NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4930 8.3344 115.2992 58.4504 63.7298 171.7148 16 I 4.1294 8.1575 117.7462 61.6254 39.3658 173.6273 17 R 3.4628 8.8590 121.7363 57.1962 28.6888 174.2452 18 L 3.9483 7.8574 123.2634 51.7699 43.3279 175.2223 19 P 4.1577 0.0000 0.0000 62.4675 32.1129 177.0685 20 A 3.9234 8.5197 122.6767 56.0191 18.3838 179.7538 21 H 4.1036 7.9372 110.9421 59.0604 27.4498 176.3778 22 L 4.1648 7.4271 116.8226 54.5852 41.1838 178.8539 23 R 4.0598 7.7825 117.7631 58.2628 29.6939 176.9639 24 L 4.3750 7.1704 119.2599 54.1337 43.0502 176.2885 25 Q 4.0545 8.7923 122.0297 55.6589 29.3633 176.1955 26 P 2.0000 0.0000 0.0000 64.7749 31.3918 178.3243 27 I 3.3310 7.1745 116.8662 63.4802 37.8140 175.7305 28 Y 4.7388 7.4444 115.4606 57.3057 38.1576 175.6427 29 W 4.7710 8.2548 121.7643 56.1803 29.8461 176.4494 30 S 4.8975 8.7129 117.9161 57.1498 65.0979 175.4026 31 R 4.3348 8.8239 122.1453 58.9848 29.7432 178.9969 32 D 4.4908 8.1154 118.1122 56.3654 39.0645 178.0432 33 D 4.2099 8.0478 120.3997 57.3356 40.9958 178.9094 34 V 3.9026 8.1043 118.2830 66.0871 31.3460 177.9355 35 A 4.1654 7.7610 119.4042 55.1688 18.2524 179.6530 36 Q 3.9720 8.2527 116.6717 58.7140 28.6913 178.7185 37 W 4.3079 8.5838 129.9853 60.2915 30.7225 178.2048 38 L 3.5645 7.9942 118.8218 57.3595 40.7594 179.2464 39 K 3.8820 8.2773 119.7998 59.2318 32.0870 178.3896 40 W 4.1398 8.6552 128.7539 60.5166 30.7000 177.3837 41 A 3.3151 8.1011 120.5086 55.2601 17.5549 179.4108 42 E 3.7813 7.9396 116.5380 59.5911 29.4322 179.4687 43 N 4.1457 7.5461 115.8943 56.1908 38.4412 176.9359 44 E 3.3378 7.2611 119.6358 58.8209 29.4116 177.6942 45 F 4.4696 7.5044 113.3122 56.3324 39.5881 175.9842 46 S 3.6365 7.1725 115.6185 59.5272 60.4202 172.0883 47 L 4.3974 7.8093 118.9439 53.3852 43.1451 177.3375 48 R 4.0462 8.2012 120.9921 55.1440 30.5999 174.5767 49 P 4.5734 0.0000 0.0000 63.2397 31.7963 175.5689 50 I 4.4837 8.4156 116.1951 58.6029 40.1798 174.8280 51 D 4.5192 8.4448 121.4461 53.9401 41.3324 177.4037 52 S 4.3521 8.7992 123.3621 61.3564 63.0383 175.7684 53 N 4.5972 8.1747 116.3475 54.9499 38.1778 175.5663 54 T 4.3454 7.9452 107.9745 62.0245 69.9880 175.1027 55 F 4.6693 8.1962 121.5891 56.8311 39.4306 176.7538 56 E 4.2904 8.2578 121.2608 57.0195 28.6361 176.6243 57 M 4.3316 7.8304 122.6878 54.8110 33.2717 176.1128 58 N 5.0708 7.4262 118.4090 52.6323 39.8340 175.5870 59 G 3.5460 9.0867 106.0812 49.2311 0.0000 175.8915 60 K 3.7406 8.2459 118.9820 59.6018 32.3120 178.3920 61 D 4.4551 8.0213 118.4016 56.0927 39.4886 177.8338 62 L 3.9243 7.4249 121.2266 58.1626 41.9377 178.8749 63 L 4.1747 8.0387 116.7480 56.6296 41.6307 178.2631 64 L 4.4619 7.9975 117.9915 53.7292 42.4995 176.4533 65 L 4.4594 7.7944 120.6456 54.3800 42.6472 176.8209 66 T 4.5108 9.5928 113.8588 60.1151 70.7018 175.6334 67 K 3.4662 8.0772 122.2525 59.7874 31.9405 178.4456 68 E 4.0417 7.7164 118.3502 59.4480 29.2905 179.1338 69 D 4.4044 8.2188 119.0714 57.2140 40.9297 178.6940 70 F 4.1478 8.3776 117.8457 60.7873 38.8410 177.6539 71 R 4.2093 8.0389 116.3415 59.4002 29.9130 178.1003 72 Y 4.3373 7.7477 117.8473 61.0321 38.9755 178.4476 73 R 4.0706 7.8517 116.3979 57.4014 30.8072 177.0616 74 S 4.4904 7.7299 109.6573 57.0478 63.8687 173.7424 75 P 4.4163 0.0000 0.0000 64.4014 31.5037 177.2111 76 H 4.7908 8.0796 114.1859 56.7511 29.9642 175.6915 77 S 4.6762 8.0838 111.8000 57.4643 64.3745 175.7740 78 G 4.1182 8.6836 109.6052 48.4162 0.0000 175.6947 79 D 4.4113 8.1525 121.6941 55.7453 39.3630 178.6467 80 V 3.4516 7.6725 119.2474 65.7615 31.5856 177.8092 81 L 3.8671 8.1638 119.1553 57.8360 41.3710 178.7546 82 