NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1162 8.0249 114.2703 60.5874 39.0410 174.9097 5 K 4.4747 7.9993 121.0611 53.5014 36.5927 175.8546 6 A 4.0198 9.1915 123.1306 55.4737 18.3993 179.7994 7 R 3.8707 7.8876 115.2071 59.5882 30.2858 178.4786 8 D 4.5072 7.9901 116.8416 57.3232 40.9467 178.3648 9 L 4.1487 7.6047 118.3801 57.0076 42.1874 178.2984 10 R 4.1373 7.8157 117.6952 56.6713 30.7485 177.3055 11 G 4.0386 8.7946 107.7569 45.4965 0.0000 174.3346 12 K 4.3277 7.3322 117.9778 55.4422 33.2822 177.5323 13 K 4.3084 8.4345 120.8210 55.8785 34.1790 178.7889 14 K 4.0107 8.5413 120.7040 59.6115 31.9748 179.4846 15 E 4.0081 8.1235 117.5467 59.4763 29.5477 178.9897 16 E 3.9785 7.9847 119.0440 59.0573 29.6267 179.0784 17 L 4.0118 8.0417 119.0349 57.7712 41.6317 179.6014 18 L 4.0041 7.7800 118.3761 57.7749 41.5917 179.7365 19 K 3.9561 8.0932 118.4496 59.5053 31.9090 179.2272 20 Q 4.9059 8.5658 121.6135 58.6928 28.8588 178.0116 21 L 3.9240 8.3641 121.9024 58.1129 42.1272 178.4771 22 D 4.3113 8.3595 118.4372 57.3038 41.3035 177.9037 23 D 4.3663 8.1914 119.7552 56.4315 39.2763 178.6242 24 L 3.9715 8.1607 120.5578 57.3898 41.5645 179.3006 25 K 3.8963 8.3402 119.9227 59.4738 32.1064 178.9788 26 V 3.5607 7.9389 118.5424 65.9284 31.3719 177.5463 27 E 4.4878 7.9407 120.0899 58.7273 29.4820 178.5695 28 L 3.9332 8.0546 120.4276 58.2561 42.0739 179.0709 29 S 4.1646 8.3349 115.7343 61.5955 62.8548 176.7260 30 Q 3.9885 8.5021 120.7698 59.2848 28.3625 178.5852 31 L 3.9840 8.1359 121.2752 57.4852 41.6216 179.4440 32 R 3.9507 8.5491 119.0425 59.3088 29.9823 178.7562 33 V 3.5478 8.0955 118.2351 65.9840 31.5161 177.9000 34 A 4.0024 8.3491 120.9773 54.9586 18.1639 179.4962 35 K 3.8869 8.5213 118.6286 59.5788 32.0316 179.1926 36 V 3.5694 7.6346 117.6800 66.3587 31.5571 177.7568 37 T 4.0347 7.7757 111.6328 63.2318 67.1231 175.0401 38 G 3.8946 7.8522 108.1670 45.1627 0.0000 173.4375 39 G 3.6316 8.1508 109.1464 45.1423 0.0000 174.6437 40 A 4.0631 8.7064 127.2360 54.7965 18.8647 179.2033 41 A 4.0763 8.0847 118.0070 55.3619 18.4901 178.1210 42 S 4.3562 7.4202 109.5707 58.4076 63.5463 173.6405 43 K 4.5920 8.2001 120.3055 54.6330 34.5725 177.1680 44 L 4.0172 8.6680 124.3341 57.5540 41.4358 179.4904 45 S 4.1196 8.0381 113.8775 61.5024 62.8540 176.4613 46 K 3.9138 7.8593 123.4018 58.9671 31.5006 178.5080 47 I 3.6857 7.7378 118.5259 64.0588 37.7725 177.7172 48 R 3.9506 7.9179 119.3413 59.3503 29.8838 178.9066 49 V 3.6411 8.0624 119.4290 64.8612 31.3334 178.7229 50 V 3.5860 8.4131 113.4368 64.1129 31.3690 178.4767 51 R 3.8765 7.6504 117.1561 59.3942 29.8505 178.7722 52 K 3.9678 7.8244 118.4382 59.4649 31.9676 179.2048 53 S 4.0799 8.3103 113.6013 61.5049 62.1748 176.3007 54 I 3.6818 8.0110 122.2971 64.3116 36.8229 178.2345 55 A 3.9893 7.9105 121.6002 55.1921 18.1770 179.9261 56 R 3.9263 8.1728 118.2288 58.8303 30.0939 179.4438 57 V 3.5990 8.1155 118.3695 66.0341 31.5563 178.0668 58 L 4.0247 8.2781 119.3180 57.8866 41.1192 179.6309 59 T 3.8544 8.3603 110.1526 64.8068 68.6206 176.8080 60 V 3.6250 8.2253 121.7473 65.5231 31.3428 177.7575 61 I 3.6518 7.8744 117.5935 64.3068 37.9157 177.3082 62 N 4.4893 7.9029 116.0207 56.3094 38.3974 177.1082 63 Q 4.1460 7.7888 118.6642 59.2063 28.9381 177.2447 64 T 4.1720 8.0330 120.1478 63.8865 68.6246 174.0205 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 4 I 8.02 4.12 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 1.41 1.12 0.91 0.00 0.00 5 K 8.00 4.47 0.00 1.86 1.72 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.56 7.81 6 A 9.19 4.02 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 7 R 7.89 3.87 0.00 1.79 2.01 0.00 3.22 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 1.64 1.73 0.00 8 D 7.99 4.51 0.00 2.80 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 9 L 7.60 4.15 0.00 1.76 1.73 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.82 4.14 0.00 1.85 1.85 0.00 3.14 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 11 G 8.79 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.33 4.33 0.00 1.95 1.74 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.64 7.81 13 K 8.43 4.31 0.00 1.84 1.72 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 14 K 8.54 4.01 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 