NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4869 0.0000 0.0000 62.4239 33.6339 175.1504 2 I 4.7587 8.2261 122.7737 59.3219 40.4008 172.7998 3 A 4.7635 9.2144 130.1249 50.0036 22.1097 174.6176 4 Q 4.8258 8.6785 122.6509 54.4598 31.4289 174.3897 5 I 4.4500 8.7211 128.2869 59.9577 39.6781 174.4928 6 H 5.2002 8.8245 124.4248 54.3121 29.8649 174.3117 7 I 4.5928 8.4288 117.0021 58.5151 41.0781 174.9965 8 L 4.6068 8.3171 123.6868 54.2978 42.0983 176.8748 9 E 3.9915 9.2121 121.8124 57.1748 30.1099 176.5515 10 G 3.4055 8.7144 113.5161 45.6380 0.0000 174.1683 11 R 4.3627 7.5032 119.9110 55.4626 31.3097 176.4024 12 S 4.6026 8.5017 115.0630 57.5420 65.7616 175.0863 13 D 4.3571 8.4478 121.8262 57.6730 40.5645 178.9778 14 E 4.0156 8.0992 118.5854 59.4041 29.5112 179.2680 15 Q 4.0188 7.8355 118.0960 58.8559 28.7810 178.7422 16 K 4.0946 8.1390 119.3660 58.8830 32.0447 179.0496 17 E 3.9966 8.2113 120.0064 59.2392 29.5019 179.0039 18 T 3.8560 7.9804 116.0136 66.3621 68.5592 176.3349 19 L 3.9248 7.8775 122.2560 58.4694 41.9578 179.1522 20 I 3.7039 7.7510 119.5606 64.1887 36.9466 178.5590 21 R 3.8700 7.7529 119.2637 59.4011 30.0303 178.1626 22 E 3.8941 8.5091 118.7395 59.7011 29.5997 179.6466 23 V 3.6125 7.9167 117.9609 66.1351 31.6367 178.2374 24 S 4.1422 7.8776 115.0866 61.5399 62.6093 176.5617 25 E 3.9617 8.2652 121.1214 59.3008 29.2983 179.0065 26 A 4.0543 8.1129 120.8260 55.3590 18.3790 179.8567 27 I 3.6979 7.7560 118.1279 64.3146 37.2388 178.4877 28 S 4.1451 7.9332 113.8994 61.5532 62.4318 176.5311 29 R 4.0201 8.4310 119.1107 59.2450 29.0750 178.8748 30 S 4.2801 7.9950 115.2447 60.4312 62.9002 175.4852 31 L 4.5394 7.6141 118.2410 53.0868 42.3603 175.5813 32 D 4.3269 7.4703 115.7888 55.1156 40.2479 172.8886 33 A 4.7370 7.6985 118.8780 48.9802 21.1718 176.0405 34 P 4.3298 0.0000 0.0000 62.4626 32.2062 177.0324 35 L 3.8967 8.8584 124.6000 58.4404 41.9974 178.9393 36 T 4.0124 7.9236 107.0061 63.7170 68.6666 174.7408 37 S 4.4271 7.8970 116.1080 59.3514 63.9397 174.8204 38 V 3.9860 7.4931 121.9117 62.9642 32.0482 175.6149 39 R 4.6595 8.7562 125.4987 54.4240 33.5564 174.3381 40 V 4.8555 8.5472 123.3997 61.0598 34.4495 174.5836 41 I 4.5686 8.6863 127.2720 59.6371 40.3537 174.2775 42 I 4.7288 8.4112 127.7957 60.0750 39.0513 175.3513 43 T 4.4888 8.6776 122.8897 61.7754 71.4470 173.0633 44 E 4.8140 8.8245 126.3114 55.9606 30.9988 175.9204 45 M 4.8462 8.9840 122.6958 53.2791 35.2119 175.3301 46 A 4.7409 8.4224 124.1432 50.9438 19.4968 178.6368 47 K 3.3704 9.2685 121.0022 59.2433 32.3778 178.7457 48 G 4.1201 8.0060 105.0807 45.6889 0.0000 173.4792 49 H 4.9559 9.0185 115.7475 55.0002 29.7884 173.4744 50 F 5.1073 8.1849 122.6799 56.2588 41.4880 173.6632 51 G 4.1507 8.3468 116.5465 43.6097 0.0000 172.6464 52 I 4.0202 8.1808 123.3847 60.0708 39.5672 176.1403 53 G 3.8433 9.3676 113.0261 45.9959 0.0000 173.5554 54 G 3.9721 8.3238 108.3693 44.8604 0.0000 174.0478 55 E 4.5214 7.6416 118.6999 54.5611 31.1928 175.8014 56 L 4.4728 8.1059 120.9700 54.3728 42.4989 178.2999 57 A 4.0569 8.9124 125.7595 55.3086 18.5729 179.6323 58 S 4.2907 7.9184 110.4597 60.1408 63.3556 174.4957 59 K 4.1735 7.6995 124.3803 56.6774 32.3431 175.6255 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 2 I 8.23 4.76 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 1.27 0.71 0.91 0.00 0.00 3 A 9.21 4.76 1.21 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 0.00 0.00 0.00 0.00 0.00 4 Q 8.68 4.83 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.65 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 5 I 8.72 4.45 1.83 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 1.21 0.58 0.88 0.00 0.00 6 H 8.82 5.20 0.00 2.91 3.11 0.00 5.83 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.43 4.59 1.81 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 1.17 0.97 0.86 0.00 0.00 8 L 8.32 4.61 0.00 1.51 1.62 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.21 3.99 0.00 1.99 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 2.29 2.27 0.00 10 G 8.71 