NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4527 8.2893 120.3269 55.0059 33.8968 175.0656 2 K 4.4491 7.6829 120.4333 55.0205 35.0061 173.4372 3 S 4.3049 9.3695 117.5723 60.0070 64.7129 174.0333 4 T 3.0561 8.4337 115.3400 63.8585 63.6664 172.1114 5 G 3.7773 8.1472 109.9888 46.2860 0.0000 170.7656 6 I 4.3990 7.6161 118.5243 58.4755 39.9566 174.7437 7 V 4.0919 8.2067 126.8715 60.9549 32.4679 175.4121 8 R 4.8019 8.1866 121.8690 54.0689 32.7240 175.2915 9 K 4.1687 8.4466 120.1463 57.4958 33.9617 178.8106 10 V 3.2998 8.5671 124.9296 64.0328 30.4082 176.1181 11 D 4.5517 9.3383 124.7445 53.6579 43.0170 174.6907 12 E 4.7132 6.3126 119.8896 57.1794 37.4300 176.8377 13 L 4.0284 7.8006 123.5005 55.6869 41.4774 176.5218 14 G 3.2537 7.2058 111.8158 45.3786 0.0000 173.2560 15 R 3.8737 7.8110 120.8674 56.8966 29.3058 175.2684 16 V 4.1699 7.9268 124.7087 60.3012 33.2949 176.4748 17 V 3.9100 7.7336 124.5373 62.2139 31.1454 175.3974 18 I 3.9530 8.1907 129.1926 60.2173 37.8574 174.6114 19 P 4.2272 0.0000 0.0000 63.0871 32.0404 177.1456 20 I 3.6921 8.5106 121.6775 64.1833 37.8508 177.9913 21 E 4.0764 8.1356 117.8701 58.7396 29.5578 179.0208 22 L 4.0401 7.6554 120.0605 57.6054 42.0016 179.1845 23 R 3.9877 8.1170 116.0231 59.1799 29.3946 178.8729 24 R 3.8757 8.1360 119.6081 59.5529 29.8477 178.5461 25 T 3.9031 7.7552 114.7225 66.3695 68.5592 175.8718 26 L 4.3661 7.8498 118.5500 54.1574 42.0373 177.1245 27 G 3.9479 7.6685 106.5472 46.3926 0.0000 173.4501 28 I 4.5806 7.4005 111.8526 58.6886 40.3507 174.3136 29 A 4.2055 8.9723 120.6081 52.5365 22.3218 179.6707 30 E 3.4493 8.8477 115.1722 57.9894 32.1030 176.0748 31 K 4.0758 8.2719 123.5346 57.5522 33.1930 177.0793 32 D 4.6689 8.2035 119.2469 53.5904 42.0870 174.7455 33 A 4.9125 8.2376 120.1032 50.3548 22.5197 175.1004 34 L 5.2600 8.4803 118.0537 53.0513 45.7431 176.4942 35 E 4.5775 9.4501 121.8354 55.1607 30.7435 175.0915 36 I 4.6705 8.3008 126.2360 60.5150 38.2833 174.9538 37 Y 5.0518 9.7331 128.5991 55.6008 42.6132 174.1389 38 V 4.3321 7.1186 122.0475 59.8241 33.9213 175.4367 39 D 4.4287 8.6528 123.3616 52.6201 40.9931 174.2996 40 D 4.5466 8.0677 121.5616 53.0595 41.2149 173.1588 41 E 4.6184 8.4607 115.0873 55.5704 31.1156 175.7509 42 K 4.7012 8.2076 118.7304 55.6006 36.0138 174.5260 43 I 4.7732 8.1357 119.0668 59.4977 39.8768 175.4136 44 I 4.5002 9.1373 126.9659 59.6393 39.7858 174.5920 45 L 4.9697 8.6670 127.6121 52.9909 43.4420 176.2517 46 K 4.6243 8.8543 126.2755 54.4093 34.5046 175.8687 47 K 4.5008 8.4519 122.9041 56.7320 33.4827 176.0307 48 Y 4.3382 8.5497 124.4850 57.4395 39.3391 175.4543 49 K 3.8242 8.6915 129.3633 55.3483 32.1869 174.5193 50 P 4.3354 0.0000 0.0000 62.7077 31.9218 176.8832 51 N 4.5425 8.4862 123.6928 51.9301 37.3207 171.9280 52 M 4.6916 7.8044 117.9715 53.3314 34.6951 175.8421 53 T 4.1454 8.2965 117.4928 62.3917 67.5574 173.1006 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 8.29 4.45 0.00 2.02 2.16 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 2.50 2.48 0.00 2 K 7.68 4.45 0.00 2.33 1.84 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.32 1.53 7.81 3 S 9.37 4.30 0.00 3.85 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 4 T 8.43 3.06 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 5 G 8.15 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 4.40 2.05 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 1.47 0.83 0.94 0.00 0.00 7 V 8.21 4.09 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 0.75 0.00 0.00 0.93 0.00 0.00 8 R 8.19 4.80 0.00 1.65 1.83 0.00 3.25 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 9 K 8.45 4.17 0.00 1.68 1.72 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.38 7.81 10 V 8.57 3.30 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 0.73 0.00 0.00 