NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5846 8.1633 120.2847 55.2625 34.2039 173.4596 2 E 4.9388 8.7512 117.6134 55.0950 33.1996 173.6001 3 A 4.9685 9.1889 123.7328 50.8792 24.1471 174.3812 4 I 5.0515 8.3317 110.0600 59.2044 41.4427 174.8085 5 A 4.6391 9.2158 128.0780 52.2993 18.5308 178.2573 6 K 4.1315 8.5896 122.7386 59.1412 34.0204 176.1385 7 H 4.9341 7.8617 115.3835 54.1079 33.2944 172.3349 8 D 5.4931 8.5490 118.5611 52.6145 40.8331 175.9816 9 F 5.0700 8.0927 122.3705 56.7717 42.8109 172.6159 10 S 4.8633 9.3315 120.3936 55.0368 64.1079 173.3355 11 A 3.3400 8.4057 128.9132 53.1959 18.2133 175.3761 12 T 4.1543 8.7731 114.7298 63.0350 71.5201 175.3745 13 A 4.5957 7.6239 126.3432 51.0098 22.4806 179.4601 14 D 4.0096 8.0259 119.8505 56.1080 40.0794 176.9748 15 D 4.7793 8.3142 122.3458 53.3132 41.5010 173.8503 16 E 4.6692 8.3028 124.5381 54.5161 31.8879 174.2119 17 L 4.8426 8.2912 122.0502 52.9745 44.0334 176.8696 18 S 5.2313 8.7196 118.6016 57.4835 65.1466 172.8977 19 F 4.8945 7.5819 115.0602 56.5464 40.8456 172.6362 20 R 5.0697 8.4697 117.4225 53.6712 34.6821 174.9047 21 K 4.1697 8.7030 121.5646 58.6358 32.3426 177.1084 22 G 4.0060 8.9746 114.8595 45.1516 0.0000 173.6284 23 Q 4.3028 7.9516 118.8994 55.6616 30.4661 175.0625 24 I 4.7141 8.2589 121.7813 59.6313 39.4310 174.4415 25 L 4.6442 8.5070 130.4485 53.1137 43.9236 175.7278 26 K 4.5513 8.4556 124.6861 55.4974 33.9437 175.2830 27 I 4.7053 8.6555 129.1724 59.7876 38.0394 176.4113 28 L 4.5397 8.0870 129.7449 53.9506 42.6689 177.0341 29 N 4.6048 7.9239 123.1924 54.0728 40.1355 172.7195 30 M 4.5491 7.8139 116.9876 55.7394 31.8487 176.9815 31 E 4.7493 8.3536 120.7401 56.8092 30.2804 176.9698 32 D 4.2126 8.2107 119.6530 57.0572 41.7375 176.6702 33 D 4.3156 8.2759 115.9787 54.3407 37.9159 172.5408 34 S 4.1923 6.8964 115.3755 57.8888 65.2639 173.6432 35 N 4.7246 8.9594 113.0213 54.8292 39.8198 174.9823 36 W 5.4286 7.8660 115.6868 54.8776 30.2122 174.8748 37 Y 4.9160 9.2696 124.2535 55.8440 42.7788 173.2731 38 R 5.2384 7.9450 122.2739 54.9308 32.2619 174.7243 39 A 5.9097 9.2281 126.6963 49.2569 23.6462 173.9496 40 E 5.2104 8.5101 118.3545 54.7790 33.4304 174.3907 41 L 4.7469 9.5418 126.4318 54.1873 46.6762 175.8523 42 D 4.4125 10.0426 122.6456 55.3952 38.5804 174.6195 43 G 3.9174 8.6248 103.7698 45.2247 0.0000 173.5367 44 K 4.6538 8.4195 121.0382 54.4167 35.0981 175.2067 45 E 5.6182 8.3250 125.2285 53.7890 32.8202 174.6868 46 G 3.9987 7.4597 105.6390 46.9228 0.0000 171.0023 47 L 5.6910 7.5562 117.9833 53.1447 44.5224 176.3202 48 I 5.4772 9.1945 115.9523 58.8127 42.2193 172.0910 49 P 5.1299 0.0000 0.0000 61.6639 32.2241 176.8351 50 S 4.0821 8.7523 118.4571 61.3407 62.3554 175.4541 51 N 4.5130 8.1497 116.3794 55.4868 39.0373 174.5579 52 Y 4.5060 8.6047 115.5204 58.2925 38.4817 174.3275 53 I 4.6297 7.4097 114.8941 59.3171 39.5584 175.2064 54 E 4.5325 9.4137 131.4020 55.1234 32.5556 173.9863 55 M 5.1956 7.8510 117.0765 54.1335 35.3879 175.5962 56 K 4.4266 8.4335 121.7726 56.4847 35.8410 175.4397 57 N 4.2189 8.8580 115.7981 54.3213 38.6657 175.1758 58 H 3.7029 9.8046 122.3848 57.0904 29.6330 174.8226 59 D 4.7604 9.4832 115.5091 54.6848 41.9600 171.9685 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 M 8.16 4.58 0.00 1.97 2.13 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 2.59 2.56 0.00 2 E 8.75 4.94 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 3 A 9.19 4.97 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 I 8.33 5.05 1.96 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 1.15 0.65 0.91 0.00 0.00 5 A 9.22 4.64 1.54 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 0.00 0.00 0.00 6 K 8.59 4.13 0.00 1.72 1.93 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.46 7.81 7 H 7.86 4.93 0.00 2.52 2.98 0.00 5.89 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.55 5.49 0.00 2.69 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 9 F 8.09 5.07 0.00 2.