NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3846 8.3044 120.3467 54.9644 32.7180 174.6599 21 K 3.8631 8.4233 128.3365 54.6684 33.0108 174.8481 22 T 4.3652 8.7372 114.1900 60.7985 70.8941 172.3441 23 E 4.9826 6.8593 119.6860 55.1786 34.1852 175.3317 24 W 5.0836 9.0507 121.0437 54.3730 29.6574 174.6448 25 P 4.3692 0.0000 0.0000 65.6397 31.2726 179.0072 26 E 4.1600 8.2632 115.2093 58.1002 29.7674 177.1262 27 L 4.4569 8.0836 119.3530 54.4793 42.2230 176.4626 28 V 3.8522 7.4918 120.3606 64.2607 31.6972 176.2998 29 G 3.9864 9.2464 116.4037 45.1395 0.0000 173.5649 30 K 4.3478 7.8561 119.5456 55.2279 33.5500 176.7325 31 G 4.0773 8.1981 107.5084 43.9452 0.0000 175.1802 32 V 3.5034 8.2017 119.3034 65.8153 31.4312 177.7278 33 A 3.9214 8.0494 119.7203 55.3059 17.8291 179.2896 34 A 3.9000 7.9426 118.2579 55.1961 18.4492 179.5336 35 A 3.9202 7.8780 119.1801 55.2973 18.4264 179.9142 36 K 3.6922 8.1176 117.1387 59.4354 31.8508 179.3215 37 K 3.8305 7.4686 119.0511 59.4835 32.4235 178.7586 38 V 3.7168 7.3559 117.0224 65.9419 31.5414 177.9855 39 I 2.9018 7.5835 119.7705 64.2182 36.7691 178.3077 40 L 4.3922 8.1139 119.2007 56.9806 41.1240 179.4574 41 Q 4.0347 7.5917 117.9872 58.8504 28.8224 177.6710 42 D 4.7939 8.0233 118.5615 55.7337 42.5605 176.6152 43 K 4.6064 8.6190 121.0415 52.9028 32.2301 174.0334 44 P 4.6105 0.0000 0.0000 64.0135 31.3346 177.7314 45 E 4.5871 7.8727 116.4832 55.6924 30.0475 175.6265 46 A 4.2482 7.7154 120.8389 52.1679 19.4580 178.3944 47 Q 4.2404 9.3343 123.8436 55.0900 29.9339 174.2253 48 I 4.7886 8.1144 127.8228 59.8275 38.6721 175.4110 49 I 4.4985 8.1836 127.2650 59.3049 40.4160 174.6205 50 V 4.6715 8.2137 125.2324 61.1671 33.4062 174.6752 51 L 4.9399 8.6135 126.6904 52.0422 46.8212 173.9079 52 P 4.8818 0.0000 0.0000 62.5219 32.4400 176.2747 53 V 4.0070 8.6797 123.6966 63.4925 31.6814 176.6484 54 G 3.9532 8.6993 110.8468 45.4191 0.0000 173.9407 55 T 3.9782 7.4054 116.6921 63.4996 68.8667 174.0982 56 I 3.9269 8.3590 127.4953 61.2385 37.6043 175.7374 57 V 4.5240 8.1675 117.8736 59.4456 34.8324 175.0405 58 T 4.3466 8.2794 114.2096 61.8508 69.9795 175.1834 59 M 4.4222 8.3532 118.0325 54.3888 31.8438 174.9072 60 E 4.1216 8.0534 116.3420 57.6614 30.1441 175.6015 61 Y 4.4551 8.5262 122.3703 56.0193 40.1434 175.0307 62 R 4.3285 7.5009 126.1615 54.0065 31.4763 176.1851 63 I 3.5529 8.1218 124.3610 63.2574 38.4337 176.6505 64 D 4.4826 7.9470 119.1228 54.8267 40.1493 175.7054 65 R 4.8587 7.6087 120.8477 55.1372 32.4220 175.6991 66 V 4.7210 8.5092 124.1941 61.3346 34.4032 174.2351 67 R 4.4880 8.6178 127.4669 55.4307 31.3317 176.1453 68 L 4.5049 8.9487 124.3548 53.0838 44.0344 175.5584 69 F 5.0872 8.7257 123.8526 56.5028 40.4183 175.5527 70 V 5.0476 8.8251 117.7469 59.5488 35.2258 175.8698 71 D 4.8340 8.7084 123.2537 52.0060 41.1500 177.2228 72 K 4.1016 8.5056 117.2177 58.4338 31.9509 177.8113 73 L 4.4055 8.4283 118.4777 53.8638 41.7880 175.7502 74 D 4.4877 8.1639 117.3547 55.4877 40.0686 172.9649 75 N 5.1125 8.0333 112.9646 50.5162 41.2248 174.5569 76 I 4.0356 9.0083 122.7926 62.0488 37.2898 176.7954 77 A 4.7146 9.1974 128.4671 52.4824 19.9344 176.4282 78 Q 4.5804 7.6983 112.7803 53.4998 32.9203 174.6656 79 V 3.7780 8.3983 120.0977 62.8609 32.0568 174.0351 80 P 4.7315 0.0000 0.0000 63.6057 32.3838 176.3347 81 R 5.3881 8.5007 122.3737 55.3099 33.6181 173.0832 82 V 4.0004 8.6885 120.9356 62.5705 32.3688 176.5239 83 G 3.0640 8.2173 115.6462 45.4510 0.0000 172.4671 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 4.38 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 21 K 8.42 3.86 0.00 1.70 1.53 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.24 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.47 1.07 7.81 22 T 8.74 4.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 23 E 6.86 4.98 0.00 1.74 1.77 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 2.19 2.22 0.00 24 W 9.05 5.08 0.00 3.37 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 25 P 0.00 4.37 0.00 2.24 2.35 0.00 3.77 0.00 0.00 3.80 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 8.26 4.16 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 8.08 4.46 0.00 1.94 1.75 0.85 0.55 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 28 V 7.49 3.85 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 0.76 0.00 0.00 0.98 0.00 0.00 29 G 9.25 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 0.00 0.00 0.00 30 K 7.86 4.35 0.00 1.90 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81 31 G 8.20 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.20 3.50 2.05 