0.93 0.00 0.00 11 D 9.34 4.55 0.00 2.75 2.56 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 0.00 0.00 0.00 0.00 12 E 6.31 4.71 0.00 2.12 1.95 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 2.21 2.23 0.00 13 L 7.80 4.03 0.00 1.75 1.82 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.21 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 3.87 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 V 7.93 4.17 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 0.74 0.00 0.00 0.99 0.00 0.00 17 V 7.73 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 18 I 8.19 3.95 1.88 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 1.51 0.93 0.92 0.00 0.00 19 P 0.00 4.23 0.00 2.17 2.00 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 20 I 8.51 3.69 1.87 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 1.70 1.35 0.91 0.00 0.00 21 E 8.14 4.08 0.00 2.24 2.19 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 2.36 2.40 0.00 22 L 7.66 4.04 0.00 1.92 1.75 0.93 0.90 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 23 R 8.12 3.99 0.00 2.28 2.20 0.00 2.94 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 24 R 8.14 3.88 0.00 2.03 2.09 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 25 T 7.76 3.90 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 26 L 7.85 4.37 0.00 1.65 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.67 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 28 I 7.40 4.58 1.90 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 1.25 0.76 0.98 0.00 0.00 29 A 8.97 4.21 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 30 E 8.85 3.45 0.00 2.16 1.98 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 2.21 2.32 0.00 31 K 8.27 4.08 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.40 7.81 32 D 8.20 4.67 0.00 2.79 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 33 A 8.24 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.48 5.26 0.00 1.51 1.74 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.45 4.58 0.00 1.94 1.98 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 2.48 2.49 0.00 36 I 8.30 4.67 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.41 0.93 0.00 0.00 37 Y 9.73 5.05 0.00 2.99 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.12 4.33 1.91 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 0.59 0.00 0.00 0.80 0.00 0.00 39 D 8.65 4.43 0.00 2.76 2.54 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 40 D 8.07 4.55 0.00 2.82 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 4.62 0.00 2.05 1.97 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 2.16 2.30 0.00 42 K 8.21 4.70 0.00 1.88 1.90 0.00 1.30 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.39 7.81 43 I 8.14 4.77 1.87 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 1.32 0.65 0.91 0.00 0.00 44 I 9.14 4.50 2.25 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.67 1.01 0.00 0.00 45 L 8.67 4.97 0.00 1.52 1.63 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.85 4.62 0.00 1.84 1.68 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.37 7.81 47 K 8.45 4.50 0.00 1.84 1.83 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.43 7.81 48 Y 8.55 4.34 0.00 2.93 3.03 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 49 K 8.69 3.82 0.00 1.67 1.43 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.41 7.81 50 P 0.00 4.34 0.00 2.22 2.08 0.00 3.71 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 1.94 1.93 0.00 51 N 8.49 4.54 0.00 2.68 2.82 0.00 0.00 6.97 7.64 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 52 M 7.80 4.69 0.00 2.00 1.95 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 2.50 2.44 0.00 53 T 8.30 4.15 4.23 0.00 0.00 0.00 0.00 0.00 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