NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5871 8.1633 120.3277 55.1527 35.1766 176.6836 2 K 4.3736 8.1318 125.0928 55.0872 30.8930 176.0576 3 V 3.7583 9.0707 122.7029 63.0248 33.1383 173.6681 4 R 4.2280 7.2534 118.5051 56.6188 32.0596 174.3082 5 A 4.4124 8.4917 119.3152 52.4739 19.7454 177.0314 6 S 4.3952 7.7820 108.9027 56.2450 63.1028 172.0531 7 V 4.2465 8.1121 126.1470 60.8451 32.5844 175.0353 8 K 4.5387 7.9512 125.6232 55.1082 35.9839 175.3019 9 R 4.2744 8.4564 119.1253 56.1870 29.8320 176.4289 10 I 4.2129 8.6934 123.3882 59.9201 37.6454 175.1988 11 C 5.6335 8.0344 124.9699 57.6639 30.2511 174.4023 12 D 4.2388 8.5515 123.5391 56.6748 38.9092 178.4030 13 K 4.1036 8.0071 117.2025 58.3347 32.2529 176.6650 14 C 4.7772 8.4067 117.5303 59.3880 29.2781 173.4078 15 K 4.5719 9.2709 120.9847 54.6347 35.9642 175.9396 16 V 4.0989 8.6262 125.0179 62.7477 31.4295 175.1962 17 I 4.4779 8.8689 129.6930 59.3273 39.8840 176.0849 18 R 5.3041 8.0958 121.4567 54.6690 30.0133 175.5309 19 R 4.1119 7.8846 114.2430 57.2831 31.1234 175.9723 20 H 3.8524 9.1096 119.0422 57.1619 24.7957 176.0565 21 G 4.0428 8.2122 103.9225 46.1298 0.0000 173.3040 22 R 4.5217 7.7019 118.9390 54.0773 32.1218 175.2466 23 V 4.3503 8.3371 123.2536 62.9787 32.5476 174.4324 24 Y 4.9647 9.0393 125.7010 56.4582 41.8305 175.5293 25 V 5.4036 8.1096 120.0819 61.9136 34.5543 173.3971 26 I 4.8979 8.4636 128.5613 60.2542 40.4615 174.6154 27 C 4.7367 8.0746 122.9886 58.7983 33.9273 172.7960 28 E 4.0019 8.9821 118.9435 57.8355 29.7068 176.2298 29 N 4.7660 7.8192 116.9838 50.1017 37.9017 173.6442 30 P 4.2949 0.0000 0.0000 65.0520 31.1886 177.8429 31 K 4.1267 8.1295 118.7763 60.0793 32.1065 178.8107 32 H 4.1609 8.0315 114.2137 57.8962 28.4346 175.1597 33 K 4.1307 7.7667 119.8086 57.1563 32.3850 174.6736 34 Q 5.9679 9.7299 131.6782 55.3762 28.3547 173.9867 35 R 4.0942 8.1586 120.5239 55.4933 31.5030 173.9799 36 Q 4.3018 7.9683 128.0520 54.8365 30.2174 175.9276 37 G 3.6300 8.7273 111.9380 46.3356 0.0000 172.1867 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 4.59 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 2 K 8.13 4.37 0.00 1.81 1.17 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 V 9.07 3.76 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 0.89 0.00 0.00 0.89 0.00 0.00 4 R 7.25 4.23 0.00 2.07 2.00 0.00 2.83 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.39 0.00 5 A 8.49 4.41 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 6 S 7.78 4.40 0.00 3.77 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 7 V 8.11 4.25 2.06 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 0.95 0.00 0.00 0.91 0.00 0.00 8 K 7.95 4.54 0.00 1.64 1.67 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 9 R 8.46 4.27 0.00 1.80 1.89 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 10 I 8.69 4.21 1.29 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.73 0.00 0.00 11 C 8.03 5.63 0.00 3.26 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 12 D 8.55 4.24 0.00 2.81 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.01 4.10 0.00 1.78 1.92 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 C 8.41 4.78 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.27 4.57 0.00 1.77 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.36 7.81 16 V 8.63 4.10 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 0.80 0.00 0.00 0.95 0.00 0.00 17 I 8.87 4.48 2.07 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 1.29 0.75 0.88 0.00 0.00 18 R 8.10 5.30 0.00 1.75 1.84 0.00 3.08 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 19 R 7.88 4.11 0.00 2.01 1.87 0.00 2.83 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.28 0.00 20 H 9.11 3.85 0.00 3.48 3.55 0.00 5.97 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.21 4.04 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 0.00 22 R 7.70 4.52 0.00 2.21 1.85 0.00 3.32 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 23 V 8.34 4.35 2.08 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 1.05 0.00 0.00 0.95 0.00 0.00 24 Y 9.04 4.96 0.00 2.92 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 25 V 8.11 5.40 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 0.92 0.00 0.00 0.96 0.00 0.00 26 I 8.46 4.90 1.89 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 1.31 0.80 0.94 0.00 0.00 27 C 8.07 4.74 0.00 2.98 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 28 E 8.98 4.00 0.00 1.96 1.93 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 2.28 2.29 0.00 29 N 7.82 4.77 0.00 2.85 2.86 0.00 0.00 6.00 7.76 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 30 P 0.00 4.29 0.00 2.20 2.26 0.00 3.75 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 1.99 2.02 0.00 31 K 8.13 4.13 0.00 1.87 1.94 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.46 7.81 32 H 8.03 4.16 0.00 3.14 3.40 0.00 5.69 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 33 K 7.77 4.13 0.00 1.93 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.47 7.81 34 Q 9.73 5.97 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 35 R 8.16 4.09 0.00 1.36 1.70 0.00 2.83 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 36 Q 7.97 4.30 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 37 G 8.73 3.63 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 0.00 0.00 0.00