.4235 18.2032 179.3727 79 Q 3.9088 8.3045 117.9649 59.1304 28.9626 177.3893 80 Y 3.8219 8.0742 120.1172 60.9006 38.8382 177.0138 81 V 3.7897 8.0876 118.6044 63.7126 31.6602 177.1278 82 A 3.9528 7.9358 124.5859 55.5931 18.5803 177.5829 83 T 4.0049 7.7818 117.8568 64.2291 69.9898 173.3632 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 8 Y 8.14 4.68 0.00 2.86 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 9 V 8.01 3.74 1.95 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 0.73 0.00 0.00 0.82 0.00 0.00 10 A 5.80 4.25 1.11 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 0.00 0.00 11 P 0.00 4.87 0.00 2.24 2.26 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 12 T 8.48 4.54 4.37 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 1.20 0.00 0.00 13 N 7.90 4.95 0.00 2.88 2.63 0.00 0.00 6.71 8.31 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 14 A 8.55 4.68 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 15 V 7.67 3.57 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 0.91 0.00 0.00 0.88 0.00 0.00 16 E 8.13 4.03 0.00 2.13 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 2.47 2.37 0.00 17 S 8.08 4.16 0.00 4.06 3.96 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 0.00 0.00 0.00 18 K 8.29 3.97 0.00 1.99 1.99 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.61 7.81 19 L 8.12 4.24 0.00 1.92 1.70 1.16 1.20 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 20 A 8.11 3.78 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 21 E 8.28 3.94 0.00 2.20 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 2.39 2.38 0.00 22 I 8.18 3.71 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 1.14 0.00 0.00 23 W 8.53 4.32 0.00 3.60 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 24 E 8.60 4.10 0.00 2.42 2.30 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 2.50 2.38 0.00 25 R 8.35 4.08 0.00 1.94 2.03 0.00 3.13 0.00 0.00 3.11 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 26 V 8.24 3.61 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 0.77 0.00 0.00 0.93 0.00 0.00 27 L 8.02 4.11 0.00 1.80 1.62 0.22 0.67 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 28 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 29 V 7.50 4.30 2.14 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 0.89 0.00 0.00 1.02 0.00 0.00 30 S 8.62 4.46 0.00 3.83 3.72 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 31 G 9.37 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 32 I 7.41 3.21 1.70 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.52 0.88 0.00 0.00 33 G 7.62 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 34 I 7.69 3.93 1.78 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.88 0.00 0.00 35 L 7.24 4.98 0.00 1.55 1.60 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.48 4.62 0.00 2.41 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 37 N 8.54 5.18 0.00 2.82 2.76 0.00 0.00 6.91 8.23 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 38 F 8.33 3.32 0.00 2.93 2.88 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 39 F 7.98 5.20 0.00 2.91 3.11 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 40 Q 8.16 4.10 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.38 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 41 I 6.47 4.87 1.77 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 1.30 0.44 0.87 0.00 0.00 42 G 6.91 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 0.00 0.00 0.00 0.00 43 G 9.46 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 44 H 8.97 4.11 0.00 3.30 3.31 0.00 5.67 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 45 S 8.05 4.51 0.00 3.84 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 46 L 7.93 3.92 0.00 1.67 1.63 0.87 0.57 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 47 K 8.01 3.98 0.00 1.83 1.67 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.54 7.81 48 A 7.62 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 M 7.70 3.61 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 50 A 7.76 3.89 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 51 V 7.57 3.52 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 1.51 0.00 0.00 0.86 0.00 0.00 52 A 7.91 4.04 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 53 A 8.23 4.00 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 54 Q 8.24 3.95 0.00 2.21 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 55 V 7.91 3.88 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 1.27 0.00 0.00 1.16 0.00 0.00 56 H 7.82 4.93 0.00 3.25 3.42 0.00 5.84 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.98 4.13 0.00 1.76 1.92 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 58 E 7.76 3.80 0.00 1.16 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 2.12 2.13 0.00 59 Y 7.03 4.97 0.00 3.05 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 60 Q 8.55 4.35 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 61 V 7.54 4.09 2.14 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 1.00 0.00 0.00 1.04 0.00 0.00 62 E 8.60 4.23 0.00 2.02 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 0.00 2.36 2.35 0.00 63 L 8.01 4.48 0.00 1.67 1.56 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.63 0.00 2.30 2.20 0.00 3.60 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 2.04 2.07 0.00 65 L 8.26 3.92 0.00 1.74 1.97 0.83 0.81 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 66 K 8.16 4.14 0.00 1.82 1.90 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 67 V 7.56 3.54 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 -0.12 0.00 0.00 0.76 0.00 0.00 68 L 7.73 3.91 0.00 1.55 1.24 0.63 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.97 4.19 0.00 3.25 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 70 A 8.15 4.34 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 71 Q 7.95 4.61 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 8.02 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 72 P 0.00 5.37 0.00 2.60 2.49 0.00 4.00 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 2.22 2.15 0.00 73 T 7.52 4.76 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 74 I 7.09 3.26 1.23 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.37 0.00 0.00 75 K 7.83 3.82 0.00 1.71 1.74 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 76 A 7.90 4.10 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 77 L 8.27 4.10 0.00 2.12 1.93 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.38 4.01 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 79 Q 8.30 3.91 0.00 2.17 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 80 Y 8.07 3.82 0.00 3.25 3.11 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 81 V 8.09 3.79 1.61 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 0.75 0.00 0.00 0.99 0.00 0.00 82 A 7.94 3.95 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 83 T 7.78 4.00 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 1.16 0.00 0.00