NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5510 0.0000 0.0000 62.9598 33.5671 174.7178 3 M 5.2837 8.5750 119.2307 53.3253 35.2970 173.4896 4 I 4.8320 9.1426 124.8988 59.4247 41.0843 174.4383 5 S 5.2158 8.8432 119.8895 56.6795 66.2485 172.9449 6 C 4.8187 9.2585 122.3674 57.9860 34.3317 172.1159 7 D 5.5665 8.8229 126.9370 53.3555 41.9174 175.8337 8 M 4.3956 9.0063 119.5501 53.7896 34.9487 174.4077 9 R 4.2163 7.5293 118.5222 56.5594 30.8403 176.1830 10 Y 4.0223 8.5469 123.1904 58.3498 39.0730 174.6602 11 G 3.8900 7.7886 113.7350 46.0330 0.0000 175.2651 12 R 3.9359 7.2870 118.8640 56.2496 30.6547 177.1409 13 T 4.2793 8.8710 113.3453 60.9940 71.3913 175.7523 14 D 4.3749 8.5607 122.5162 57.8907 40.7320 179.5250 15 E 3.9709 8.0499 118.4955 61.1585 29.8254 181.6857 16 Q 4.1740 7.9359 119.2617 58.7731 28.8261 179.0790 17 K 3.9443 8.1493 119.4664 59.7378 31.9516 179.6596 18 R 3.9885 8.3504 118.1844 59.0274 29.9284 178.8484 19 A 4.0794 8.1546 120.5818 54.3281 18.3372 179.5569 20 L 3.8426 7.9890 119.6271 58.4056 42.2914 179.3064 21 S 3.7246 8.2158 114.0619 61.1439 62.9797 176.1665 22 A 3.9907 7.8357 124.5273 54.8129 18.2845 179.7820 23 G 3.4952 8.0643 104.0696 48.0301 0.0000 175.7737 24 L 3.8491 7.9185 122.3223 57.4015 41.5944 179.7475 25 L 4.0074 8.3463 118.8390 57.1072 41.3904 179.6300 26 R 3.8312 7.6362 118.7264 59.5308 30.1607 178.9269 27 V 3.6274 7.6094 111.9616 64.3033 31.4409 178.7560 28 I 3.6958 7.7211 119.7140 64.3011 36.8606 178.5624 29 S 4.6787 7.8366 117.2173 61.3964 62.5330 176.7340 30 E 3.6928 8.3237 119.7210 59.1364 29.1792 178.8665 31 A 4.2258 7.7914 119.8829 54.5466 18.9953 178.9273 32 T 4.2441 8.3569 113.1347 63.6887 69.2763 176.0662 33 G 4.0101 8.7970 109.4333 45.0730 0.0000 173.6793 34 E 4.0022 7.8766 120.8327 55.4693 30.4151 174.5429 35 P 4.8957 0.0000 0.0000 62.2298 33.0963 177.8011 36 R 3.9442 8.6462 118.9018 59.9394 29.2939 178.6227 37 E 4.2044 8.2062 112.0022 58.2544 29.8662 180.4061 38 N 4.9377 8.0763 112.6277 53.4107 38.9239 174.1369 39 I 4.7620 7.5953 119.6261 59.5056 39.3971 174.7140 40 F 5.0612 9.1779 129.7345 56.4036 41.7396 174.0230 41 F 5.4233 7.7645 126.9312 56.2497 42.4184 173.9677 42 V 3.9937 8.1727 124.5146 59.6825 34.6188 174.2525 43 I 4.6735 7.8656 123.4698 59.5198 39.7333 175.0660 44 R 4.6330 9.2064 125.0477 54.5671 32.9058 174.6357 45 E 5.7191 8.2042 123.0359 54.4710 32.3891 175.2982 46 G 4.4334 8.3563 106.7206 45.5894 0.0000 173.1496 47 S 5.0205 8.6716 115.9741 57.1780 64.3779 175.3411 48 G 4.2446 9.2160 109.1346 48.1234 0.0000 175.8833 49 I 3.8187 7.8683 118.7062 63.7131 38.0640 176.0021 50 N 4.6457 8.2641 115.4645 53.4957 38.7313 174.5625 51 F 4.5620 8.5559 118.8738 55.3849 41.2595 174.2669 52 V 4.6898 8.4401 125.3380 61.0519 33.0457 174.3616 53 E 4.6719 8.7464 126.6095 56.0586 32.6788 175.7351 54 H 3.9926 9.5353 118.0460 57.1195 26.4943 174.5808 55 G 4.0299 8.2719 100.6169 45.8985 0.0000 174.0582 56 E 4.7244 7.9713 116.8389 54.8513 34.1661 175.1384 57 H 4.7454 8.8040 120.9810 55.9005 29.8441 175.0697 58 L 4.6183 8.8146 124.0651 53.5542 43.0462 174.9657 59 P 4.9041 0.0000 0.0000 62.2499 32.5926 175.6086 60 D 4.6200 8.5901 120.1543 54.5532 41.3394 176.2491 61 Y 4.1955 8.6110 122.9014 57.7317 39.6908 175.8271 62 V 3.7610 6.6336 123.5802 63.0633 31.8608 174.7672 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 2 P 0.00 4.55 0.00 2.16 2.27 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 3 M 8.57 5.28 0.00 2.21 2.10 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 2.70 2.84 0.00 4 I 9.14 4.83 1.93 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 1.19 0.67 0.91 0.00 0.00 5 S 8.84 5.22 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 9.26 4.82 0.00 3.26 2.95 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 0.00 0.00 0.00 0.00 7 D 8.82 5.57 0.00 2.72 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 8 M 9.01 4.40 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 9 R 7.53 4.22 0.00 1.43 1.84 0.00 3.37 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.00 10 Y 8.55 4.02 0.00 3.02 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 11 G 7.79 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 0.00 0.00 0.00 12 R 7.29 3.94 0.00 1.48 1.69 0.00 2.75 0.00 0.00 2.