NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0608 8.3101 121.7866 54.3026 34.4486 175.0727 20 A 4.3686 7.4729 133.1295 49.6615 19.9353 174.4214 21 K 3.9605 8.3906 120.4391 57.4765 33.6699 175.1681 22 V 4.1332 8.0770 121.5332 62.1434 30.9102 176.9200 23 K 4.2172 7.2582 119.4813 57.8752 32.6384 177.1759 24 A 4.6084 7.7783 121.2784 53.1229 18.4078 178.2292 25 T 4.3961 8.1634 115.7523 65.1531 69.1829 174.7737 26 L 4.9043 7.5030 120.5159 52.5324 45.8670 178.1435 27 G 3.9962 8.4293 110.8698 45.5807 0.0000 174.2352 28 E 4.3430 8.6297 116.6210 55.9222 28.0784 177.1744 29 F 4.5771 7.8436 113.5487 56.1940 39.5983 175.1939 30 D 4.4316 8.5538 123.1782 53.5825 42.1126 175.8503 31 L 4.9009 7.9253 123.7726 55.5505 40.6844 176.6938 32 R 4.4457 8.0350 113.9890 56.7291 32.0850 173.9296 33 D 4.4864 7.4140 117.0095 52.8464 40.8621 176.2721 34 Y 4.8063 7.3894 129.1922 56.8798 37.9606 177.0384 35 R 4.6777 7.7076 117.4762 56.7951 34.0154 177.6111 36 N 4.7299 8.1082 117.1118 56.4167 36.9370 178.7234 37 V 3.4498 7.1134 115.5970 64.1991 32.1160 177.5841 38 E 4.3938 8.1920 116.7723 59.4505 29.5402 179.2082 39 V 3.6443 9.2900 118.7599 65.5506 31.6259 177.8974 40 L 4.1793 7.8629 117.9258 57.8709 41.4572 179.2554 41 K 3.8338 9.1735 118.7893 59.7791 32.2107 178.1554 42 R 3.9987 8.0007 118.7482 59.2561 29.9200 178.2914 43 F 4.1484 8.5628 113.8967 57.8790 38.3840 174.3599 44 L 5.3602 7.9945 120.9787 51.5129 43.6191 176.8766 45 S 4.3378 8.5211 119.1258 58.2744 63.4097 174.5661 46 E 4.6262 8.4279 118.3293 55.9436 27.9224 176.8141 47 T 4.3571 7.8278 115.2299 63.5834 75.7667 175.9242 48 G 4.1422 8.4107 109.0070 44.8722 0.0000 173.4265 49 K 4.0823 7.7942 119.9857 55.5477 32.6598 175.8238 50 I 3.9121 8.4038 124.4496 61.6717 37.4675 175.9012 51 L 4.1865 8.8589 128.5018 54.6069 42.5077 176.3856 52 P 4.6099 0.0000 0.0000 62.5347 32.9556 176.4909 53 R 4.5385 8.5963 117.2336 58.0929 30.2110 177.6864 54 R 4.5706 7.8937 115.0375 56.8971 30.1677 176.5845 55 R 4.7412 7.6301 116.1452 57.2351 36.4883 177.4340 56 T 4.0291 8.3862 108.7116 62.9047 69.1425 175.8144 57 G 3.9529 7.8144 108.4075 46.4236 0.0000 173.2650 58 L 4.5640 7.8690 118.6818 52.7433 44.1625 175.9739 59 S 4.5184 8.2582 113.6792 56.8724 63.7949 174.3152 60 A 3.9604 8.6127 126.0113 55.6904 18.3396 179.9030 61 K 3.9064 8.2116 115.2009 60.4652 32.2529 177.8668 62 E 3.9930 8.4551 118.5872 58.1467 28.7215 179.0690 63 Q 3.8032 9.0810 119.6280 59.4002 29.5899 180.4461 64 R 3.8977 7.9186 118.6189 59.5179 30.0382 179.0321 65 I 3.7090 7.2865 117.7635 64.9661 37.2296 177.1196 66 L 3.7996 8.3618 121.4337 56.1971 41.5708 178.5423 67 A 3.9406 7.7128 118.7006 55.5297 18.6300 179.8984 68 K 4.0394 7.8945 116.7313 59.3548 31.9626 179.0029 69 T 4.0449 8.6783 110.6442 63.6527 69.3556 177.1529 70 I 3.7061 7.4808 122.2828 64.1590 36.9333 178.2963 71 K 3.8418 8.2503 118.9529 59.2572 32.0056 179.3704 72 R 3.9377 7.4366 117.9143 59.1009 29.9053 178.8837 73 A 4.0407 8.3429 120.9233 55.3838 18.2471 179.7643 74 R 4.4059 7.9534 117.8561 58.9450 29.7485 179.2403 75 I 4.0008 7.3966 118.3107 63.4212 37.2716 177.2518 76 L 4.4967 8.1510 118.9736 53.9964 41.4863 178.5228 77 G 4.1037 7.8467 107.2157 45.8600 0.0000 175.4577 78 L 4.1148 7.7597 119.6986 57.4485 42.1262 177.4078 79 L 4.6797 7.5651 117.5293 52.3893 43.7323 174.5876 80 P 5.1597 0.0000 0.0000 62.3462 32.6696 175.7838 81 F 4.5598 8.8836 115.4981 59.1779 40.6601 176.3838 82 T 5.6026 7.5213 113.2328 63.0263 72.4733 172.6952 83 E 4.8902 8.5968 122.8872 54.8537 33.7657 174.4908 84 K 4.6973 8.4100 118.3020 54.4806 34.9146 176.5977 85 L 3.9588 8.5625 125.7495 55.3233 42.5919 176.6275 86 V 3.8584 8.2251 125.4702 62.5629 32.8726 177.3187 87 R 3.3553 7.4246 115.5212 57.2928 27.4011 175.8905 88 K 4.1322 8.2748 127.4289 56.5198 32.3185 175.7672 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 19 K 8.31 4.06 0.00 1.70 1.73 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 20 A 7.47 4.37 1.24 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 21 K 8.39 3.96 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 V 8.08 4.13 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 0.44 0.00 0.00 0.83 0.00 0.00 23 K 7.26 4.22 0.00 2.15 1.66 0.00 1.79 0.00 0.00 2.05 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.54 7.81 24 A 7.78 4.61 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 4.40 4.13 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 1.13 0.00 0.00 26 L 7.50 4.90 0.00 1.85 1.54 0.22 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.63 4.34 0.00 1.99 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 2.32 2.32 0.00 29 F 7.84 4.58 0.00 3.15 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 30 D 8.55 4.43 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.90 0.00 1.69 1.56 0.80 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.04 4.45 0.00 1.70 2.11 0.00 3.28 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 