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.50 4.36 0.00 1.80 1.99 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 12 S 8.50 4.60 0.00 4.22 3.98 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 0.00 0.00 0.00 13 D 8.45 4.36 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.10 4.02 0.00 2.05 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 2.39 2.45 0.00 15 Q 7.84 4.02 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.14 4.09 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.65 7.81 17 E 8.21 4.00 0.00 2.18 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 2.30 2.34 0.00 18 T 7.98 3.86 4.46 0.00 0.00 0.00 0.00 0.00 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 19 L 7.88 3.92 0.00 1.86 1.84 0.91 1.00 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 20 I 7.75 3.70 1.99 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 1.39 0.94 0.90 0.00 0.00 21 R 7.75 3.87 0.00 1.84 2.08 0.00 3.10 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 1.62 1.66 0.00 22 E 8.51 3.89 0.00 1.96 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 2.50 2.47 0.00 23 V 7.92 3.61 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 1.03 0.00 0.00 0.96 0.00 0.00 24 S 7.88 4.14 0.00 4.15 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 25 E 8.27 3.96 0.00 2.17 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 2.32 2.32 0.00 26 A 8.11 4.05 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.76 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 1.41 1.01 0.91 0.00 0.00 28 S 7.93 4.15 0.00 4.04 4.01 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 0.00 0.00 0.00 29 R 8.43 4.02 0.00 2.04 2.29 0.00 2.83 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 7.99 4.28 0.00 4.10 3.97 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 0.00 0.00 0.00 31 L 7.61 4.54 0.00 1.69 1.67 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.47 4.33 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.74 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 34 P 0.00 4.33 0.00 2.23 2.20 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 35 L 8.86 3.90 0.00 1.74 1.72 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.92 4.01 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 37 S 7.90 4.43 0.00 3.98 4.02 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 38 V 7.49 3.99 2.18 0.00 0.00 0.00 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 39 R 8.76 4.66 0.00 1.75 1.76 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 40 V 8.55 4.86 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.69 4.57 1.84 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 1.21 0.68 0.87 0.00 0.00 42 I 8.41 4.73 1.84 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 1.31 0.51 0.87 0.00 0.00 43 T 8.68 4.49 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 1.16 0.00 0.00 44 E 8.82 4.81 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 45 M 8.98 4.85 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 46 A 8.42 4.74 1.09 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 0.00 0.00 47 K 9.27 3.37 0.00 1.82 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.56 7.81 48 G 8.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.02 4.96 0.00 3.36 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.18 5.11 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.35 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.02 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.21 0.82 0.00 0.00 53 G 9.37 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.32 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.64 4.52 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 56 L 8.11 4.47 0.00 1.75 1.59 0.92 0.68 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 57 A 8.91 4.06 1.61 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 58 S 7.92 4.29 0.00 3.96 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 59 K 7.70 4.17 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.33 7.81