NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3424 8.2649 123.5788 51.9901 20.4299 176.9035 2 K 4.4618 8.0044 115.7055 57.4164 32.7350 174.9842 3 Q 4.4115 7.8169 116.8854 53.5684 32.6185 175.9593 4 D 3.6333 8.2186 121.5723 54.5273 41.5653 174.5921 5 Y 4.8611 7.9164 111.2578 58.9412 41.7007 177.2732 6 Y 4.5621 8.7598 117.8950 59.9128 38.5365 177.7141 7 E 3.2514 7.0846 119.4428 57.8462 29.9034 178.5512 8 I 3.6066 6.8399 117.9181 63.9245 37.2048 176.4829 9 L 4.5840 7.5052 118.2121 54.0541 41.9487 177.0002 10 G 4.1746 9.0516 105.9022 45.5384 0.0000 174.0089 11 V 4.3903 7.2960 127.5053 62.6512 32.7525 175.9973 12 S 4.8427 8.7539 110.1422 56.5828 65.1927 174.2170 13 K 4.4864 8.6824 121.7026 57.1504 31.6468 177.2653 14 T 4.0828 7.3467 106.0796 61.9924 69.7537 175.7310 15 A 4.5090 7.5773 123.7148 52.5564 19.4123 175.1852 16 E 4.9454 8.0309 116.6695 55.4542 32.0738 177.1628 17 E 4.2388 9.2879 129.1472 59.4330 28.8778 177.3967 18 R 4.0047 7.6805 116.0010 59.3483 29.1032 177.5884 19 E 4.4935 8.0598 118.8787 57.7673 30.3901 177.6875 20 I 4.0359 7.4210 119.9607 63.6569 35.5454 177.9387 21 R 4.3041 9.1933 117.9766 57.5188 29.7004 177.7971 22 K 4.4848 7.5573 119.7160 57.2661 32.9975 178.0170 23 A 4.0578 9.5502 121.4474 55.0240 18.6301 178.7671 24 Y 3.7243 7.9968 118.1123 60.7980 38.8573 178.3823 25 K 4.0414 7.8729 119.9150 59.3570 32.1276 178.8270 26 R 3.8602 8.0165 118.4768 58.9692 30.2160 177.6045 27 L 4.1828 8.3357 119.8309 57.0510 42.1438 178.3736 28 A 4.1519 7.9886 120.9019 54.7105 18.2211 178.8848 29 M 3.7427 7.7401 117.1888 59.1154 31.9770 178.5229 30 K 3.6081 6.8705 116.0097 58.7360 32.0678 177.1043 31 Y 4.7348 6.6649 112.8210 58.2451 40.3720 174.7131 32 H 4.2695 9.6967 118.2914 54.5554 26.4840 173.3414 33 P 4.3057 0.0000 0.0000 65.1856 31.5652 177.6413 34 D 4.5048 8.0865 118.1112 56.6816 41.0781 177.3316 35 R 4.4628 7.9123 112.6813 56.7110 31.4219 175.7648 36 N 4.8628 7.8745 116.8773 53.3918 38.6860 176.1806 37 Q 4.3179 8.0641 115.8419 56.5613 29.2879 178.5576 38 G 3.8268 8.0058 107.5799 47.7692 0.0000 173.9970 39 D 4.4505 7.6113 115.5142 53.9536 43.8003 176.9937 40 K 3.9254 8.2030 114.9325 56.8791 30.6906 176.8351 41 E 4.0214 7.8249 117.6529 58.3817 29.3113 178.5596 42 A 4.0003 7.8554 121.8686 54.4879 18.0769 178.5545 43 E 3.2519 7.9696 118.2283 59.5488 29.0553 179.1791 44 A 3.8487 7.5688 119.0985 54.7661 18.1227 179.1771 45 K 3.6825 7.9694 118.2117 59.9616 31.9044 178.6055 46 F 4.7617 7.8572 117.8648 60.3728 38.6037 177.1354 47 K 4.1212 9.2543 117.3690 58.7836 32.4954 178.2196 48 E 4.3442 9.3078 120.0776 57.9834 30.0811 177.2423 49 I 4.3285 7.4053 117.9870 62.7602 38.4966 177.7676 50 K 3.7557 8.7167 120.8087 58.8023 31.7861 178.1194 51 E 3.9521 8.2754 118.0045 57.8820 30.0677 177.4331 52 A 4.5745 7.9334 120.6911 54.8499 19.1915 178.4146 53 Y 4.3996 9.1378 115.3468 58.4000 37.8967 177.3003 54 E 3.7775 7.9485 121.3359 58.4070 30.1904 177.7014 55 V 4.0985 7.1415 109.9759 60.7375 32.3623 176.9244 56 L 3.9916 7.1644 118.8405 56.2480 41.5387 178.1339 57 T 4.1304 7.4112 112.2036 62.0475 68.6139 173.2557 58 D 4.7679 7.3509 120.1123 52.9153 43.5697 175.3937 59 S 4.5555 8.3389 112.4567 60.0974 64.6410 175.8764 60 Q 4.0050 8.1210 121.3731 58.9172 27.3026 179.0604 61 K 4.1573 7.9361 119.4740 59.0830 32.5300 178.9753 62 R 4.2990 7.8007 118.1734 59.2847 29.7130 178.2780 63 A 4.5912 8.0393 118.3404 53.6544 19.5436 178.7423 64 A 4.4133 7.5797 118.3372 55.2441 18.9091 179.3883 65 Y 4.8414 9.6561 118.4753 59.6049 37.8647 177.5781 66 D 3.6423 7.5451 119.5502 54.5003 39.6334 176.7628 67 Q 4.4398 7.5483 115.3421 57.4331 33.8493 174.9609 68 Y 