NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 M 4.3922 8.1585 118.1953 54.7379 32.9897 175.6930 20 A 3.8865 8.7851 123.5386 55.4331 18.2588 179.0154 21 K 3.9740 8.1843 116.7536 59.3055 32.3466 177.7566 22 K 3.8870 7.9841 118.7583 59.4130 32.4130 177.8820 23 D 4.5890 8.4079 119.1812 57.6774 40.9493 178.9594 24 I 4.1295 7.5389 117.6628 62.6767 37.9249 176.5686 25 M 4.4229 7.4448 118.0688 54.9169 33.3015 176.8126 26 G 4.0929 8.1625 112.5681 45.8782 0.0000 172.8225 27 D 5.0664 8.4640 122.9532 52.3333 44.1630 175.1831 28 K 4.5698 8.0895 120.5038 55.0557 35.1943 175.9427 29 T 4.2429 8.4027 122.7922 63.3119 69.2994 174.2012 30 V 4.4771 7.8707 123.4613 61.2983 34.8692 174.5586 31 R 4.5236 8.2634 123.6023 55.2766 31.5479 176.1439 32 V 4.4390 7.8431 118.5026 60.0038 34.8314 175.0410 33 R 3.8465 8.7732 123.4672 56.9244 31.0229 177.5030 34 A 3.9892 8.6770 125.6488 55.1893 18.6925 179.1427 35 D 4.3577 8.1157 117.1954 56.7865 39.1903 178.7525 36 L 3.9789 7.8725 120.0352 57.5910 41.7462 178.6354 37 H 4.0583 8.2246 118.1831 59.6354 29.7016 176.7275 38 H 4.2672 8.6849 120.2552 59.2770 29.7254 177.0000 39 I 3.6169 7.5893 121.1880 64.7529 37.0077 178.4366 40 I 3.7024 7.4870 120.2933 64.0868 36.8135 178.5222 41 K 3.9731 7.8851 121.8158 58.9785 32.1107 178.8062 42 I 3.6328 7.9861 120.5449 64.3929 36.9537 177.9275 43 E 3.8975 8.0627 120.1703 59.5866 29.1156 179.0618 44 T 4.5290 8.3043 110.9257 64.1618 68.6746 176.2655 45 A 4.0014 7.9574 122.9378 55.4310 18.4219 179.3056 46 K 4.0856 7.8499 115.9550 59.9500 32.6512 179.1265 47 N 4.7624 8.7007 118.5167 52.1859 41.3856 174.9845 48 G 3.7408 8.1866 107.5463 46.3332 0.0000 172.4488 49 G 4.0731 10.3196 107.6109 45.6915 0.0000 172.2994 50 N 4.7829 8.0535 114.6868 50.6732 41.5060 175.6235 51 V 3.5399 8.1662 120.1676 65.9898 31.7065 177.6010 52 K 3.7757 8.1171 118.9010 59.6836 31.8526 177.5495 53 E 3.8653 8.2938 118.8961 59.6634 29.3442 179.1165 54 V 3.5763 7.4268 117.6256 66.1152 31.6094 177.5789 55 M 4.0042 8.3802 118.9092 58.7903 31.8322 178.3352 56 D 4.3905 8.6418 118.9019 57.6428 40.9952 179.0813 57 Q 3.9470 7.9985 117.6605 58.9092 28.9138 178.2565 58 A 4.0307 8.6025 122.0452 55.5571 18.3673 179.5405 59 L 3.9450 8.6019 118.7482 58.1245 42.0917 178.7176 60 E 3.9789 8.3567 119.4192 59.5326 29.7144 178.7457 61 E 3.9963 8.7680 118.9608 59.2397 29.3324 178.7456 62 Y 4.2022 8.0794 119.5542 60.8030 38.9428 178.1844 63 I 3.8167 8.0472 120.5713 64.6750 37.1358 178.7358 64 R 4.1660 8.1755 117.1896 58.3179 29.8411 178.0432 65 K 4.1244 7.2649 117.5305 57.5709 33.0692 176.8485 66 Y 4.4922 7.9151 114.5243 57.5990 40.1860 175.7471 67 L 4.9003 8.4637 120.7991 52.6242 42.9213 176.0546 68 P 4.2678 0.0000 0.0000 65.9666 31.5633 178.5801 69 D 4.3606 7.9896 117.0658 55.6860 39.5614 177.4078 70 K 4.1709 7.9829 118.0289 57.6809 32.3445 176.6798 71 L 4.3370 7.5283 125.7619 55.0508 42.2514 175.6369 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 19 M 8.16 4.39 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 20 A 8.79 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.18 3.97 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.50 7.81 22 K 7.98 3.89 0.00 1.75 1.98 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.53 7.81 23 D 8.41 4.59 0.00 2.85 2.77 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 0.00 0.00 0.00 24 I 7.54 4.13 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 1.52 0.51 0.91 0.00 0.00 25 M 7.44 4.42 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.49 0.00 26 G 8.16 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.46 5.07 0.00 2.64 2.56 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 0.00 0.00 0.00 28 K 8.09 4.57 0.00 1.62 1.61 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.50 