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 9.33 4.86 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.77 4.15 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 1.22 0.00 0.00 13 A 7.62 4.60 1.19 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 0.00 0.00 14 D 8.03 4.01 0.00 2.69 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 0.00 0.00 0.00 0.00 15 D 8.31 4.78 0.00 2.74 2.50 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 16 E 8.30 4.67 0.00 1.87 1.56 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 0.00 1.51 2.44 0.00 17 L 8.29 4.84 0.00 1.74 1.64 1.01 0.79 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 18 S 8.72 5.23 0.00 3.74 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.58 4.89 0.00 3.18 3.17 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 0.00 20 R 8.47 5.07 0.00 1.76 1.85 0.00 3.34 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 21 K 8.70 4.17 0.00 1.65 1.72 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 22 G 8.97 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 0.00 0.00 0.00 23 Q 7.95 4.30 0.00 2.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 24 I 8.26 4.71 1.88 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 1.35 1.10 0.92 0.00 0.00 25 L 8.51 4.64 0.00 1.50 1.47 0.24 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.46 4.55 0.00 2.01 1.67 0.00 1.64 0.00 0.00 1.91 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.56 7.81 27 I 8.66 4.71 2.05 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 1.35 0.77 1.22 0.00 0.00 28 L 8.09 4.54 0.00 1.43 1.56 0.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.92 4.60 0.00 2.31 1.42 0.00 0.00 6.96 7.56 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 30 M 7.81 4.55 0.00 1.97 1.62 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 31 E 8.35 4.75 0.00 1.85 1.86 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 2.18 2.35 0.00 32 D 8.21 4.21 0.00 2.50 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 0.00 0.00 0.00 33 D 8.28 4.32 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 6.90 4.19 0.00 3.53 3.29 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 0.00 35 N 8.96 4.72 0.00 2.88 3.02 0.00 0.00 6.48 7.69 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 36 W 7.87 5.43 0.00 3.55 3.10 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 0.00 0.00 0.00 0.00 37 Y 9.27 4.92 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.94 5.24 0.00 1.79 1.65 0.00 3.14 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 39 A 9.23 5.91 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 40 E 8.51 5.21 0.00 2.05 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 41 L 9.54 4.75 0.00 1.60 1.51 1.00 -0.01 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 42 D 10.04 4.41 0.00 2.77 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 43 G 8.62 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 0.00 0.00 0.00 44 K 8.42 4.65 0.00 1.86 1.63 0.00 1.61 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 1.32 1.38 7.81 45 E 8.32 5.62 0.00 1.85 1.91 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 2.22 2.45 0.00 46 G 7.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 5.69 0.00 1.93 1.70 1.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 48 I 9.19 5.48 2.10 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 1.39 0.81 1.23 0.00 0.00 49 P 0.00 5.13 0.00 2.04 2.01 0.00 4.31 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.99 0.00 50 S 8.75 4.08 0.00 3.91 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 51 N 8.15 4.51 0.00 2.79 2.99 0.00 0.00 6.97 7.56 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 52 Y 8.60 4.51 0.00 3.43 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 53 I 7.41 4.63 1.83 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 1.28 0.83 0.74 0.00 0.00 54 E 9.41 4.53 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 55 M 7.85 5.20 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 56 K 8.43 4.43 0.00 1.83 1.75 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.52 7.81 57 N 8.86 4.22 0.00 2.91 2.94 0.00 0.00 6.80 8.15 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 58 H 9.80 3.70 0.00 3.24 2.74 0.00 6.06 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.48 4.76 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00