Y 3.2181 7.7992 119.5399 60.5792 38.6871 177.8636 83 E 3.8163 8.4775 119.5585 59.2135 29.4959 179.0872 84 L 3.8807 8.1533 120.6387 58.1894 42.2961 178.6752 85 L 3.9211 8.2012 120.1180 58.4822 41.9037 178.8513 86 Q 3.8044 7.9972 118.1057 59.2581 28.5358 178.9329 87 H 4.0582 8.5300 117.4075 59.0436 28.6247 177.7082 88 I 3.8078 7.8772 120.4307 64.5359 36.9241 178.2356 89 L 4.0927 7.6690 120.9912 58.2502 41.8037 179.7960 90 K 3.9110 7.9592 122.6302 59.8040 31.5523 179.2099 91 Q 4.4995 7.8698 120.3892 56.7183 28.8517 175.7001 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 15 S 8.33 4.49 0.00 3.88 3.92 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 16 I 8.16 4.13 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 1.01 0.00 0.00 17 R 8.86 3.46 0.00 1.96 1.99 0.00 3.52 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 18 L 7.86 3.95 0.00 1.46 1.12 0.96 1.24 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 19 P 0.00 4.16 0.00 1.91 1.84 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 20 A 8.52 3.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.94 4.10 0.00 3.05 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.43 4.16 0.00 1.41 1.12 0.69 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.78 4.06 0.00 1.94 2.16 0.00 3.06 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 24 L 7.17 4.38 0.00 1.74 1.87 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.79 4.05 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 26 P 0.00 2.00 0.00 1.46 0.68 0.00 3.23 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.13 0.00 27 I 7.17 3.33 1.45 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.04 -0.31 0.00 0.00 28 Y 7.44 4.74 0.00 3.13 2.97 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 29 W 8.25 4.77 0.00 3.47 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.90 0.00 4.10 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 0.00 31 R 8.82 4.33 0.00 1.93 2.11 0.00 3.44 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 32 D 8.12 4.49 0.00 2.95 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 33 D 8.05 4.21 0.00 3.04 2.39 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 0.00 34 V 8.10 3.90 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 1.30 0.00 0.00 35 A 7.76 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 36 Q 8.25 3.97 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 37 W 8.58 4.31 0.00 2.99 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.56 0.00 1.95 1.55 0.77 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.28 3.88 0.00 1.93 2.01 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 40 W 8.66 4.14 0.00 3.42 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 41 A 8.10 3.32 0.93 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 0.00 0.00 42 E 7.94 3.78 0.00 2.13 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 2.23 2.44 0.00 43 N 7.55 4.15 0.00 2.69 2.72 0.00 0.00 6.70 7.33 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 44 E 7.26 3.34 0.00 1.16 1.12 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 1.47 1.47 0.00 45 F 7.50 4.47 0.00 2.87 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 46 S 7.17 3.64 0.00 3.90 3.85 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 0.00 0.00 0.00 47 L 7.81 4.40 0.00 1.54 1.54 0.77 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.20 4.05 0.00 1.73 1.82 0.00 3.25 0.00 0.00 3.18 7.33 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 P 0.00 4.57 0.00 2.06 1.99 0.00 3.67 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 2.01 2.06 0.00 50 I 8.42 4.48 1.95 0.00 0.00 