NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4765 8.1633 120.3249 55.7485 34.4321 177.4610 2 T 3.6664 7.9013 115.1935 65.9295 68.3107 174.8031 3 Q 3.9425 8.7841 122.3265 59.0652 29.5905 177.6613 4 L 4.0374 7.8136 119.6951 57.5975 41.7456 178.9949 5 E 3.8302 8.7579 119.0408 59.0997 29.2550 178.8432 6 E 3.8912 8.3436 119.5644 59.3569 29.7193 178.6401 7 Q 3.9185 7.7723 119.2611 59.0631 29.0341 177.8531 8 L 3.9229 7.9033 121.1964 58.7661 42.0511 178.7825 9 H 4.2836 8.5372 116.3472 58.8033 28.5877 177.3285 10 N 4.2883 8.5215 118.8065 56.5838 38.3574 177.5733 11 V 3.5916 7.9288 119.2492 65.9822 31.5936 177.8035 12 E 3.9532 8.4793 118.6431 59.7105 29.3016 179.4336 13 T 3.9281 8.1928 117.3295 66.0199 68.4954 176.6214 14 V 3.5888 7.7278 119.9380 66.2075 31.5332 178.1688 15 R 3.9191 8.2004 118.0395 59.2414 29.6488 179.1850 16 S 4.1154 8.2467 114.0514 61.6719 62.9392 176.6857 17 I 3.7474 7.9474 123.9369 64.0698 36.7495 178.5065 18 T 3.9608 8.2037 110.9075 65.0045 68.4781 176.5331 19 M 4.0548 8.0768 121.4675 58.3196 32.0471 178.6301 20 Q 4.0083 8.1142 118.1651 58.8812 28.8949 178.7645 21 L 3.9680 8.3832 121.6690 58.2328 41.6217 178.7390 22 E 4.0224 8.4109 118.6405 59.8658 29.4125 179.4028 23 M 4.0925 8.1504 118.3714 58.2453 32.0143 178.7666 24 A 3.9869 8.1238 120.9349 55.1004 18.5214 179.6006 25 L 3.9630 8.4412 117.9021 58.3269 41.7130 179.8863 26 T 3.8519 8.1051 115.6673 66.5027 68.4790 176.5962 27 K 3.9396 8.0387 121.4707 59.2478 32.0152 178.5398 28 L 4.0963 7.6897 119.4845 58.2859 42.2956 178.6655 29 K 4.0848 8.3382 119.6333 59.1937 32.0334 178.6199 30 K 3.9072 8.2032 120.1512 59.6325 31.9304 178.3348 31 D 4.3849 7.7197 117.4218 57.4555 41.0232 178.0434 32 M 3.9652 7.6530 116.7575 56.0526 32.0773 178.0561 33 M 4.0999 7.7086 119.5459 57.8752 32.1759 177.1329 34 R 4.3077 7.6654 114.9415 55.2072 31.1320 178.4150 35 G 3.4205 7.7153 107.1107 45.5644 0.0000 171.9498 36 G 4.1742 7.6083 111.7925 44.5608 0.0000 175.3247 37 D 4.3870 9.4340 125.2874 54.0122 41.5435 176.5412 38 A 4.1306 8.8661 129.2339 55.0829 18.6966 179.6596 39 K 4.0893 8.0885 114.5965 59.7868 32.9527 178.3884 40 Q 4.4780 8.3851 117.3350 55.7784 28.6193 176.4628 41 Y 4.6313 8.1301 125.9468 62.1259 38.7102 179.3508 42 Q 4.1721 8.0895 122.0017 59.4898 28.2953 180.1968 43 V 3.6967 7.6785 119.5220 65.7401 31.6123 177.9559 44 W 4.3081 8.1869 118.6747 59.9986 28.7842 178.4763 45 Q 3.9752 8.2446 117.9528 59.0519 28.1192 179.1663 46 R 3.9158 8.0872 119.0388 59.2869 30.0796 179.0392 47 E 3.9931 8.3269 118.4085 59.4124 29.4541 179.5362 48 S 4.1857 8.5534 115.7070 61.5006 62.8329 176.7375 49 K 3.9621 8.2551 122.1006 59.2763 31.9105 178.5887 50 A 3.9750 8.0781 121.1072 55.2936 18.2242 179.6952 51 L 3.9153 8.0764 117.3283 57.8602 41.7961 179.0232 52 E 3.9110 8.6166 119.7079 59.7763 29.4568 179.2759 53 S 4.1243 8.3974 114.8293 61.4375 62.8317 176.4947 54 A 4.0419 8.2334 123.6353 55.1274 18.0682 179.5949 55 I 3.6407 8.0292 118.2547 64.5818 37.2045 178.5665 56 A 4.0195 7.8625 121.2512 55.1614 18.1668 179.6522 57 I 3.6535 8.2103 118.7606 64.6083 37.1115 178.6256 58 I 3.7174 7.9447 120.5612 64.8397 37.0188 177.8378 59 H 4.2686 8.4210 120.3314 58.7564 29.3354 176.6776 60 Y 3.9673 7.9039 120.4402 60.6991 39.1186 177.6080 61 V 3.7215 8.2682 119.2148 66.0337 31.6687 177.8497 62 A 4.1093 8.4540 120.9526 55.0088 18.0154 179.8397 63 G 3.4708 8.0583 104.3627 47.9060 0.0000 175.5297 64 D 4.3696 7.5543 119.5379 56.2434 40.9327 177.7236 65 L 4.2121 7.2302 117.1927 54.7810 42.0001 176.8448 66 K 4.1493 7.5342 124.0082 56.5103 32.7036 175.9809 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 M 8.16 4.48 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 2 T 7.90 3.67 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 1.21 0.00 0.00 3 Q 8.78 3.94 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 4 L 7.81 4.04 0.00 1.84 1.67 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.76 3.83 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 6 E 8.34 3.89 0.00 2.11 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 0.00 2.31 2.33 0.00 7 Q 7.77 3.92 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 8 L 7.90 3.92 0.00 1.83 1.73 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.54 4.28 0.00 3.36 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.52 4.29 0.00 2.85 2.89 0.00 0.00 6.65 7.43 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 11 V 7.93 3.59 2.21 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 1.10 0.00 0.00 0.95 0.00 0.00 12 E 8.48 3.95 0.00 2.25 