NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 5.0603 8.5398 119.9469 57.3577 34.5312 173.9666 2 K 4.0293 7.8205 116.8212 56.1277 34.4269 172.9000 3 D 4.6224 8.5484 120.0245 52.7051 43.2555 177.9240 4 G 3.1611 5.3800 105.9257 45.1783 0.0000 170.8398 5 Y 4.3547 7.4637 119.1957 55.3330 39.4486 173.7115 6 P 4.4726 0.0000 0.0000 63.3206 32.2937 175.6024 7 V 4.9439 8.1563 118.0201 58.4437 33.9901 177.5400 8 D 4.7963 7.9197 122.6382 52.5179 40.5204 176.6261 9 S 4.1607 8.6858 112.3525 61.4318 63.1530 175.0898 10 G 3.6601 8.1315 108.3576 45.6083 0.0000 172.5998 11 N 4.0967 7.9943 116.9676 55.0856 37.4392 173.5778 12 C 4.6735 7.9418 114.8630 54.2356 41.9068 173.6608 13 K 4.8817 8.2305 125.1591 56.1647 32.9993 176.5714 14 Y 4.1781 7.9129 122.6664 59.1441 39.0125 176.6118 15 E 4.6323 8.5599 122.8200 56.6491 32.4045 173.2696 16 C 5.3013 7.9053 113.4508 56.1983 43.8360 173.1114 17 L 5.1293 9.0012 116.7929 55.1517 44.0776 176.3082 18 K 5.0428 8.1304 116.2148 54.7908 35.3778 174.6983 19 D 4.8578 8.6730 116.1803 56.6606 41.7421 178.7243 20 D 4.5113 8.1474 119.3967 56.3604 39.6163 177.7415 21 Y 4.4187 8.1348 120.7272 60.5636 38.7473 178.3611 22 C 3.9872 8.1323 117.2310 59.6804 41.5735 175.0849 23 N 4.3988 8.0997 119.9807 56.8025 38.5514 175.6463 24 D 4.3555 8.3381 119.6514 56.5430 41.1262 177.4074 25 L 3.8069 8.0516 120.9207 58.4605 42.0925 179.2680 26 C 4.1958 8.2446 116.6659 59.9242 40.4725 175.6729 27 L 4.1875 7.8500 121.9865 57.4149 40.9681 179.6034 28 E 4.0253 7.7867 116.9513 59.1605 29.4639 178.7973 29 R 4.1001 7.2590 115.0150 56.2919 30.1476 177.1029 30 K 3.9540 7.8716 119.1224 56.1334 31.4266 175.4261 31 A 4.5939 7.6957 119.0529 50.6595 20.0001 178.5262 32 D 4.4677 8.9914 121.9947 56.8429 41.6905 176.3248 33 K 4.9628 7.8073 115.5912 55.5326 36.6508 174.6944 34 G 4.6453 8.3848 103.8960 46.3478 0.0000 172.4872 35 Y 5.5460 8.6019 122.2849 55.2665 41.8347 173.1518 36 C 4.9088 9.1624 120.3394 55.4918 39.0279 174.0186 37 Y 4.3641 8.4718 128.9314 58.1762 38.1652 176.8956 38 W 4.0313 9.3873 130.0726 56.6133 28.0330 177.7067 39 G 4.1508 10.6106 108.2700 46.6895 0.0000 173.1101 40 K 3.8671 8.4432 114.6831 56.8542 31.3523 174.6043 41 V 4.4146 8.2915 118.2245 62.9579 32.3238 176.6183 42 S 4.5358 5.8100 117.0209 58.7285 69.7180 175.1569 43 C 5.0635 8.5845 119.2302 58.6079 38.7949 172.8984 44 Y 3.9538 8.4961 119.3722 57.4496 41.8320 173.7156 45 C 5.0680 7.9109 124.7239 56.0644 45.0773 172.9631 46 Y 5.3353 8.7014 117.0685 58.3130 40.3047 174.3899 47 G 3.4946 8.8291 112.8419 44.6379 0.0000 171.7410 48 L 4.2027 7.6878 121.4904 53.6695 42.4492 175.2250 49 P 4.5988 0.0000 0.0000 62.6469 31.7824 176.9898 50 D 4.3420 8.6193 121.0162 57.9421 40.8271 178.1164 51 N 4.3424 8.0073 114.4783 53.8255 37.5740 173.9048 52 S 3.8562 7.6437 114.5193 57.6223 62.2915 171.8817 53 P 4.4032 0.0000 0.0000 63.4652 31.8544 175.7189 54 T 4.9776 8.1759 114.0664 58.6828 72.1919 173.3734 55 K 3.5117 8.0455 122.5257 59.3866 32.1346 174.8060 56 T 4.0514 8.3499 124.2435 64.0884 68.2652 176.6779 57 S 4.6977 8.5791 119.1098 56.5096 64.0668 173.4213 58 G 3.9807 7.1850 108.3896 45.7952 0.0000 170.7107 59 K 4.5837 8.2080 118.5294 54.2694 35.8088 177.5495 60 C 4.3370 8.4308 120.6053 56.6269 41.4598 170.6441 61 N 4.7174 8.1024 122.4050 50.6884 39.0057 173.1821 62 P 4.2160 0.0000 0.0000 63.4682 32.1912 176.4674 63 A 4.0184 8.4710 122.0866 52.8593 18.4464 177.7938 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 K 8.54 5.06 0.00 1.76 1.90 0.00 1.20 0.00 0.00 2.37 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.30 7.81 2 K 7.82 4.03 0.00 1.96 1.86 0.00 1.27 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.54 7.81 3 D 8.55 4.62 0.00 2.45 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 5.38 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.46 4.35 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.45 2.27 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 7 V 8.16 4.94 1.89 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 0.61 0.00 0.00 0.97 0.00 0.00 8 D 7.92 4.80 0.00 2.93 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 9 S 8.69 4.16 0.00 3.