NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 R 4.2627 8.2393 119.7061 55.5757 32.3260 174.7879 53 N 4.0143 7.4395 113.2412 50.8300 39.0628 173.2109 54 D 4.3130 8.6235 119.2142 57.6277 41.4793 180.0975 55 A 3.9852 8.0765 120.7204 55.1011 18.2674 179.1005 56 E 3.8389 8.3759 118.0142 59.5849 29.6898 178.9716 57 R 3.9690 8.0452 116.5590 59.5468 30.2427 178.5704 58 L 4.0744 8.2199 118.7450 57.5082 41.7606 178.9337 59 A 3.9367 7.9790 120.3319 55.5632 18.2740 179.3310 60 D 4.5621 7.9824 117.6808 57.1335 41.2242 178.3501 61 E 4.4058 8.2594 120.5897 58.7873 29.3241 179.5131 62 Q 3.9896 7.9808 118.0842 58.9399 28.9948 177.9668 63 S 4.1370 8.0829 115.4541 61.7963 62.6621 176.1619 64 E 3.9442 8.1250 121.3859 58.8293 28.9267 179.2876 65 L 3.9929 7.6311 119.6163 57.6682 41.7085 179.7367 66 V 3.6252 8.4359 118.5306 65.5737 31.3020 177.8265 67 K 3.9203 8.8753 120.3391 59.5952 31.7658 178.7704 68 K 3.7203 8.2189 118.6378 59.7583 31.5407 179.1325 69 M 4.0568 7.7765 118.4484 58.8340 32.3333 178.5840 70 V 3.7106 8.2977 118.5569 65.3418 31.4343 177.7434 71 F 4.4133 9.0331 121.8718 61.4686 39.3461 176.5852 72 D 3.9485 7.8087 117.1731 57.4077 40.9031 177.8865 73 T 3.8259 7.5362 115.7361 66.9889 68.5102 176.0944 74 L 4.0320 7.9865 120.4078 57.8701 41.6868 179.4989 75 K 3.7671 7.5117 119.2133 59.9375 32.0626 178.6019 76 D 4.3918 7.9298 118.3442 57.0832 40.4503 178.6022 77 L 3.9797 7.9310 119.2136 58.3109 41.9851 178.9483 78 Y 4.0154 8.4392 116.3367 60.2898 37.6264 177.6799 79 K 3.8546 7.8839 120.2930 59.7007 32.2777 178.2572 80 K 4.3250 7.6504 118.0481 58.5604 32.2849 176.4345 81 T 4.3252 7.7370 113.6520 61.2153 68.4660 173.0799 82 T 4.2888 8.2349 122.3885 62.1362 67.7490 173.4236 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 52 R 8.24 4.26 0.00 2.04 2.06 0.00 3.41 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 53 N 7.44 4.01 0.00 2.95 2.91 0.00 0.00 6.39 7.19 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 54 D 8.62 4.31 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.38 3.84 0.00 2.04 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 0.00 2.30 2.34 0.00 57 R 8.05 3.97 0.00 1.81 2.00 0.00 3.26 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 58 L 8.22 4.07 0.00 1.93 1.68 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.98 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.98 4.56 0.00 2.83 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 61 E 8.26 4.41 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 62 Q 7.98 3.99 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 63 S 8.08 4.14 0.00 4.05 4.13 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 0.00 0.00 0.00 64 E 8.13 3.94 0.00 2.22 2.27 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 2.50 2.38 0.00 65 L 7.63 3.99 0.00 1.87 1.77 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.44 3.63 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 1.15 0.00 0.00 0.97 0.00 0.00 67 K 8.88 3.92 0.00 1.93 1.94 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 68 K 8.22 3.72 0.00 1.90 1.95 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.70 7.81 69 M 7.78 4.06 0.00 2.24 2.15 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 2.61 2.56 0.00 70 V 8.30 3.71 2.15 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 0.99 0.00 0.00 1.00 0.00 0.00 71 F 9.03 4.41 0.00 3.13 3.27 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 72 D 7.81 3.95 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.54 3.83 4.42 0.00 0.00 0.00 0.00 0.00 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 74 L 7.99 4.03 0.00 1.89 1.84 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.51 3.77 0.00 1.67 1.73 0.00 1.40 0.00 0.00 1.09 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 76 D 7.93 4.39 0.00 2.86 2.69 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 0.00 0.00 0.00 0.00 77 L 7.93 3.98 0.00 1.84 1.75 0.97 1.08 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 78 Y 8.44 4.02 0.00 3.03 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 79 K 7.88 3.85 0.00 2.01 1.94 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 80 K 7.65 4.33 0.00 1.76 1.79 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 81 T 7.74 4.33 4.20 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 0.00 0.00 0.00 1.09 0.00 0.00 82 T 8.23 4.29 4.50 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 0.00 0.00 0.00 1.25 0.00 0.00