4.4302 8.9159 116.2031 59.6744 40.1123 180.0463 69 G 3.8715 8.2370 112.1154 46.9954 0.0000 175.1367 70 H 5.1225 9.1784 121.4617 54.7473 29.8001 171.1735 71 A 3.7799 8.5610 126.3017 52.5438 16.3080 178.7619 72 A 4.0179 7.8481 121.5980 56.6594 18.4373 179.8510 73 F 4.2504 8.1328 120.7351 55.5482 38.9686 174.7441 74 E 4.3888 8.1397 125.4090 54.8163 31.5017 174.3747 75 Q 4.2590 8.9597 127.5968 57.7180 30.1119 176.8992 76 G 4.2200 7.6410 103.8480 44.6730 0.0000 172.4670 77 G 3.6991 8.0637 111.8559 45.5671 0.0000 173.6236 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 A 8.26 4.34 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 2 K 8.00 4.46 0.00 1.75 1.71 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.49 7.81 3 Q 7.82 4.41 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 4 D 8.22 3.63 0.00 2.38 2.38 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 5 Y 7.92 4.86 0.00 3.39 3.09 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 6 Y 8.76 4.56 0.00 3.38 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 7 E 7.08 3.25 0.00 1.25 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 0.00 1.47 1.98 0.00 8 I 6.84 3.61 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.99 0.00 0.00 9 L 7.51 4.58 0.00 1.68 1.72 1.19 1.04 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 10 G 9.05 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.30 4.39 2.57 0.00 0.00 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 1.13 0.00 0.00 12 S 8.75 4.84 0.00 3.90 3.79 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 0.00 0.00 0.00 0.00 13 K 8.68 4.49 0.00 1.60 0.74 0.00 1.43 0.00 0.00 1.09 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.89 1.22 7.81 14 T 7.35 4.08 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 A 7.58 4.51 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 16 E 8.03 4.95 0.00 1.95 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 2.25 2.25 0.00 17 E 9.29 4.24 0.00 1.91 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 0.00 2.20 2.19 0.00 18 R 7.68 4.00 0.00 2.09 2.22 0.00 3.02 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 19 E 8.06 4.49 0.00 2.10 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 0.00 2.38 2.43 0.00 20 I 7.42 4.04 2.19 0.00 0.00 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 1.61 0.70 0.80 0.00 0.00 21 R 9.19 4.30 0.00 1.93 2.28 0.00 2.75 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 22 K 7.56 4.48 0.00 2.18 1.86 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.60 7.81 23 A 9.55 4.06 1.54 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 24 Y 8.00 3.72 0.00 2.99 3.10 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 0.00 0.00 0.00 25 K 7.87 4.04 0.00 2.09 2.01 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 26 R 8.02 3.86 0.00 1.89 2.00 0.00 3.32 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 27 L 8.34 4.18 0.00 1.88 1.64 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.99 4.15 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 29 M 7.74 3.74 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 30 K 6.87 3.61 0.00 1.18 0.74 0.00 1.35 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.23 7.81 31 Y 6.66 4.73 0.00 3.04 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 32 H 9.70 4.27 0.00 3.41 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.31 0.00 2.05 2.04 0.00 3.79 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.40 0.00 34 D 8.09 4.50 0.00 2.63 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 35 R 7.91 4.46 0.00 1.95 2.04 0.00 3.09 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 