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 2.35 2.54 0.00 13 T 8.19 3.93 4.40 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 1.21 0.00 0.00 14 V 7.73 3.59 2.22 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 1.11 0.00 0.00 0.98 0.00 0.00 15 R 8.20 3.92 0.00 2.04 1.96 0.00 3.29 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 1.63 1.78 0.00 16 S 8.25 4.12 0.00 4.04 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 17 I 7.95 3.75 1.88 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 1.58 0.70 0.92 0.00 0.00 18 T 8.20 3.96 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 1.25 0.00 0.00 19 M 8.08 4.05 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.59 0.00 20 Q 8.11 4.01 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 21 L 8.38 3.97 0.00 1.80 1.84 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.41 4.02 0.00 2.24 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 2.37 2.65 0.00 23 M 8.15 4.09 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 24 A 8.12 3.99 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 25 L 8.44 3.96 0.00 1.86 1.75 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.11 3.85 4.42 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 1.21 0.00 0.00 27 K 8.04 3.94 0.00 1.96 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 28 L 7.69 4.10 0.00 1.70 1.87 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.34 4.08 0.00 1.88 2.03 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 30 K 8.20 3.91 0.00 1.95 1.96 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 31 D 7.72 4.38 0.00 2.90 2.69 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 32 M 7.65 3.97 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.79 0.00 33 M 7.71 4.10 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 34 R 7.67 4.31 0.00 1.69 1.87 0.00 3.45 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 35 G 7.72 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 0.00 0.00 0.00 36 G 7.61 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 37 D 9.43 4.39 0.00 2.87 2.72 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 38 A 8.87 4.13 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 39 K 8.09 4.09 0.00 1.87 2.00 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.46 7.81 40 Q 8.39 4.48 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 41 Y 8.13 4.63 0.00 3.18 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 42 Q 8.09 4.17 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.36 1.84 0.00 43 V 7.68 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 0.77 0.00 0.00 0.86 0.00 0.00 44 W 8.19 4.31 0.00 3.62 3.16 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 45 Q 8.24 3.98 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 46 R 8.09 3.92 0.00 1.95 1.94 0.00 3.25 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 47 E 8.33 3.99 0.00 2.18 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 2.26 2.38 0.00 48 S 8.55 4.19 0.00 4.07 3.94 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 0.00 0.00 0.00 0.00 49 K 8.26 3.96 0.00 1.97 1.95 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 50 A 8.08 3.97 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 51 L 8.08 3.92 0.00 1.90 1.75 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.62 3.91 0.00 2.08 2.21 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 2.31 2.38 0.00 53 S 8.40 4.12 0.00 4.12 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 54 A 8.23 4.04 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 55 I 8.03 3.64 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.92 0.00 0.00 56 A 7.86 4.02 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 57 I 8.21 3.65 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.85 0.93 0.00 0.00 58 I 7.94 3.72 2.07 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 1.43 0.85 0.95 0.00 0.00 59 H 8.42 4.27 0.00 3.48 3.56 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.90 3.97 0.00 3.13 3.19 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 0.00 61 V 8.27 3.72 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 0.97 0.00 0.00 1.13 0.00 0.00 62 A 8.45 4.11 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 63 G 8.06 3.47 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 0.00 64 D 7.55 4.37 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 65 L 7.23 4.21 0.00 1.72 1.68 0.91 1.23 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 66 K 7.53 4.15 0.00 1.72 2.14 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.42 7.81