NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 P 4.4018 0.0000 0.0000 62.0047 33.0589 177.0836 32 R 3.7089 8.5654 121.3384 58.7247 29.8670 177.6115 33 I 3.5326 7.8685 118.2133 63.8946 38.3846 177.4467 34 K 4.0415 7.7642 121.3441 58.7613 32.1150 178.4951 35 I 3.6512 7.4923 119.6917 64.5808 37.1098 178.3940 36 I 3.6494 7.8633 120.4685 64.3281 37.0696 178.4389 37 R 3.8118 7.8642 119.7461 59.6616 29.8579 178.8138 38 R 3.9521 8.0765 117.4878 59.1269 29.7736 178.9102 39 A 4.1167 7.9608 119.8473 54.4140 18.4730 178.6932 40 L 4.2880 7.8143 115.2005 53.9892 42.4877 176.6101 41 K 3.8925 7.8553 117.5472 57.6839 30.0971 175.1550 42 L 4.9712 7.6656 116.9737 52.9445 44.2424 177.8653 43 T 4.2580 8.8519 113.7156 61.2409 70.8716 175.8519 44 Q 4.0370 8.5615 119.8837 59.1756 28.6925 178.9787 45 E 3.9858 8.1925 118.9355 59.5506 29.5362 179.1629 46 E 3.9684 8.2218 118.4376 59.3626 29.5535 179.2516 47 F 4.0826 8.5192 120.7478 61.2697 39.4981 176.8140 48 S 4.4034 8.8845 114.3157 60.9172 61.9213 176.2097 49 A 3.9441 7.8266 121.7707 55.0643 18.2340 179.2811 50 R 3.7369 8.0949 116.7066 58.7190 30.1234 176.8477 51 Y 4.6679 7.4265 112.8573 57.1538 38.6138 175.0330 52 H 4.0237 8.2402 115.3523 57.2728 25.9005 174.9800 53 I 4.5051 7.5469 119.3407 58.6617 39.1811 174.2951 54 P 4.3408 0.0000 0.0000 62.5319 33.0072 177.1591 55 L 4.0428 8.5292 123.2025 58.1176 42.0805 179.6684 56 G 3.5039 7.8884 105.2286 48.1075 0.0000 175.4872 57 T 3.5705 7.5884 115.4393 64.1960 67.2564 175.6184 58 L 3.5491 7.4589 122.3634 58.3057 42.0724 179.3294 59 R 3.8867 7.9227 117.6780 59.2509 29.8719 178.7512 60 D 4.3905 8.2809 119.0920 57.2301 40.8670 178.9434 61 W 4.7308 8.1861 120.9528 59.5648 28.7045 178.5551 62 E 4.1038 8.6446 118.5506 58.8853 28.6692 178.3813 63 Q 4.5307 8.1551 115.5922 55.0527 29.1190 176.2615 64 G 3.9660 7.6517 107.5147 46.5086 0.0000 175.3156 65 R 4.1796 8.3232 120.4461 57.7426 30.3332 176.1688 66 S 4.6702 7.5765 110.8595 57.6888 65.5673 172.7989 67 E 4.5612 8.3738 119.0616 53.2310 32.6882 174.3606 68 P 3.4810 0.0000 0.0000 62.5605 31.6417 176.7163 69 D 4.6257 8.2863 121.2550 52.5938 42.0937 177.0275 70 Q 3.8740 8.4173 118.8064 59.0845 28.9736 176.2296 71 P 4.2700 0.0000 0.0000 65.4798 31.3015 178.4451 72 A 4.1828 8.4673 119.6745 55.2298 18.2981 179.9134 73 R 3.7038 8.1530 116.4833 59.2030 30.2171 179.0936 74 A 3.9954 8.1227 120.5793 55.2981 18.3707 178.9743 75 Y 4.3082 8.2898 118.1279 61.0793 38.8696 178.3621 76 L 3.7556 8.1948 120.0559 57.5930 41.6529 179.4513 77 K 3.9019 8.1239 119.6038 59.4779 32.0089 179.0285 78 I 3.7336 7.6283 119.9299 64.2051 37.1070 178.2693 79 I 3.4122 7.6322 120.5093 64.3264 36.6679 178.1048 80 A 4.0488 7.6690 119.9209 55.3976 18.2547 179.6032 81 V 3.8397 7.6904 115.4308 64.9812 33.0467 176.1269 82 D 4.7466 8.3183 118.3435 51.1264 41.9699 173.3381 83 P 4.4481 0.0000 0.0000 64.4605 31.6872 177.7835 84 E 4.1250 8.2152 117.1465 59.3390 29.6007 179.2851 85 G 4.2007 8.2503 106.5930 47.5905 0.0000 175.6767 86 T 3.9573 8.2746 118.0419 66.4062 68.3259 176.6028 87 A 3.8586 8.0369 121.0160 55.1314 18.7631 179.2309 88 A 4.0453 8.3995 119.3458 55.2618 18.2442 179.7126 89 A 4.0045 8.0331 118.3308 55.1159 18.5066 179.2924 90 L 4.1232 7.5757 115.9298 56.3150 41.9393 177.3375 91 R 4.1887 7.5272 122.1696 56.2220 30.1845 176.0556 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 31 P 0.00 4.40 0.00 2.21 2.10 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 32 R 8.57 3.71 0.00 1.85 1.93 0.00 3.07 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 33 I 7.87 3.53 1.97 0.00 0.00 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 1.22 1.36 1.05 0.00 0.00 34 K 7.76 4.04 0.00 1.83 1.89 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.34 7.81 35 I 7.49 3.65 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.56 0.88 0.00 0.00 36 I 7.86 3.65 1.89 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 1.37 0.90 0.97 0.00 0.00 37 R 7.86 3.81 0.00 0.93 1.62 0.00 3.33 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 38 R 8.08 3.95 0.00 1.96 1.95 0.00 3.15 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 39 A 7.96 4.12 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 L 7.81 4.29 0.00 1.98 1.87 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.86 