NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0660 8.3101 121.7884 55.7490 34.0963 175.2700 20 A 4.1042 7.4067 115.3850 51.2613 20.7981 174.0080 21 K 4.3101 8.1937 122.9685 56.4689 33.5936 176.0869 22 V 4.4898 7.7871 123.2754 62.5589 31.4570 176.4443 23 K 4.4066 7.8467 120.2522 56.2848 33.6409 176.4384 24 A 4.5137 7.8531 118.7279 52.4462 19.5061 177.8052 25 T 4.0950 7.6261 113.4036 65.1690 69.0046 174.3899 26 L 5.0192 7.4286 119.6219 52.6446 46.2520 177.2278 27 G 4.0852 8.3432 116.8046 45.4779 0.0000 176.0004 28 E 4.1739 8.8693 123.9076 56.5000 28.1366 175.4146 29 F 4.9561 8.2073 117.6814 54.3716 40.6507 174.8007 30 D 4.1679 8.7750 124.5369 53.6241 41.6501 175.3926 31 L 4.6434 8.8053 126.2161 55.6781 41.2191 176.5475 32 R 5.3931 8.3439 134.6360 57.9299 29.0709 174.2902 33 D 4.3696 7.8475 117.0141 54.3443 42.1915 175.5420 34 Y 5.0096 7.1109 121.1907 55.5920 37.6864 175.3088 35 R 4.6106 7.9133 115.7441 57.2354 35.8217 176.6661 36 N 4.7192 8.0868 116.6381 52.5191 35.5157 175.5467 37 V 3.6101 7.8864 117.1085 65.5514 32.2063 178.9884 38 E 4.0119 8.1260 115.4043 57.9636 29.8485 178.5129 39 V 3.8387 7.5667 118.4319 65.1605 32.2082 177.5946 40 L 4.4587 8.4731 119.0006 57.7400 41.3718 179.1540 41 K 3.8674 8.5820 119.3487 58.8172 32.0863 176.1893 42 R 4.2433 7.2288 117.9031 56.7150 30.4114 175.9748 43 F 5.1021 8.1880 113.0628 56.2819 40.6081 176.7873 44 L 5.3508 8.3419 115.0844 54.8707 44.4146 177.5778 45 S 3.8495 7.8852 114.1471 59.1945 63.0975 172.1039 46 E 4.6922 8.5496 119.5365 56.8684 29.6931 176.8822 47 T 4.9846 7.4550 112.7827 62.3872 73.1792 174.7422 48 G 3.9770 8.0103 110.0712 45.5283 0.0000 174.9225 49 K 4.0061 8.1826 119.5401 56.8361 33.4023 176.7027 50 I 4.5626 8.3024 124.5928 60.5609 37.1336 175.7250 51 L 4.1761 8.3135 127.6006 54.4588 42.2500 176.2703 52 P 4.5651 0.0000 0.0000 62.1400 32.4898 177.2095 53 R 4.6014 8.2976 115.6981 57.7936 30.1839 179.5264 54 R 3.9204 7.9795 117.0424 59.4529 30.7069 178.2260 55 R 4.1733 7.9728 116.5388 58.9692 31.1062 179.2382 56 T 3.9761 8.8025 108.8956 64.3314 69.4135 173.2135 57 G 3.9003 7.8509 112.1218 45.0254 0.0000 171.5103 58 L 4.8815 7.5084 121.4692 52.6889 45.8667 176.6050 59 S 4.4840 9.8252 114.8283 57.6495 63.8769 174.1787 60 A 3.9576 8.4368 125.2846 55.3216 18.0413 179.6199 61 K 3.8584 7.9672 116.5874 60.0863 32.3217 178.1119 62 E 3.8848 8.2550 118.1796 59.3756 29.1926 178.4007 63 Q 4.0122 8.3241 121.2691 59.1380 29.5638 178.4374 64 R 4.1616 7.7149 118.5204 58.2647 30.2108 177.9444 65 I 3.5993 8.0549 113.4302 65.0421 37.4447 177.2096 66 L 3.7698 8.4521 121.7810 57.8172 41.6600 178.3882 67 A 3.7111 7.8410 119.5341 55.4397 18.2767 179.4264 68 K 3.8412 8.2774 117.0586 59.8590 32.1818 179.5116 69 T 3.8154 8.1504 109.6167 65.0981 68.4663 176.2150 70 I 3.6067 8.1804 123.0832 63.9828 37.4183 177.6483 71 K 3.8847 8.3179 119.2608 59.9079 31.9565 178.9520 72 R 3.7305 7.6044 117.5092 59.7987 30.0164 178.4868 73 A 4.1735 8.1834 119.8664 55.8087 18.0969 179.9916 74 R 4.1930 7.5267 116.8496 58.8190 30.3898 178.9218 75 I 4.1610 8.3269 120.0625 64.2832 36.8255 177.6794 76 L 4.5977 7.8376 116.9142 54.4766 41.8553 177.3263 77 G 4.0297 7.7628 104.6459 46.4808 0.0000 175.7213 78 L 4.1780 7.6228 119.4000 56.7088 42.2553 176.8764 79 L 4.3171 7.4415 117.2176 53.0820 42.5916 175.0382 80 P 4.4557 0.0000 0.0000 63.2691 31.7305 176.4507 81 F 4.0806 8.7084 119.0596 58.6421 39.4724 174.9733 82 T 4.3458 7.2534 113.7868 62.0698 69.7487 170.6782 83 E 4.8270 8.6097 120.7772 55.8704 33.1639 174.7891 84 K 4.5495 8.5539 119.5777 54.5902 33.7904 176.8286 85 L 4.0794 8.5023 125.2101 54.9644 42.7803 176.2674 86 V 4.1003 7.9602 123.2535 61.7899 33.3820 170.9704 87 R 3.9028 8.9262 135.0000 55.7299 29.5486 175.5314 88 K 4.1592 8.3981 125.0313 56.5741 32.5531 175.5337 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 19 K 8.31 4.07 0.00 1.71 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.41 4.10 1.23 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 0.00 0.00 0.00 21 K 8.19 4.31 0.00 1.80 1.77 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.37 7.81 22 V 7.79 4.49 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 0.85 0.00 0.00 0.90 0.00 0.00 23 K 7.85 4.41 0.00 1.86 1.84 0.00 1.90 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 24 A 7.85 4.51 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 25 T 7.63 4.09 4.07 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 0.00 0.00 1.09 0.00 0.00 26 L 7.43 5.02 0.00 1.28 1.29 0.15 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.34 4.09 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 0.00 28 E 8.87 4.17 0.00 2.01 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 2.32 2.32 0.00 29 F 8.21 4.96 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.17 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.64 0.00 1.70 1.72 0.86 -0.27 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 32 R 8.34 5.39 0.00 1.85 2.41 0.00 3.31 