0.66 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 0.62 0.94 0.00 0.00 51 D 8.44 4.52 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.80 4.35 0.00 3.98 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 53 N 8.17 4.60 0.00 2.79 2.90 0.00 0.00 6.92 8.26 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 54 T 7.95 4.35 4.17 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 0.00 0.00 1.26 0.00 0.00 55 F 8.20 4.67 0.00 3.06 3.23 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 56 E 8.26 4.29 0.00 1.99 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 2.38 2.28 0.00 57 M 7.83 4.33 0.00 2.20 2.65 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 58 N 7.43 5.07 0.00 3.46 3.11 0.00 0.00 7.13 7.38 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 59 G 9.09 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 3.74 0.00 1.82 1.88 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.61 7.81 61 D 8.02 4.46 0.00 2.86 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 L 7.42 3.92 0.00 2.19 1.92 1.24 0.59 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 63 L 8.04 4.17 0.00 1.71 1.64 0.68 0.64 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 64 L 8.00 4.46 0.00 1.74 1.69 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.79 4.46 0.00 1.82 1.56 0.55 0.64 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 66 T 9.59 4.51 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 67 K 8.08 3.47 0.00 0.79 1.50 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.23 7.81 68 E 7.72 4.04 0.00 1.98 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 2.31 2.48 0.00 69 D 8.22 4.40 0.00 2.76 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 70 F 8.38 4.15 0.00 3.50 3.38 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 71 R 8.04 4.21 0.00 2.03 2.08 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 72 Y 7.75 4.34 0.00 2.93 3.22 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 0.00 73 R 7.85 4.07 0.00 1.77 1.74 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 74 S 7.73 4.49 0.00 4.03 3.92 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 75 P 0.00 4.42 0.00 1.88 2.05 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.17 0.00 76 H 8.08 4.79 0.00 3.15 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.08 4.68 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.68 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 79 D 8.15 4.41 0.00 2.95 2.97 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 80 V 7.67 3.45 2.11 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 0.75 0.00 0.00 0.86 0.00 0.00 81 L 8.16 3.87 0.00 2.07 1.90 0.77 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.80 3.22 0.00 2.57 2.97 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 83 E 8.48 3.82 0.00 1.94 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 2.78 2.51 0.00 84 L 8.15 3.88 0.00 1.58 2.02 1.24 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.20 3.92 0.00 1.83 1.60 0.32 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.00 3.80 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 1.42 1.89 0.00 87 H 8.53 4.06 0.00 3.41 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.88 3.81 2.01 0.00 0.00 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 1.77 0.93 0.96 0.00 0.00 89 L 7.67 4.09 0.00 1.70 1.60 0.75 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.96 3.91 0.00 1.84 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.38 7.81 91 Q 7.87 4.50 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.52 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00