NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4059 8.1927 115.2898 58.2937 64.5911 175.5736 2 E 3.7941 7.9896 120.4270 58.3232 29.2714 176.7198 3 A 4.1153 8.7182 120.6927 54.1233 19.4000 178.6044 4 L 4.1473 7.7155 117.4369 57.6011 41.9452 178.9102 5 K 4.0847 8.0334 117.8121 58.3790 32.2024 177.6720 6 I 3.7936 7.6283 119.4591 63.6219 37.7736 176.4375 7 L 4.3771 7.8431 117.6812 54.6908 41.3393 176.2627 8 N 4.3168 8.5776 116.5409 54.1743 38.2091 169.1713 9 N 4.3842 7.7137 121.9912 52.0023 39.5988 175.5053 10 I 3.7436 8.4196 116.9265 63.9492 36.9837 178.2601 11 R 3.8759 7.9747 116.8649 59.8493 29.2766 178.1232 12 T 4.1069 7.7936 113.4102 63.7495 67.4520 176.0155 13 L 3.8858 7.7610 121.9928 58.2744 42.1285 178.7683 14 R 3.5906 8.3430 118.6834 59.2845 29.5484 178.2134 15 A 4.0614 7.6875 119.3326 54.8668 19.1631 179.0451 16 Q 4.0421 8.2788 114.9574 59.1815 28.9020 178.0025 17 A 4.2711 8.8377 124.0174 53.0595 18.6294 179.0066 18 R 3.9649 7.3487 117.0589 58.9519 30.0717 176.1013 19 E 4.6146 7.8473 115.2631 55.7863 30.5754 175.6138 20 S 4.5045 8.0203 114.8961 59.9129 66.1469 174.5527 21 T 4.3247 8.0411 116.1313 62.8745 69.4875 175.7164 22 L 4.0823 8.4366 124.0994 57.9831 40.2516 178.6844 23 E 3.3041 8.2906 120.8130 59.6286 29.2916 178.4389 24 T 3.8716 7.6428 109.6915 64.9098 68.3887 176.1960 25 L 3.9169 8.9053 123.6184 58.6077 40.3802 178.8580 26 E 3.7434 8.1074 118.5872 58.3502 29.6488 178.0541 27 E 4.1121 8.2314 119.5717 59.1771 29.9475 178.0360 28 M 4.0692 8.4744 118.5854 57.7529 32.5673 178.4190 29 L 3.9661 8.4496 120.9991 58.0825 42.1209 178.6156 30 E 3.9578 8.1706 118.7514 59.0285 29.6358 178.4793 31 K 4.1051 7.4589 115.4994 58.4196 31.8585 178.8600 32 L 4.2876 8.3836 121.2822 57.4123 41.8481 178.4816 33 E 4.1378 8.1976 117.7707 58.9863 30.0194 179.1844 34 V 3.6566 7.5382 113.7971 63.7687 31.3971 178.8361 35 V 3.5970 8.3238 119.7092 64.9823 31.0362 178.8554 36 V 3.7127 7.5157 118.9531 63.1710 31.5008 177.6506 37 N 4.2909 8.2111 118.9700 56.9215 38.7292 176.5630 38 E 3.9868 8.0993 119.7224 59.5807 29.6049 179.6569 39 R 3.9521 7.7325 118.0466 59.0092 29.6191 179.3939 40 R 3.9403 9.4175 118.6061 59.0972 29.6798 178.6655 41 E 3.8612 8.1456 116.7268 58.6622 29.9042 178.5414 42 E 4.2876 8.3710 119.5549 58.7474 29.8202 178.5820 43 E 3.9452 8.5334 119.0255 59.5510 29.7043 179.2428 44 S 4.1488 7.6781 112.5493 61.3353 62.2320 176.2347 45 A 3.9723 7.5011 123.6515 55.0468 18.0890 179.4413 46 A 3.9056 8.3875 119.5821 55.1684 18.4302 179.7365 47 A 3.8964 8.4952 119.5180 55.2750 18.2567 179.7866 48 A 3.9404 7.6648 117.7892 55.0999 18.5183 179.2037 49 E 4.0186 8.1574 116.9788 59.6491 29.8632 179.2214 50 V 3.6532 7.8560 111.2794 60.7004 31.9367 178.7647 51 E 3.6949 8.7222 117.4916 56.7906 29.8419 172.5918 52 E 4.7948 9.0326 114.7327 57.1319 36.3136 175.6354 53 R 4.0270 8.2838 117.7302 59.3377 30.3615 176.9503 54 T 4.0830 7.8038 107.1504 61.7053 69.4714 172.3653 55 R 4.3127 8.8532 125.6819 55.8886 33.2404 175.1531 56 K 3.6703 8.8216 115.6417 57.0973 29.5840 174.8660 57 L 3.9408 8.0577 124.1652 55.6886 42.9767 173.5045 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 S 8.19 4.41 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.79 0.00 2.16 1.92 0.00 0.00 0.00 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 2.43 0.00 3 A 8.72 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.15 0.00 1.82 1.71 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.03 4.08 0.00 1.75 1.92 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 6 I 7.63 3.79 2.04 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 1.35 0.93 0.91 0.00 0.00 7 L 7.84 4.38 0.00 1.89 1.88 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.58 4.32 0.00 2.89 2.90 0.00 0.00 7.20 7.79 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 9 N 7.71 4.38 0.00 3.00 2.83 0.00 0.00 6.82 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.42 3.74 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 1.69 1.34 0.91 0.00 0.00 11 R 7.97 3.88 0.00 1.98 2.12 0.00 3.02 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 12 T 