36 N 7.87 4.86 0.00 3.19 2.86 0.00 0.00 6.91 6.62 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 37 Q 8.06 4.32 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 38 G 8.01 3.83 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 0.00 0.00 0.00 39 D 7.61 4.45 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.93 0.00 2.01 1.85 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.44 7.81 41 E 7.82 4.02 0.00 2.15 2.28 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 2.28 2.29 0.00 42 A 7.86 4.00 1.28 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 43 E 7.97 3.25 0.00 1.92 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 0.00 2.26 2.26 0.00 44 A 7.57 3.85 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 45 K 7.97 3.68 0.00 1.79 1.79 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.84 1.27 7.81 46 F 7.86 4.76 0.00 3.21 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 47 K 9.25 4.12 0.00 1.96 2.03 0.00 1.52 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 48 E 9.31 4.34 0.00 2.11 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 0.00 2.29 2.40 0.00 49 I 7.41 4.33 1.37 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 1.32 0.87 0.32 0.00 0.00 50 K 8.72 3.76 0.00 1.68 1.95 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.59 7.81 51 E 8.28 3.95 0.00 2.03 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 2.35 2.49 0.00 52 A 7.93 4.57 1.68 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 0.00 0.00 53 Y 9.14 4.40 0.00 3.26 3.30 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 54 E 7.95 3.78 0.00 2.00 2.28 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 2.32 2.31 0.00 55 V 7.14 4.10 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 0.94 0.00 0.00 -0.17 0.00 0.00 56 L 7.16 3.99 0.00 1.69 1.68 1.18 0.59 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 57 T 7.41 4.13 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 0.95 0.00 0.00 58 D 7.35 4.77 0.00 2.59 2.46 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 59 S 8.34 4.56 0.00 4.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 4.01 0.00 2.28 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 61 K 7.94 4.16 0.00 1.71 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.61 7.81 62 R 7.80 4.30 0.00 2.08 2.09 0.00 3.12 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 63 A 8.04 4.59 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 64 A 7.58 4.41 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 65 Y 9.66 4.84 0.00 3.13 3.28 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 66 D 7.55 3.64 0.00 3.06 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 67 Q 7.55 4.44 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.58 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 68 Y 8.92 4.43 0.00 3.19 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 69 G 8.24 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 70 H 9.18 5.12 0.00 3.23 3.26 0.00 6.08 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.56 3.78 1.28 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 72 A 7.85 4.02 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.13 4.25 0.00 3.23 2.90 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 0.00 0.00 0.00 74 E 8.14 4.39 0.00 1.97 1.75 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 2.15 2.31 0.00 75 Q 8.96 4.26 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 76 G 7.64 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 0.00 0.00 0.00 0.00 77 G 8.06 3.70 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 0.00 0.00 0.00