NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.4746 8.3049 118.7930 54.3492 33.0646 174.0642 5002 E 4.6646 8.0946 117.8317 53.4452 32.9430 173.1758 5003 P 4.0641 0.0000 0.0000 62.5155 32.9406 174.9286 5004 N 4.7847 8.4219 120.3443 51.0849 39.4840 172.0791 5005 P 4.0183 0.0000 0.0000 64.8583 31.8585 175.1015 5006 N 4.0364 7.9886 125.5372 54.9178 38.7844 175.1497 5007 R 4.5481 7.7741 121.5434 56.3002 31.6541 173.1748 5008 Q 4.5675 8.4389 124.2982 53.5682 31.3531 173.4702 5009 P 4.6951 0.0000 0.0000 61.6666 32.8298 175.5922 5010 V 4.4033 7.8726 118.9351 61.4964 33.5878 174.4298 5011 E 4.6179 8.1090 122.8694 54.9802 32.5020 174.7896 5012 L 4.1187 7.9974 124.4017 53.2506 43.8377 175.0034 5013 N 4.6919 8.4581 124.8841 51.8006 39.9333 175.8032 5014 R 3.6446 8.4447 119.5701 59.9396 30.0556 179.0244 5015 T 4.0289 7.9977 114.4585 66.9631 68.4179 176.4367 5016 S 4.0881 8.0422 116.1757 61.5397 62.9380 175.9466 5017 L 3.8358 7.9351 123.1077 58.7449 41.6684 178.6131 5018 Y 4.4425 8.1716 116.3963 61.4158 37.9171 178.9974 5019 L 4.2580 8.8774 120.0106 57.2532 41.6125 179.9362 5020 G 3.5364 8.4110 106.5283 47.9151 0.0000 175.6388 5021 L 4.0709 8.0334 122.4168 57.3805 41.6312 179.6885 5022 L 3.9828 8.0576 120.0815 57.9735 41.9901 178.7933 5023 L 3.9577 7.9559 120.2803 58.4265 41.9936 178.6463 5024 I 3.7184 8.4027 120.0749 64.3708 37.0837 178.0986 5025 L 3.9760 8.1759 119.4512 58.1383 41.5964 180.1645 5026 V 3.6138 7.8365 117.8198 66.0744 31.5037 178.0853 5027 L 4.1506 8.3358 118.7621 57.8017 41.4350 179.3791 5028 A 4.0670 8.2712 120.9593 54.7275 18.1895 179.3387 5029 L 4.0296 7.8094 118.2034 57.7097 42.1601 178.7107 5030 L 4.0766 7.7792 120.0476 58.2405 42.5221 178.6355 5031 F 4.1246 8.6172 117.6566 59.5110 38.8554 177.7928 5032 S 3.9750 7.8931 114.5358 61.8754 62.5887 176.9153 5033 S 4.2061 8.0284 117.9518 61.1591 62.3678 175.3549 5034 Y 4.4382 7.6196 116.9504 59.0658 37.9815 176.9264 5035 F 4.9601 7.8769 118.1665 59.9614 39.7838 177.5106 5036 F 4.3824 8.3486 116.6083 58.3674 38.8171 175.0390 5037 N 4.5362 8.1053 120.4949 54.0705 40.3897 173.3383 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 5001 M 8.30 4.47 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 5002 E 8.09 4.66 0.00 1.98 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 2.19 2.34 0.00 5003 P 0.00 4.06 0.00 2.03 2.00 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 5004 N 8.42 4.78 0.00 2.66 2.70 0.00 0.00 7.07 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 5005 P 0.00 4.02 0.00 2.07 1.94 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 5006 N 7.99 4.04 0.00 2.70 2.83 0.00 0.00 6.68 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5007 R 7.77 4.55 0.00 1.95 1.83 0.00 3.25 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 5008 Q 8.44 4.57 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 5009 P 0.00 4.70 0.00 2.03 1.96 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 5010 V 7.87 4.40 2.07 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 0.78 0.00 0.00 0.92 0.00 0.00 5011 E 8.11 4.62 0.00 1.90 1.73 0.00 0.00 0.00 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 2.28 0.00 5012 L 8.00 4.12 0.00 1.57 1.48 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 5013 N 8.46 4.69 0.00 2.95 2.93 0.00 0.00 6.17 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5014 R 8.44 3.64 0.00 1.85 2.01 0.00 3.05 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 5015 T 8.00 4.03 4.28 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 1.26 0.00 0.00 5016 S 8.04 4.09 0.00 4.08 3.90 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 5017 L 7.94 3.84 0.00 1.56 1.51 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5018 Y 8.17 4.44 0.00 3.17 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 5019 L 8.88 4.26 0.00 1.87 1.75 0.95 1.01 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 5020 G 8.41 3.54 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 0.00 5021 L 8.03 4.07 0.00 1.93 1.82 0.99 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 5022 L 8.06 3.98 0.00 1.81 1.84 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5023 L 7.96 3.96 0.00 1.83 1.80 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 5024 I 8.40 3.72 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.72 0.93 0.00 0.00 5025 L 8.18 3.98 0.00 1.83 1.77 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 5026 V 7.84 3.61 2.24 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 1.06 0.00 0.00 0.96 0.00 0.00 5027 L 8.34 4.15 0.00 1.99 1.77 0.90 1.05 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 5028 A 8.27 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5029 L 7.81 4.03 0.00 1.81 1.73 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5030 L 7.78 4.08 0.00 1.78 1.95 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 5031 F 8.62 4.12 0.00 2.90 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 0.00 0.00 0.00 5032 S 7.89 3.98 0.00 4.15 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5033 S 8.03 4.21 0.00 3.43 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5034 Y 7.62 4.44 0.00 3.07 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 5035 F 7.88 4.96 0.00 2.98 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 5036 F 8.35 4.38 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5037 N 8.11 4.54 0.00 2.96 2.83 0.00 0.00 7.06 7.50 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