NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3320 8.3044 120.3427 54.9412 33.1926 174.6260 21 K 3.7261 8.5478 128.2623 54.6418 32.6764 174.6731 22 T 4.3456 8.8078 115.1254 60.9525 71.0294 172.5814 23 E 5.0967 6.9763 120.0673 54.9025 34.1546 175.2282 24 W 5.1473 9.0199 119.7988 54.4272 29.6911 174.7226 25 P 4.3951 0.0000 0.0000 65.3453 31.4513 179.1674 26 E 4.1822 8.2093 115.5908 58.1903 29.9339 177.4035 27 L 4.2972 8.1892 119.4145 55.5509 42.2732 176.9125 28 V 3.9030 7.3695 119.4616 64.1329 31.7278 176.2909 29 G 3.9687 9.1876 116.1406 45.3004 0.0000 173.6475 30 K 4.3769 7.7977 119.7378 55.0057 33.5323 176.4836 31 S 4.7728 8.4904 116.7167 57.7828 64.8720 175.5664 32 V 3.6138 8.3417 123.7579 65.0808 30.9536 178.6957 33 E 3.8778 8.0208 118.6645 59.2560 29.3787 178.6975 34 E 3.8933 8.3140 119.1513 59.0667 29.5849 178.5986 35 A 3.8695 8.0413 120.8487 55.0467 18.4483 179.6494 36 K 3.7001 8.0797 117.0200 59.4081 32.2571 179.4149 37 K 3.8557 7.8628 119.6712 59.4590 32.2751 179.0123 38 V 3.5646 7.8656 118.5386 66.1188 31.4239 177.9724 39 I 3.1808 7.6196 119.7603 64.2847 36.7075 178.4935 40 L 4.1701 7.9400 119.4239 57.4998 41.1178 179.5905 41 Q 4.0225 7.6449 117.4162 58.9352 28.7227 177.8304 42 D 4.7821 7.9868 118.4770 55.6208 42.5852 177.0327 43 K 4.6881 8.4186 120.4077 53.9310 32.4713 174.4660 44 P 4.4322 0.0000 0.0000 64.0040 31.8565 177.2336 45 A 4.4397 7.8667 118.7626 51.6718 18.9665 176.7521 46 A 4.2471 7.8726 119.7319 53.0961 19.4091 178.4022 47 Q 4.3252 9.2423 121.4351 54.7567 29.8043 174.5356 48 I 4.7676 8.0739 125.2335 59.7027 38.9117 175.2932 49 I 4.4334 8.2438 126.7392 59.0681 40.9954 173.9400 50 V 4.5525 8.3070 129.1084 61.6753 32.6051 174.7941 51 L 4.9220 8.5806 126.9482 52.0509 46.5977 174.1436 52 P 4.9553 0.0000 0.0000 62.1948 32.4554 176.7783 53 V 3.9259 8.7063 124.5832 63.1847 31.8405 176.4651 54 G 3.8253 8.7965 109.7967 46.0989 0.0000 173.3167 55 T 4.4695 7.1587 108.3896 60.0059 70.6403 173.9860 56 I 4.3218 7.9129 122.3872 60.1563 38.5676 175.7847 57 V 4.6174 7.7009 115.9090 59.2036 35.6577 175.5280 58 T 4.0229 8.4195 111.4735 62.4822 69.0757 174.0122 59 Y 5.1708 8.3390 121.0123 57.8160 38.6572 175.8086 60 E 4.4840 8.2056 116.5910 55.5331 31.4210 174.6447 61 Y 4.7375 8.4814 120.8463 55.9434 40.3662 175.2187 62 R 4.3598 8.1423 126.8930 54.0615 31.7593 176.4089 63 I 3.4649 8.1481 124.3188 63.1276 38.4339 176.3438 64 D 4.5419 7.9192 118.4160 54.0224 40.2535 175.4313 65 R 4.8949 7.5896 121.6252 54.9973 32.5166 175.2904 66 V 4.7113 8.4196 124.4491 61.1603 34.3230 174.5138 67 R 4.4830 8.6429 127.5063 55.6906 31.2193 176.0562 68 L 4.5528 8.6092 123.7542 52.9758 44.4106 175.4307 69 F 5.0927 8.7538 123.3504 56.3648 40.5272 175.3104 70 V 5.0374 8.6248 117.8839 59.4131 34.9124 176.2603 71 D 4.7849 8.7968 123.9987 52.4530 40.7108 177.0106 72 R 4.1311 8.4082 114.2434 58.0513 29.5631 176.9748 73 L 4.3051 8.0090 117.8099 54.5227 42.2602 176.3618 74 D 4.5291 8.1195 118.2806 55.3562 38.5310 173.2515 75 N 5.3069 7.9714 115.3288 51.3763 40.7980 174.5850 76 I 4.0595 8.7120 122.3829 61.6084 37.5085 176.7546 77 A 4.7184 8.8932 126.9326 51.8795 20.0179 175.6236 78 Q 4.5600 7.6696 115.2990 53.9590 32.1526 173.9953 79 V 3.8464 8.3648 123.7387 62.4805 32.1460 173.9730 80 P 4.7884 0.0000 0.0000 62.9007 32.3771 175.5707 81 R 5.4279 8.5175 118.6828 54.4688 32.7813 174.8180 82 V 3.9774 8.8173 121.2863 62.5704 32.5422 176.3608 83 G 3.0628 8.5065 115.2256 45.2983 0.0000 172.7033 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 20 M 8.30 4.33 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 21 K 8.55 3.73 0.00 1.67 1.50 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.40 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.91 7.81 22 T 8.81 4.35 4.22 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 0.00 0.00 0.00 1.24 0.00 0.00 23 E 6.98 5.10 0.00 1.77 1.81 0.00 0.00 0.00 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 2.25 0.00 24 W 9.02 5.15 0.00 3.35 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.25 2.35 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 26 E 8.21 4.18 0.00 2.15 2.17 0.00 0.00 0.00 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 2.36 0.00 27 L 8.19 4.30 0.00 1.98 1.76 0.76 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.37 3.90 2.12 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 0.82 0.00 0.00 1.06 0.00 0.00 29 G 9.19 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 30 K 7.80 4.38 0.00 1.92 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.53 