15 E 8.12 4.01 0.00 2.19 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 2.36 2.40 0.00 16 E 7.98 3.98 0.00 2.25 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 0.00 2.40 2.40 0.00 17 L 8.04 4.01 0.00 1.83 1.71 0.92 0.54 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 18 L 7.78 4.00 0.00 1.82 1.71 0.92 1.10 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 19 K 8.09 3.96 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 20 Q 8.57 4.91 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 21 L 8.36 3.92 0.00 1.81 1.79 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.36 4.31 0.00 2.82 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 23 D 8.19 4.37 0.00 3.00 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 24 L 8.16 3.97 0.00 1.86 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.34 3.90 0.00 1.99 1.91 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 V 7.94 3.56 2.23 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 0.90 0.00 0.00 1.06 0.00 0.00 27 E 7.94 4.49 0.00 2.11 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 0.00 2.31 2.18 0.00 28 L 8.05 3.93 0.00 1.71 1.83 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.33 4.16 0.00 4.06 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 Q 8.50 3.99 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 31 L 8.14 3.98 0.00 1.89 1.76 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.55 3.95 0.00 1.98 2.08 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 33 V 8.10 3.55 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.03 0.00 0.00 34 A 8.35 4.00 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 35 K 8.52 3.89 0.00 1.91 2.05 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 36 V 7.63 3.57 2.28 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 0.85 0.00 0.00 0.98 0.00 0.00 37 T 7.78 4.03 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 38 G 7.85 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 0.00 0.00 0.00 39 G 8.15 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.71 4.06 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 41 A 8.08 4.08 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 42 S 7.42 4.36 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.20 4.59 0.00 1.85 1.89 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.35 7.81 44 L 8.67 4.02 0.00 1.67 1.76 0.92 0.68 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 45 S 8.04 4.12 0.00 4.04 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 0.00 46 K 7.86 3.91 0.00 1.80 1.84 0.00 1.64 0.00 0.00 1.96 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.44 7.81 47 I 7.74 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 1.52 1.45 0.93 0.00 0.00 48 R 7.92 3.95 0.00 1.94 2.10 0.00 3.15 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 1.62 1.63 0.00 49 V 8.06 3.64 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 0.83 0.00 0.00 0.93 0.00 0.00 50 V 8.41 3.59 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 1.01 0.00 0.00 51 R 7.65 3.88 0.00 1.92 2.01 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 52 K 7.82 3.97 0.00 1.92 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 53 S 8.31 4.08 0.00 3.88 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 54 I 8.01 3.68 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 1.45 0.76 0.91 0.00 0.00 55 A 7.91 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.17 3.93 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 57 V 8.12 3.60 2.22 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 1.15 0.00 0.00 1.00 0.00 0.00 58 L 8.28 4.02 0.00 1.84 1.70 0.92 0.83 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 59 T 8.36 3.85 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 1.32 0.00 0.00 60 V 8.23 3.63 2.22 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 1.07 0.00 0.00 0.97 0.00 0.00 61 I 7.87 3.65 1.94 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 0.93 0.97 0.00 0.00 62 N 7.90 4.49 0.00 2.76 2.86 0.00 0.00 7.12 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.79 4.15 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.72 0.00 64 T 8.03 4.17 4.36 0.00 0.00 0.00 0.00 0.00 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