NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.6725 8.0600 120.2555 56.7010 32.3050 177.3312 2 M 3.9251 7.8954 116.9593 57.9453 32.0789 176.7389 3 K 4.2920 8.6950 121.0781 58.9092 32.6064 178.6570 4 Q 4.0005 8.0490 117.9164 58.9063 28.6606 178.8408 5 I 3.7116 7.6738 120.3888 64.4994 36.7616 178.2493 6 E 3.9877 8.0809 119.3166 59.5968 29.1884 179.3470 7 D 4.3406 8.3257 118.9233 57.0353 40.8385 178.4615 8 K 3.8417 8.1475 120.2302 59.8735 32.1402 178.7926 9 I 3.7158 7.8521 119.7605 64.2275 36.9215 178.1776 10 E 3.9464 8.1911 119.4527 59.5985 29.3888 179.1839 11 E 3.9613 8.3681 118.5385 59.5907 29.4787 179.5197 12 I 3.6998 8.0909 120.0239 64.4790 37.1536 178.3803 13 E 3.9672 8.3740 119.3691 59.5728 29.3981 179.5788 14 S 4.1333 8.2205 115.2474 61.4315 62.7687 176.7837 15 K 3.9490 8.0495 122.3445 59.4383 31.9211 178.6167 16 Q 3.9282 8.4361 120.3389 59.1067 28.8519 178.2435 17 K 3.9306 8.0862 120.6065 59.4661 32.1665 178.9219 18 K 3.9636 8.0116 118.5487 59.4303 31.8955 179.3927 19 I 3.6921 8.0326 120.2899 64.4317 37.0742 178.2181 20 E 3.9694 8.5106 119.7523 59.6371 29.3089 179.2579 21 N 4.3458 8.3921 116.5484 56.2864 38.5237 177.1416 22 E 3.9485 8.4187 120.8182 59.2170 29.6528 178.8217 23 I 3.6610 8.1922 120.1223 64.3521 37.0518 178.1357 24 A 3.9806 8.0866 121.4756 55.2529 18.1992 179.9410 25 R 3.8495 8.0256 116.4287 59.4050 30.1736 179.2066 26 I 3.7038 7.9024 119.6633 64.5064 37.1694 178.5301 27 K 3.9920 8.2682 119.2944 59.4435 31.8399 179.5887 28 K 3.9710 7.8652 118.5053 59.3907 32.0267 179.2589 29 L 3.9533 8.0364 120.6457 57.9395 42.0327 178.4925 30 L 3.9805 8.4050 120.7833 58.5364 41.9610 179.1358 31 Q 4.0897 8.2621 117.7929 58.7472 28.5395 178.5372 32 L 4.0809 8.0057 120.4815 58.0879 41.6250 179.7253 33 T 3.9607 8.0958 109.7019 64.6480 68.7244 176.5108 34 V 3.5872 7.8889 121.2854 65.7140 31.5079 177.8265 35 W 4.1847 8.4294 127.9219 60.3415 30.5444 178.1194 36 G 3.6100 8.8088 106.1168 47.8928 0.0000 175.6376 37 I 3.6371 7.9132 122.7283 63.8169 37.2518 178.2123 38 K 3.7285 7.8596 120.3487 59.7776 31.9604 178.7523 39 Q 3.6852 7.4614 117.9551 58.8325 28.5360 178.8460 40 L 3.9303 7.6886 120.0216 57.6351 41.5389 179.3147 41 Q 3.8983 8.2283 119.4869 59.1728 28.7877 178.2413 42 A 3.9179 7.5620 120.2971 54.9296 18.4143 179.3464 43 R 3.9495 7.8305 116.8753 59.5634 30.3001 178.6055 44 I 3.8598 7.6414 111.6092 63.4075 37.6976 176.4115 45 L 4.3077 7.9863 124.8293 54.8172 41.7578 176.3254 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 R 8.06 4.67 0.00 1.86 1.99 0.00 3.19 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 2 M 7.90 3.93 0.00 2.20 2.04 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 2.66 2.69 0.00 3 K 8.70 4.29 0.00 1.84 1.84 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.38 7.81 4 Q 8.05 4.00 0.00 2.28 2.15 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 2.45 2.45 0.00 5 I 7.67 3.71 2.01 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 1.52 1.03 0.91 0.00 0.00 6 E 8.08 3.99 0.00 2.19 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 2.46 0.00 7 D 8.33 4.34 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 3.84 0.00 2.02 1.99 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.54 7.81 9 I 7.85 3.72 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 1.52 0.41 0.91 0.00 0.00 10 E 8.19 3.95 0.00 2.26 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 2.58 0.00 11 E 8.37 3.96 0.00 2.19 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 2.51 0.00 12 I 8.09 3.70 2.01 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 1.52 0.82 0.91 0.00 0.00 13 E 8.37 3.97 0.00 2.18 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 0.00 2.33 2.51 0.00 14 S 8.22 4.13 0.00 4.00 3.91 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 15 K 8.05 3.95 0.00 2.04 1.79 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 16 Q 8.44 3.93 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 17 K 8.09 3.93 0.00 1.92 1.96 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.53 7.81 18 K 8.01 3.96 0.00 2.06 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.63 7.81 19 I 8.03 3.69 2.03 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 1.52 0.74 0.91 0.00 0.00 20 E 8.51 3.97 0.00 2.21 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 2.43 0.00 21 N 8.39 4.35 0.00 2.87 2.86 0.00 0.00 6.70 8.07 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 22 E 8.42 3.95 0.00 2.17 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 0.00 2.30 2.39 0.00 23 I 8.19 3.66 2.00 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 1.46 0.60 0.91 0.00 0.00 24 A 8.09 3.98 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 25 R 8.03 3.85 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 26 I 7.90 3.70 2.02 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 1.52 0.73 0.92 0.00 0.00 27 K 8.27 3.99 0.00 1.92 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 28 K 7.87 3.97 0.00 1.91 1.84 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 29 L 8.04 3.95 0.00 1.77 1.79 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.40 3.98 0.00 1.85 1.87 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.26 4.09 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 32 L 8.01 4.08 0.00 1.96 1.78 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.10 3.96 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 34 V 7.89 3.59 2.33 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 1.03 0.00 0.00 1.00 0.00 0.00 35 W 8.43 4.18 0.00 3.47 3.40 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 36 G 8.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.64 1.98 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 1.40 0.66 0.88 0.00 0.00 38 K 7.86 3.73 0.00 1.85 1.71 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.41 7.81 39 Q 7.46 3.69 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 40 L 7.69 3.93 0.00 1.77 1.66 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.23 3.90 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 42 A 7.56 3.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.83 3.95 0.00 1.77 1.92 0.00 3.23 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 44 I 7.64 3.86 1.85 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 1.70 0.68 0.96 0.00 0.00 45 L 7.99 4.31 0.00 1.60 1.59 0.90 1.05 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