3.89 0.00 1.95 1.91 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 42 L 7.67 4.97 0.00 1.91 1.75 1.19 0.81 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 T 8.85 4.26 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 1.26 0.00 0.00 44 Q 8.56 4.04 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 45 E 8.19 3.99 0.00 2.07 2.01 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 2.41 2.48 0.00 46 E 8.22 3.97 0.00 2.24 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 2.34 2.34 0.00 47 F 8.52 4.08 0.00 3.27 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 48 S 8.88 4.40 0.00 4.01 4.12 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 49 A 7.83 3.94 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 50 R 8.09 3.74 0.00 1.56 1.27 0.00 2.81 0.00 0.00 2.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 51 Y 7.43 4.67 0.00 2.73 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 52 H 8.24 4.02 0.00 3.35 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.55 4.51 2.06 0.00 0.00 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 1.66 1.77 0.71 0.00 0.00 54 P 0.00 4.34 0.00 2.06 1.93 0.00 3.49 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 2.08 2.13 0.00 55 L 8.53 4.04 0.00 1.73 1.63 0.93 1.02 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 56 G 7.89 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.59 3.57 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 0.73 0.00 0.00 58 L 7.46 3.55 0.00 1.64 1.77 1.13 0.78 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 59 R 7.92 3.89 0.00 2.00 2.10 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 60 D 8.28 4.39 0.00 2.73 2.79 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 61 W 8.19 4.73 0.00 3.49 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 62 E 8.64 4.10 0.00 2.02 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 2.33 2.55 0.00 63 Q 8.16 4.53 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 64 G 7.65 3.97 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 0.00 0.00 0.00 65 R 8.32 4.18 0.00 1.94 2.03 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 66 S 7.58 4.67 0.00 4.12 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 67 E 8.37 4.56 0.00 1.86 1.69 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 2.14 2.25 0.00 68 P 0.00 3.48 0.00 1.52 0.49 0.00 3.31 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.00 69 D 8.29 4.63 0.00 2.98 2.91 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 70 Q 8.42 3.87 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 71 P 0.00 4.27 0.00 2.23 2.09 0.00 3.94 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 72 A 8.47 4.18 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 73 R 8.15 3.70 0.00 1.93 1.91 0.00 3.03 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.79 0.00 74 A 8.12 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.29 4.31 0.00 3.09 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 76 L 8.19 3.76 0.00 1.79 1.63 0.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.12 3.90 0.00 1.81 1.97 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 78 I 7.63 3.73 2.05 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 1.84 0.93 0.96 0.00 0.00 79 I 7.63 3.41 1.63 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.52 0.15 0.00 0.00 80 A 7.67 4.05 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 81 V 7.69 3.84 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 0.83 0.00 0.00 0.99 0.00 0.00 82 D 8.32 4.75 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.29 2.15 0.00 3.95 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 84 E 8.22 4.12 0.00 2.01 2.01 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 2.44 2.34 0.00 85 G 8.25 4.20 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 0.00 0.00 0.00 86 T 8.27 3.96 4.44 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 1.43 0.00 0.00 87 A 8.04 3.86 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 8.40 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.12 0.00 1.66 1.56 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.53 4.19 0.00 1.94 1.81 0.00 3.17 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00