7.79 4.11 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 1.39 0.00 0.00 13 L 7.76 3.89 0.00 1.92 1.64 0.97 0.69 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 14 R 8.34 3.59 0.00 1.94 2.00 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 15 A 7.69 4.06 1.35 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 0.00 0.00 0.00 16 Q 8.28 4.04 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 17 A 8.84 4.27 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 18 R 7.35 3.96 0.00 1.97 2.21 0.00 3.25 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 19 E 7.85 4.61 0.00 2.11 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 2.38 2.28 0.00 20 S 8.02 4.50 0.00 3.92 3.99 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 0.00 0.00 0.00 0.00 21 T 8.04 4.32 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 1.25 0.00 0.00 22 L 8.44 4.08 0.00 1.87 1.93 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.29 3.30 0.00 2.05 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 2.39 2.42 0.00 24 T 7.64 3.87 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 1.27 0.00 0.00 25 L 8.91 3.92 0.00 1.82 1.96 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.11 3.74 0.00 1.98 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 2.29 2.46 0.00 27 E 8.23 4.11 0.00 2.12 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 0.00 2.29 2.38 0.00 28 M 8.47 4.07 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 29 L 8.45 3.97 0.00 1.71 1.81 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.17 3.96 0.00 2.07 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 0.00 2.38 2.40 0.00 31 K 7.46 4.11 0.00 1.88 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.56 7.81 32 L 8.38 4.29 0.00 1.84 1.83 0.92 0.81 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 33 E 8.20 4.14 0.00 2.29 2.29 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 2.26 2.60 0.00 34 V 7.54 3.66 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 1.01 0.00 0.00 0.95 0.00 0.00 35 V 8.32 3.60 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 0.88 0.00 0.00 1.00 0.00 0.00 36 V 7.52 3.71 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 1.02 0.00 0.00 0.93 0.00 0.00 37 N 8.21 4.29 0.00 2.91 3.02 0.00 0.00 7.38 7.38 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 38 E 8.10 3.99 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 2.33 2.53 0.00 39 R 7.73 3.95 0.00 2.00 1.97 0.00 3.16 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 40 R 9.42 3.94 0.00 2.12 1.97 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 41 E 8.15 3.86 0.00 2.23 2.20 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 2.60 2.38 0.00 42 E 8.37 4.29 0.00 2.09 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 0.00 2.30 2.49 0.00 43 E 8.53 3.95 0.00 2.14 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 2.36 2.44 0.00 44 S 7.68 4.15 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.50 3.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 3.91 1.35 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 0.00 0.00 0.00 47 A 8.50 3.90 1.35 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 0.00 0.00 0.00 48 A 7.66 3.94 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 49 E 8.16 4.02 0.00 2.02 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 0.00 2.32 2.39 0.00 50 V 7.86 3.65 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 0.78 0.00 0.00 1.00 0.00 0.00 51 E 8.72 3.69 0.00 2.09 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 2.22 2.22 0.00 52 E 9.03 4.79 0.00 1.88 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 2.13 2.28 0.00 53 R 8.28 4.03 0.00 1.81 1.94 0.00 3.29 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 54 T 7.80 4.08 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 55 R 8.85 4.31 0.00 1.87 2.01 0.00 3.19 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 56 K 8.82 3.67 0.00 1.91 1.92 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.40 7.81 57 L 8.06 3.94 0.00 1.73 1.60 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00