7.81 29 T 8.40 4.24 4.23 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 1.20 0.00 0.00 30 V 7.87 4.48 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 0.79 0.00 0.00 0.91 0.00 0.00 31 R 8.26 4.52 0.00 1.81 1.81 0.00 3.23 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 32 V 7.84 4.44 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 0.77 0.00 0.00 0.94 0.00 0.00 33 R 8.77 3.85 0.00 1.89 2.15 0.00 3.18 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 34 A 8.68 3.99 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 35 D 8.12 4.36 0.00 2.90 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 36 L 7.87 3.98 0.00 1.86 1.77 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.22 4.06 0.00 3.32 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.68 4.27 0.00 3.34 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.59 3.62 2.05 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 1.51 0.61 0.89 0.00 0.00 40 I 7.49 3.70 1.92 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 1.59 1.08 0.87 0.00 0.00 41 K 7.89 3.97 0.00 1.77 1.94 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.34 7.81 42 I 7.99 3.63 1.91 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 1.31 0.60 0.87 0.00 0.00 43 E 8.06 3.90 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 44 T 8.30 4.53 4.23 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 1.19 0.00 0.00 45 A 7.96 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.85 4.09 0.00 1.93 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.68 7.81 47 N 8.70 4.76 0.00 2.83 2.79 0.00 0.00 7.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.19 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 0.00 0.00 0.00 49 G 10.32 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.05 4.78 0.00 2.83 2.88 0.00 0.00 7.06 7.73 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 51 V 8.17 3.54 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 0.99 0.00 0.00 0.86 0.00 0.00 52 K 8.12 3.78 0.00 1.86 1.81 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 53 E 8.29 3.87 0.00 2.20 2.22 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 2.39 2.41 0.00 54 V 7.43 3.58 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 0.97 0.00 0.00 0.92 0.00 0.00 55 M 8.38 4.00 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 56 D 8.64 4.39 0.00 2.80 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 57 Q 8.00 3.95 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 58 A 8.60 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.60 3.95 0.00 1.81 1.86 0.82 0.91 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 60 E 8.36 3.98 0.00 2.24 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 0.00 2.34 2.38 0.00 61 E 8.77 4.00 0.00 2.08 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 2.36 2.63 0.00 62 Y 8.08 4.20 0.00 3.21 3.25 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 63 I 8.05 3.82 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.78 1.02 0.00 0.00 64 R 8.18 4.17 0.00 1.77 1.99 0.00 3.16 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 65 K 7.26 4.12 0.00 1.75 1.91 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.14 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.04 7.81 66 Y 7.92 4.49 0.00 2.40 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.46 4.90 0.00 1.75 1.60 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.27 0.00 2.19 2.29 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 69 D 7.99 4.36 0.00 2.81 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 70 K 7.98 4.17 0.00 1.90 1.94 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.55 7.81 71 L 7.53 4.34 0.00 1.55 1.48 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00