33 D 7.41 4.49 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.39 4.81 0.00 3.09 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 35 R 7.71 4.68 0.00 1.74 1.91 0.00 3.18 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.19 0.00 36 N 8.11 4.73 0.00 2.88 2.83 0.00 0.00 6.85 7.56 0.00 0.00 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 V 7.11 3.45 2.10 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 1.00 0.00 0.00 0.94 0.00 0.00 38 E 8.19 4.39 0.00 1.91 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 2.31 2.38 0.00 39 V 9.29 3.64 2.11 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 0.45 0.00 0.00 0.88 0.00 0.00 40 L 7.86 4.18 0.00 1.76 1.73 1.01 0.84 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 41 K 9.17 3.83 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 42 R 8.00 4.00 0.00 1.83 1.65 0.00 2.80 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.48 0.00 43 F 8.56 4.15 0.00 3.13 3.08 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 44 L 7.99 5.36 0.00 1.63 1.58 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.52 4.34 0.00 4.00 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 0.00 46 E 8.43 4.63 0.00 1.98 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 2.31 2.27 0.00 47 T 7.83 4.36 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 1.23 0.00 0.00 48 G 8.41 4.14 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 0.00 49 K 7.79 4.08 0.00 1.81 1.76 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.42 7.81 50 I 8.40 3.91 1.87 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 1.31 0.70 0.92 0.00 0.00 51 L 8.86 4.19 0.00 1.77 1.69 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 52 P 0.00 4.61 0.00 2.13 2.24 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 53 R 8.60 4.54 0.00 1.89 1.97 0.00 3.23 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 54 R 7.89 4.57 0.00 1.86 1.94 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 55 R 7.63 4.74 0.00 1.81 1.88 0.00 3.28 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 56 T 8.39 4.03 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 57 G 7.81 3.95 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 0.00 0.00 0.00 58 L 7.87 4.56 0.00 1.67 1.71 1.19 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.26 4.52 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 3.96 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 61 K 8.21 3.91 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.53 7.81 62 E 8.46 3.99 0.00 2.28 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 2.37 2.35 0.00 63 Q 9.08 3.80 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 64 R 7.92 3.90 0.00 2.05 1.94 0.00 3.19 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 65 I 7.29 3.71 1.92 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 1.39 0.69 0.88 0.00 0.00 66 L 8.36 3.80 0.00 1.62 1.63 0.51 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.71 3.94 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 68 K 7.89 4.04 0.00 1.78 1.88 0.00 1.52 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 69 T 8.68 4.04 4.35 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 1.35 0.00 0.00 70 I 7.48 3.71 1.88 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 1.70 0.74 0.85 0.00 0.00 71 K 8.25 3.84 0.00 1.78 1.82 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.58 7.81 72 R 7.44 3.94 0.00 2.04 1.67 0.00 3.12 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 73 A 8.34 4.04 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 74 R 7.95 4.41 0.00 1.69 1.00 0.00 2.72 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.00 75 I 7.40 4.00 2.02 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 1.61 0.72 0.92 0.00 0.00 76 L 8.15 4.50 0.00 1.84 1.72 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.85 4.10 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 0.00 0.00 0.00 78 L 7.76 4.11 0.00 1.78 1.78 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.57 4.68 0.00 1.63 1.51 0.92 1.08 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 80 P 0.00 5.16 0.00 2.17 2.26 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 81 F 8.88 4.56 0.00 2.93 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 82 T 7.52 5.60 4.31 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 1.25 0.00 0.00 83 E 8.60 4.89 0.00 1.79 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 0.00 2.22 2.39 0.00 84 K 8.41 4.70 0.00 1.61 1.69 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.34 7.81 85 L 8.56 3.96 0.00 1.59 1.59 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.23 3.86 2.08 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 0.89 0.00 0.00 1.00 0.00 0.00 87 R 7.42 3.36 0.00 2.04 2.35 0.00 3.21 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 88 K 8.27 4.13 0.00 1.71 1.69 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.34 7.81