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 33 D 7.85 4.37 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.11 5.01 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.61 0.00 1.80 1.90 0.00 3.11 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 36 N 8.09 4.72 0.00 2.93 3.06 0.00 0.00 6.27 7.68 0.00 0.00 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 V 7.89 3.61 2.09 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 0.92 0.00 0.00 0.98 0.00 0.00 38 E 8.13 4.01 0.00 1.94 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 2.29 2.29 0.00 39 V 7.57 3.84 2.36 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 0.96 0.00 0.00 0.93 0.00 0.00 40 L 8.47 4.46 0.00 1.79 1.89 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.58 3.87 0.00 1.73 1.90 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 R 7.23 4.24 0.00 1.54 1.34 0.00 3.00 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.00 43 F 8.19 5.10 0.00 3.27 2.86 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 0.00 0.00 0.00 44 L 8.34 5.35 0.00 1.87 1.59 0.99 0.94 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 45 S 7.89 3.85 0.00 4.10 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.69 0.00 1.96 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 2.22 2.24 0.00 47 T 7.45 4.98 4.25 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 1.28 0.00 0.00 48 G 8.01 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 0.00 0.00 0.00 49 K 8.18 4.01 0.00 1.71 1.77 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.45 7.81 50 I 8.30 4.56 1.86 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 1.31 0.69 0.88 0.00 0.00 51 L 8.31 4.18 0.00 1.70 1.70 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.57 0.00 2.23 2.21 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 53 R 8.30 4.60 0.00 1.91 2.04 0.00 3.41 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 54 R 7.98 3.92 0.00 1.81 2.00 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 55 R 7.97 4.17 0.00 1.87 1.99 0.00 3.29 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 56 T 8.80 3.98 4.54 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 1.51 0.00 0.00 57 G 7.85 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 0.00 0.00 0.00 58 L 7.51 4.88 0.00 1.73 1.70 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.83 4.48 0.00 3.78 4.19 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 0.00 0.00 0.00 60 A 8.44 3.96 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 61 K 7.97 3.86 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 8.25 3.88 0.00 2.18 1.90 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 2.38 2.36 0.00 63 Q 8.32 4.01 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 64 R 7.71 4.16 0.00 2.14 1.80 0.00 3.19 0.00 0.00 3.21 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 65 I 8.05 3.60 1.84 0.00 0.00 0.80 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 0.92 0.95 0.00 0.00 66 L 8.45 3.77 0.00 1.53 1.44 -0.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.84 3.71 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.28 3.84 0.00 1.95 1.84 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 T 8.15 3.82 4.34 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 1.33 0.00 0.00 70 I 8.18 3.61 1.98 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 1.52 0.62 0.83 0.00 0.00 71 K 8.32 3.88 0.00 1.95 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.65 7.81 72 R 7.60 3.73 0.00 1.73 1.65 0.00 2.83 0.00 0.00 2.55 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 73 A 8.18 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.53 4.19 0.00 1.64 0.71 0.00 2.80 0.00 0.00 2.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.18 0.00 75 I 8.33 4.16 2.05 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 1.68 1.28 0.95 0.00 0.00 76 L 7.84 4.60 0.00 1.84 1.75 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.76 4.03 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 0.00 0.00 0.00 78 L 7.62 4.18 0.00 1.82 1.72 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.44 4.32 0.00 1.62 1.46 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.46 0.00 2.05 2.15 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 81 F 8.71 4.08 0.00 3.03 3.12 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 82 T 7.25 4.35 4.34 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 1.27 0.00 0.00 83 E 8.61 4.83 0.00 1.99 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 2.15 2.20 0.00 84 K 8.55 4.55 0.00 1.66 1.77 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.37 7.81 85 L 8.50 4.08 0.00 1.59 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.96 4.10 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 0.87 0.00 0.00 0.93 0.00 0.00 87 R 8.93 3.90 0.00 1.99 2.00 0.00 3.23 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 88 K 8.40 4.16 0.00 1.69 1.59 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81