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.13 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 0.00 0.00 0.00 11 N 7.99 4.10 0.00 2.83 2.92 0.00 0.00 6.92 7.13 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 12 C 7.94 4.67 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.88 0.00 1.79 1.76 0.00 0.74 0.00 0.00 1.97 0.00 0.00 2.68 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.19 7.81 14 Y 7.91 4.18 0.00 2.92 2.95 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 15 E 8.56 4.63 0.00 1.87 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 2.27 2.24 0.00 16 C 7.91 5.30 0.00 3.31 3.24 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 0.00 0.00 0.00 0.00 17 L 9.00 5.13 0.00 1.78 2.00 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.13 5.04 0.00 1.93 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.49 7.81 19 D 8.67 4.86 0.00 2.86 2.76 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 0.00 0.00 0.00 0.00 20 D 8.15 4.51 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.13 4.42 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 22 C 8.13 3.99 0.00 3.23 3.14 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 0.00 0.00 0.00 0.00 23 N 8.10 4.40 0.00 3.10 2.87 0.00 0.00 6.42 8.56 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 24 D 8.34 4.36 0.00 2.92 2.61 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 25 L 8.05 3.81 0.00 1.37 1.33 0.33 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.24 4.20 0.00 3.18 3.11 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 0.00 0.00 0.00 27 L 7.85 4.19 0.00 1.83 1.72 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.79 4.03 0.00 1.95 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 2.31 2.32 0.00 29 R 7.26 4.10 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.06 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 30 K 7.87 3.95 0.00 1.88 2.01 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.50 7.81 31 A 7.70 4.59 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 32 D 8.99 4.47 0.00 2.75 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.81 4.96 0.00 1.84 1.86 0.00 1.18 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.52 7.81 34 G 8.38 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.60 5.55 0.00 3.32 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 36 C 9.16 4.91 0.00 3.35 3.38 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 0.00 37 Y 8.47 4.36 0.00 3.12 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 38 W 9.39 4.03 0.00 3.39 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 10.61 4.15 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 0.00 0.00 0.00 40 K 8.44 3.87 0.00 1.97 1.94 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.44 7.81 41 V 8.29 4.41 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.24 0.00 0.00 42 S 5.81 4.54 0.00 3.74 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.58 5.06 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.50 3.95 0.00 2.36 1.84 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 45 C 7.91 5.07 0.00 2.67 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 46 Y 8.70 5.34 0.00 3.10 2.93 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 0.00 0.00 0.00 47 G 8.83 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.20 0.00 1.76 1.54 0.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.60 0.00 2.42 1.96 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 50 D 8.62 4.34 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.01 4.34 0.00 2.80 2.93 0.00 0.00 5.89 7.63 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 52 S 7.64 3.86 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.40 0.00 2.08 1.98 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 54 T 8.18 4.98 4.30 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 1.21 0.00 0.00 55 K 8.05 3.51 0.00 1.74 1.82 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.44 7.81 56 T 8.35 4.05 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 1.19 0.00 0.00 57 S 8.58 4.70 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.19 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.21 4.58 0.00 1.66 1.64 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.71 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.35 7.81 60 C 8.43 4.34 0.00 2.84 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 61 N 8.10 4.72 0.00 2.67 2.70 0.00 0.00 7.27 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.22 0.00 2.07 1.96 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 63 A 8.47 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00