NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.3140 8.3033 120.2299 56.2461 31.7683 177.7500 20 I 3.6118 7.8244 118.9887 61.8884 36.9688 173.7560 21 D 4.7500 8.3627 118.9736 50.5572 43.1594 175.2475 22 Y 4.1169 8.7722 116.5968 61.1041 37.3372 179.2597 23 K 4.0584 7.5007 118.6444 59.6956 32.5166 178.8173 24 D 4.5896 8.1308 118.6542 56.8030 40.7974 178.6045 25 I 3.8594 7.8636 113.0105 63.5866 37.4165 177.9319 26 A 4.1180 7.6795 121.6981 54.8173 18.2729 178.8648 27 T 4.2544 7.7933 106.4613 62.9414 69.4917 175.2699 28 L 5.1086 7.2837 121.0156 53.8211 42.2931 178.0570 29 K 4.2770 8.1949 117.9812 58.0912 31.9593 177.6653 30 N 4.4490 8.0506 116.8984 55.3320 37.8849 175.9765 31 Y 4.2547 7.9800 116.1644 58.1116 37.6056 174.3633 32 I 4.8887 7.4358 120.6761 59.5288 39.6871 175.7155 33 T 4.1553 8.6499 120.4021 61.2854 67.8424 174.9783 34 E 4.2140 8.7321 123.9749 59.2880 29.2018 177.7679 35 S 4.3255 8.2591 113.5719 58.2990 61.9761 175.1659 36 G 4.1084 8.5541 105.5393 45.9882 0.0000 173.1041 37 K 4.7465 7.2970 118.6578 54.1116 36.5621 174.9888 38 I 4.5868 8.2953 122.1648 60.6291 36.9833 176.8422 39 V 3.8017 8.5507 127.9388 61.2619 32.2834 174.6765 40 P 4.3540 0.0000 0.0000 62.5508 31.8322 177.3692 41 S 4.4324 8.8765 117.3609 59.7311 62.6385 175.7768 42 R 4.0226 7.4578 117.8968 60.0478 30.0311 177.4237 43 I 3.8947 7.9354 110.4411 64.0569 37.1906 176.6411 44 T 4.5549 8.6603 105.8429 60.2429 71.6179 174.1560 45 G 3.9436 8.2167 105.3761 46.7350 0.0000 172.1633 46 T 4.0829 8.3169 113.9382 61.0625 69.9768 176.2068 47 R 3.8959 8.7170 123.5887 56.8288 31.2544 177.1199 48 A 3.9835 8.7548 127.8749 55.4814 18.5589 179.1802 49 K 3.7960 8.1609 116.2319 60.2174 32.1329 178.5094 50 Y 4.1847 8.0017 118.7778 60.7181 38.6082 178.0205 51 Q 3.7367 8.3921 120.7347 59.4101 29.0036 178.7413 52 R 3.9119 7.7737 117.3483 58.8307 30.3160 178.7985 53 Q 4.0619 7.8417 117.8871 59.0067 28.7217 178.6505 54 L 4.0099 7.4509 121.6437 57.4127 42.1254 178.6130 55 A 3.9661 7.6865 121.1790 54.8797 18.2692 179.6208 56 R 3.9982 7.9295 114.0883 58.9845 30.1995 178.7504 57 A 3.7703 7.8146 121.0506 54.6508 18.1919 179.4012 58 I 3.5969 8.0412 118.7026 64.6550 37.3116 177.9206 59 K 3.8399 7.5471 119.4026 60.0203 31.9828 178.5367 60 R 4.0126 8.0585 115.3748 59.5567 29.2785 178.6332 61 A 4.3290 7.9953 120.8051 54.8067 18.1474 179.7589 62 R 3.8960 8.0685 116.1173 59.9212 30.2781 178.6311 63 Y 4.2223 7.6755 114.2826 60.7909 38.0217 177.8369 64 L 4.2204 7.7987 119.2062 55.7346 41.7240 178.0071 65 S 4.5939 8.0595 110.9976 58.6834 61.5012 170.1478 66 L 4.0045 8.0309 122.0472 57.4401 41.6022 176.9236 67 L 4.3769 7.7449 120.3554 52.5182 40.9664 173.8672 68 P 4.2921 0.0000 0.0000 60.9089 29.7447 174.4893 69 Y 3.9885 8.4195 122.5719 58.7097 37.5158 177.2406 70 T 3.2005 8.7430 120.3826 61.0741 66.9966 170.6667 71 D 4.2009 8.0011 118.9199 57.4696 39.4298 178.1878 72 R 3.9694 7.6979 120.9988 58.0040 30.2003 176.5476 73 H 4.1478 7.9811 118.9545 55.8538 28.4604 173.0913 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 E 8.30 4.31 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.35 0.00 20 I 7.82 3.61 1.87 0.00 0.00 0.88 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 0.58 0.89 0.00 0.00 21 D 8.36 4.75 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.77 4.12 0.00 2.85 2.87 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 23 K 7.50 4.06 0.00 1.61 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.53 7.81 24 D 8.13 4.59 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.86 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.15 0.92 0.00 0.00 26 A 7.68 4.12 1.41 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 27 T 7.79 4.25 4.29 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 0.00 0.00 1.25 0.00 0.00 28 L 7.28 5.11 0.00 1.73 1.80 1.02 1.31 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 