NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.4115 8.1627 118.1929 54.5314 32.8916 176.5148 5002 E 3.7392 8.2497 121.7807 59.2284 29.3008 177.2351 5003 T 3.6803 8.0788 116.4679 66.8298 68.9672 175.0515 5004 L 4.2639 8.0060 122.7471 57.9252 41.9665 179.0267 5005 K 3.7410 7.7567 118.9840 59.3604 32.1481 177.8345 5006 I 4.0674 7.2601 113.2472 63.8264 37.7149 177.7383 5007 T 3.8540 7.7882 111.6557 64.9732 68.1626 176.5484 5008 V 3.4877 7.9490 114.6971 64.7570 31.4681 178.0371 5009 Y 4.4545 6.8275 114.5240 61.3781 37.7051 178.8573 5010 I 3.8730 7.8322 120.4558 64.9309 37.1663 178.7310 5011 V 3.7936 7.4580 118.4562 65.6648 31.1781 178.4193 5012 V 3.5867 8.3360 119.3997 64.9212 31.5736 178.3927 5013 T 3.9106 10.0929 116.4632 66.4694 68.3662 176.2558 5014 F 4.1922 9.0077 122.4406 61.6798 39.5823 177.5646 5015 F 4.1387 8.5877 116.7572 60.7305 38.8560 177.7816 5016 V 3.7694 8.4420 118.1839 66.2915 31.2827 178.0736 5017 L 3.7528 8.9270 119.4673 57.5957 41.1836 179.2627 5018 L 4.0973 8.3597 119.9044 57.9618 42.2897 178.3136 5019 F 4.3672 8.8522 121.5041 61.0882 39.1342 176.9952 5020 V 3.2524 8.1728 117.4118 66.1606 31.4163 178.2581 5021 F 4.4401 8.2656 116.7457 59.7482 38.3965 177.6418 5022 G 3.6083 7.6981 105.1444 47.3448 0.0000 175.6954 5023 F 5.1840 7.7386 119.6658 58.8327 39.0021 177.6610 5024 L 4.2601 9.0122 120.4750 57.6594 41.2336 180.8699 5025 S 4.2319 7.4930 109.2063 57.8314 62.1882 172.9616 5026 G 3.7209 8.9810 109.9657 47.4531 0.0000 173.4435 5027 D 5.0493 8.2446 121.6169 52.9733 41.1156 176.6355 5028 P 4.3146 0.0000 0.0000 64.3949 31.3177 176.1337 5029 A 4.5861 7.5569 119.9622 51.4528 21.3342 175.9747 5030 R 3.8731 10.1619 114.5993 56.0681 25.9847 174.7773 5031 N 4.7062 7.2582 113.3134 51.5766 39.7280 171.6982 5032 P 4.2809 0.0000 0.0000 64.2110 31.2708 175.6200 5033 K 3.6400 8.3097 126.1790 61.7412 29.6271 177.1991 5034 R 3.8427 7.7020 108.7561 56.6920 29.0015 175.5477 5035 K 4.1045 8.0701 129.5932 57.5647 32.1191 176.2713 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 8.16 4.41 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 5002 E 8.25 3.74 0.00 2.18 2.03 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 2.41 2.54 0.00 5003 T 8.08 3.68 4.22 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 1.20 0.00 0.00 5004 L 8.01 4.26 0.00 1.70 1.61 0.87 0.65 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 5005 K 7.76 3.74 0.00 1.79 1.97 0.00 1.85 0.00 0.00 2.01 0.00 0.00 3.40 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.53 7.81 5006 I 7.26 4.07 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 1.11 0.00 0.00 5007 T 7.79 3.85 4.21 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 1.25 0.00 0.00 5008 V 7.95 3.49 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 0.63 0.00 0.00 0.63 0.00 0.00 5009 Y 6.83 4.45 0.00 3.29 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 5010 I 7.83 3.87 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.13 1.02 0.00 0.00 5011 V 7.46 3.79 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 0.89 0.00 0.00 1.06 0.00 0.00 5012 V 8.34 3.59 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 1.11 0.00 0.00 0.92 0.00 0.00 5013 T 10.09 3.91 4.38 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 1.25 0.00 0.00 5014 F 9.01 4.19 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5015 F 8.59 4.14 0.00 3.33 3.15 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 0.00 0.00 0.00 0.00 5016 V 8.44 3.77 2.25 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 1.12 0.00 0.00 1.04 0.00 0.00 5017 L 8.93 3.75 0.00 1.76 1.30 0.81 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5018 L 8.36 4.10 0.00 1.94 1.89 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5019 F 8.85 4.37 0.00 3.12 3.26 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 0.00 0.00 0.00 0.00 5020 V 8.17 3.25 1.96 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 0.97 0.00 0.00 0.99 0.00 0.00 5021 F 8.27 4.44 0.00 3.18 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5022 G 7.70 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5023 F 7.74 5.18 0.00 2.57 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5024 L 9.01 4.26 0.00 1.78 1.80 1.28 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 5025 S 7.49 4.23 0.00 4.09 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 5026 G 8.98 3.72 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 0.00 0.00 0.00 5027 D 8.24 5.05 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5028 P 0.00 4.31 0.00 2.03 2.10 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 5029 A 7.56 4.59 1.27 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 0.00 0.00 0.00 5030 R 10.16 3.87 0.00 2.00 2.25 0.00 3.43 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 5031 N 7.26 4.71 0.00 2.80 2.81 0.00 0.00 6.35 7.75 0.00 0.00 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 P 0.00 4.28 0.00 2.21 2.14 0.00 3.82 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 1.99 1.96 0.00 5033 K 8.31 3.64 0.00 1.96 2.00 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.35 7.81 5034 R 7.70 3.84 0.00 2.04 2.41 0.00 3.25 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 5035 K 8.07 4.10 0.00 1.81 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81