7.81 31 S 8.49 4.77 0.00 4.24 3.99 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 0.00 0.00 0.00 32 V 8.34 3.61 2.16 0.00 0.00 0.00 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 0.87 0.00 0.00 33 E 8.02 3.88 0.00 2.05 2.01 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 2.38 2.40 0.00 34 E 8.31 3.89 0.00 2.03 1.92 0.00 0.00 0.00 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 2.31 0.00 35 A 8.04 3.87 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 36 K 8.08 3.70 0.00 1.88 1.79 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.55 7.81 37 K 7.86 3.86 0.00 1.81 1.90 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 38 V 7.87 3.56 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 1.06 0.00 0.00 0.96 0.00 0.00 39 I 7.62 3.18 1.51 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.36 0.00 0.00 40 L 7.94 4.17 0.00 1.70 1.68 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.64 4.02 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 42 D 7.99 4.78 0.00 3.23 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 43 K 8.42 4.69 0.00 1.94 1.83 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.49 7.81 44 P 0.00 4.43 0.00 2.08 2.10 0.00 3.80 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 45 A 7.87 4.44 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 46 A 7.87 4.25 1.25 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 0.00 0.00 0.00 47 Q 9.24 4.33 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 48 I 8.07 4.77 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.82 0.00 0.00 49 I 8.24 4.43 1.79 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 1.02 1.55 0.79 0.00 0.00 50 V 8.31 4.55 2.01 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 0.79 0.00 0.00 0.84 0.00 0.00 51 L 8.58 4.92 0.00 1.16 1.49 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.96 0.00 2.13 2.01 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.71 3.93 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 0.75 0.00 0.00 0.93 0.00 0.00 54 G 8.80 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.16 4.47 4.31 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 1.27 0.00 0.00 56 I 7.91 4.32 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.56 0.79 0.00 0.00 57 V 7.70 4.62 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 1.02 0.00 0.00 1.15 0.00 0.00 58 T 8.42 4.02 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 1.22 0.00 0.00 59 Y 8.34 5.17 0.00 2.96 2.90 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 60 E 8.21 4.48 0.00 2.15 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 0.00 2.29 2.28 0.00 61 Y 8.48 4.74 0.00 2.88 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.36 0.00 1.69 1.87 0.00 3.33 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 63 I 8.15 3.46 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.91 0.00 0.00 64 D 7.92 4.54 0.00 2.84 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 65 R 7.59 4.89 0.00 1.87 1.87 0.00 3.00 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 66 V 8.42 4.71 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 67 R 8.64 4.48 0.00 1.66 1.19 0.00 3.33 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 68 L 8.61 4.55 0.00 1.38 1.46 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.75 5.09 0.00 3.03 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 70 V 8.62 5.04 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 0.76 0.00 0.00 1.04 0.00 0.00 71 D 8.80 4.78 0.00 2.91 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 72 R 8.41 4.13 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.01 4.31 0.00 1.82 1.75 0.93 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 74 D 8.12 4.53 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.97 5.31 0.00 3.04 2.80 0.00 0.00 7.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.71 4.06 2.08 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 1.40 0.95 0.98 0.00 0.00 77 A 8.89 4.72 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 78 Q 7.67 4.56 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 79 V 8.36 3.85 2.16 0.00 0.00 0.00 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 0.98 0.00 0.00 80 P 0.00 4.79 0.00 2.29 1.95 0.00 4.01 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 81 R 8.52 5.43 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 82 V 8.82 3.98 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 0.76 0.00 0.00 1.18 0.00 0.00 83 G 8.51 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00