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 1.06 0.00 0.00 0.90 0.00 0.00 33 A 8.05 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.90 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 35 A 7.88 3.92 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 36 K 8.12 3.69 0.00 1.73 1.79 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.59 7.81 37 K 7.47 3.83 0.00 1.82 1.90 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 38 V 7.36 3.72 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 1.03 0.00 0.00 0.98 0.00 0.00 39 I 7.58 2.90 1.44 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.28 0.24 0.00 0.00 40 L 8.11 4.39 0.00 1.65 1.66 0.86 0.70 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 7.59 4.03 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 42 D 8.02 4.79 0.00 3.17 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 43 K 8.62 4.61 0.00 1.88 1.78 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.43 7.81 44 P 0.00 4.61 0.00 2.21 2.19 0.00 3.43 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 45 E 7.87 4.59 0.00 1.96 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 2.22 2.27 0.00 46 A 7.72 4.25 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 47 Q 9.33 4.24 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 48 I 8.11 4.79 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.79 0.00 0.00 49 I 8.18 4.50 1.75 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 1.05 0.94 0.80 0.00 0.00 50 V 8.21 4.67 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 0.80 0.00 0.00 0.85 0.00 0.00 51 L 8.61 4.94 0.00 1.29 1.49 0.84 0.81 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 52 P 0.00 4.88 0.00 2.16 2.21 0.00 3.75 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 2.11 1.99 0.00 53 V 8.68 4.01 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 0.92 0.00 0.00 54 G 8.70 3.95 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 0.00 0.00 0.00 55 T 7.41 3.98 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 56 I 8.36 3.93 1.89 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 1.43 0.75 0.92 0.00 0.00 57 V 8.17 4.52 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 0.99 0.00 0.00 1.05 0.00 0.00 58 T 8.28 4.35 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 M 8.35 4.42 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.09 0.00 60 E 8.05 4.12 0.00 2.09 2.04 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 2.30 2.40 0.00 61 Y 8.53 4.46 0.00 2.96 2.96 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 62 R 7.50 4.33 0.00 1.69 1.89 0.00 3.32 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 63 I 8.12 3.55 1.96 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 1.53 0.86 0.93 0.00 0.00 64 D 7.95 4.48 0.00 2.84 2.88 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 0.00 0.00 0.00 65 R 7.61 4.86 0.00 1.87 1.97 0.00 2.98 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 66 V 8.51 4.72 1.95 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 0.82 0.00 0.00 0.99 0.00 0.00 67 R 8.62 4.49 0.00 1.58 1.08 0.00 3.36 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 68 L 8.95 4.50 0.00 1.41 1.51 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.73 5.09 0.00 3.01 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 70 V 8.83 5.05 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 0.74 0.00 0.00 0.97 0.00 0.00 71 D 8.71 4.83 0.00 2.90 2.85 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 72 K 8.51 4.10 0.00 1.78 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.41 7.81 73 L 8.43 4.41 0.00 1.76 1.69 0.93 0.90 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 74 D 8.16 4.49 0.00 2.77 2.74 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 75 N 8.03 5.11 0.00 2.94 2.69 0.00 0.00 7.01 7.22 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 76 I 9.01 4.04 2.10 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 1.48 0.81 1.00 0.00 0.00 77 A 9.20 4.71 1.34 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 0.00 0.00 0.00 78 Q 7.70 4.58 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 79 V 8.40 3.78 2.14 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 0.87 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.73 0.00 2.37 2.02 0.00 3.89 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 81 R 8.50 5.39 0.00 1.54 1.62 0.00 3.27 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 82 V 8.69 4.00 2.21 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 0.95 0.00 0.00 1.16 0.00 0.00 83 G 8.22 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