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 13 T 8.87 4.28 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 1.22 0.00 0.00 14 D 8.56 4.37 0.00 2.73 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 15 E 8.05 3.97 0.00 1.97 1.96 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 2.31 1.97 0.00 16 Q 7.94 4.17 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 K 8.15 3.94 0.00 1.92 1.85 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.65 7.81 18 R 8.35 3.99 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 19 A 8.15 4.08 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 20 L 7.99 3.84 0.00 1.97 1.90 1.09 0.62 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 21 S 8.22 3.72 0.00 4.22 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 0.00 22 A 7.84 3.99 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 23 G 8.06 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 24 L 7.92 3.85 0.00 1.51 1.25 0.76 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.35 4.01 0.00 1.77 1.67 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.64 3.83 0.00 2.00 1.99 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 27 V 7.61 3.63 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 0.85 0.00 0.00 0.97 0.00 0.00 28 I 7.72 3.70 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.42 0.90 0.00 0.00 29 S 7.84 4.68 0.00 4.10 3.90 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 30 E 8.32 3.69 0.00 1.89 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 2.44 0.00 31 A 7.79 4.23 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 32 T 8.36 4.24 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 1.25 0.00 0.00 33 G 8.80 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 0.00 0.00 0.00 34 E 7.88 4.00 0.00 2.06 1.83 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 2.39 2.37 0.00 35 P 0.00 4.90 0.00 2.26 2.17 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 36 R 8.65 3.94 0.00 1.76 1.99 0.00 3.25 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.21 0.00 37 E 8.21 4.20 0.00 1.98 1.90 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 2.23 1.90 0.00 38 N 8.08 4.94 0.00 2.83 2.87 0.00 0.00 6.81 7.04 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 39 I 7.60 4.76 1.89 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 1.13 0.76 0.91 0.00 0.00 40 F 9.18 5.06 0.00 3.17 2.98 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 0.00 0.00 0.00 41 F 7.76 5.42 0.00 2.69 2.67 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 42 V 8.17 3.99 1.99 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 0.86 0.00 0.00 0.87 0.00 0.00 43 I 7.87 4.67 1.63 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 0.99 -0.29 0.81 0.00 0.00 44 R 9.21 4.63 0.00 1.82 1.84 0.00 3.45 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 45 E 8.20 5.72 0.00 2.01 2.09 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 2.19 2.13 0.00 46 G 8.36 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 0.00 0.00 0.00 0.00 47 S 8.67 5.02 0.00 4.36 4.08 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 0.00 0.00 0.00 48 G 9.22 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 0.00 0.00 0.00 0.00 49 I 7.87 3.82 1.92 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 1.42 0.77 0.96 0.00 0.00 50 N 8.26 4.65 0.00 2.92 2.65 0.00 0.00 6.79 7.53 0.00 0.00 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 8.56 4.56 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.44 4.69 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 0.79 0.00 0.00 0.69 0.00 0.00 53 E 8.75 4.67 0.00 2.11 1.80 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 2.25 2.33 0.00 54 H 9.54 3.99 0.00 3.24 3.37 0.00 6.05 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 55 G 8.27 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.97 4.72 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 57 H 8.80 4.75 0.00 3.18 3.30 0.00 5.69 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 58 L 8.81 4.62 0.00 1.80 1.64 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.90 0.00 2.09 2.08 0.00 3.82 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 2.01 2.01 0.00 60 D 8.59 4.62 0.00 2.62 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 61 Y 8.61 4.20 0.00 2.85 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 V 6.63 3.76 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.85 0.00 0.00