29 K 8.19 4.28 0.00 1.77 1.89 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.70 7.81 30 N 8.05 4.45 0.00 2.66 2.99 0.00 0.00 6.26 7.57 0.00 0.00 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 Y 7.98 4.25 0.00 3.39 3.09 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 32 I 7.44 4.89 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 1.00 0.00 0.00 33 T 8.65 4.16 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 34 E 8.73 4.21 0.00 2.09 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 0.00 2.28 2.38 0.00 35 S 8.26 4.33 0.00 3.91 3.86 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 36 G 8.55 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.30 4.75 0.00 1.52 1.73 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 38 I 8.30 4.59 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.94 0.00 0.00 39 V 8.55 3.80 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 0.91 0.00 0.00 0.98 0.00 0.00 40 P 0.00 4.35 0.00 2.22 2.04 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 41 S 8.88 4.43 0.00 3.87 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 42 R 7.46 4.02 0.00 1.95 2.04 0.00 3.26 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 43 I 7.94 3.89 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.79 0.93 0.00 0.00 44 T 8.66 4.55 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 1.38 0.00 0.00 45 G 8.22 3.94 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 0.00 0.00 0.00 46 T 8.32 4.08 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 47 R 8.72 3.90 0.00 1.91 1.93 0.00 3.20 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 48 A 8.75 3.98 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 49 K 8.16 3.80 0.00 1.81 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.47 7.81 50 Y 8.00 4.18 0.00 2.97 3.07 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 0.00 51 Q 8.39 3.74 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 52 R 7.77 3.91 0.00 1.87 1.94 0.00 3.37 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 53 Q 7.84 4.06 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 54 L 7.45 4.01 0.00 1.51 1.52 0.81 0.77 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 55 A 7.69 3.97 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 56 R 7.93 4.00 0.00 2.01 2.14 0.00 2.74 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 57 A 7.81 3.77 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 0.00 0.00 0.00 0.00 0.00 58 I 8.04 3.60 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.89 0.00 0.00 59 K 7.55 3.84 0.00 1.95 1.99 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.67 7.81 60 R 8.06 4.01 0.00 2.04 2.09 0.00 2.52 0.00 0.00 2.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.00 61 A 8.00 4.33 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.07 3.90 0.00 1.96 1.54 0.00 3.05 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 63 Y 7.68 4.22 0.00 3.01 3.01 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 64 L 7.80 4.22 0.00 1.89 1.81 1.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.06 4.59 0.00 4.10 4.40 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 66 L 8.03 4.00 0.00 1.75 1.79 0.65 0.93 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 67 L 7.74 4.38 0.00 1.65 1.74 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.29 0.00 2.11 2.00 0.00 3.47 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 69 Y 8.42 3.99 0.00 3.06 2.98 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 70 T 8.74 3.20 4.33 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 1.35 0.00 0.00 71 D 8.00 4.20 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 72 R 7.70 3.97 0.00 1.85 2.05 0.00 3.11 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.46 0.00 73 H 7.98 4.15 0.00 2.83 3.18 0.00 5.49 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00