NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7322 8.3249 119.4797 57.4546 40.3688 173.7442 2 E 4.5362 8.4492 121.1873 53.4267 32.2286 174.4989 3 N 4.5564 9.4799 121.3136 53.9159 39.1828 174.4970 4 R 4.6738 8.3756 125.6080 56.1269 31.2299 178.9322 5 V 3.6350 8.2028 120.4785 65.8359 31.4200 177.1322 6 A 4.4100 8.0592 121.5773 54.8818 17.9882 179.3657 7 E 3.9588 8.1775 116.1282 59.5320 29.6089 179.6514 8 K 4.1163 7.8324 117.8564 59.4510 31.9647 179.4194 9 Q 4.1227 8.8120 118.8701 58.7423 28.3762 178.9011 10 K 3.9112 7.7912 119.7078 59.3305 32.5780 178.1229 11 L 3.9240 7.9815 120.8593 58.3790 41.7444 178.7368 12 F 4.3915 8.0133 114.4543 58.8612 39.2144 176.8193 13 Q 4.5182 7.6422 115.7041 54.4598 29.4028 175.3769 14 E 3.8640 7.2296 121.8217 56.5350 29.9039 176.8591 15 D 4.6196 8.5289 126.5922 53.3630 39.5920 174.6671 16 N 4.8206 8.2030 117.6148 51.1012 38.2060 175.5325 17 G 3.9649 8.2400 104.9021 46.4905 0.0000 173.6187 18 L 4.2240 7.5768 118.7085 52.9786 42.4662 175.5183 19 P 4.4774 0.0000 0.0000 62.2623 31.7195 177.5358 20 V 3.8223 8.5717 119.8705 65.2303 31.1267 177.7446 21 H 4.4245 8.2997 113.8682 56.9959 28.6949 175.4880 22 L 4.5868 8.1601 119.5100 54.3104 42.6430 177.6290 23 K 4.1747 7.9017 119.2015 57.8910 32.2914 177.7439 24 G 3.6519 8.7418 107.1315 46.5636 0.0000 172.2784 25 G 3.6856 7.5378 104.9348 44.1796 0.0000 173.9464 26 A 3.9939 8.8524 119.9218 55.5975 18.2474 180.0833 27 T 3.8711 7.9521 113.8129 66.9389 68.4379 176.1231 28 D 4.4531 7.8980 120.6475 57.5258 40.7898 178.6737 29 N 4.4577 7.9868 116.3409 56.3906 38.5025 177.5577 30 I 3.7029 7.7252 120.5633 64.2927 37.3607 177.9402 31 L 3.9475 8.0388 121.1271 58.3470 41.8166 178.2096 32 Y 4.1863 8.3925 119.6538 61.1365 38.8930 178.5980 33 R 3.5037 8.1587 118.8536 58.6933 29.9762 179.1976 34 V 3.4975 8.0687 118.6575 66.3672 31.4988 177.7819 35 T 3.8141 8.2399 115.6367 67.2756 68.3908 176.1640 36 M 3.9012 8.0947 119.8453 58.7587 32.0182 178.5923 37 T 3.8666 7.5533 115.5950 66.2905 68.7860 176.6582 38 L 3.9501 8.0514 121.2230 58.1474 41.6005 179.4104 39 C 4.0889 8.2879 116.5089 63.0803 28.1286 176.3747 40 L 4.1181 8.0079 120.5841 57.4107 41.1348 179.8194 41 G 3.6813 8.4662 106.2233 47.8229 0.0000 175.7158 42 G 3.8808 8.6291 109.3163 47.9873 0.0000 175.7672 43 T 3.9913 8.2589 118.2791 66.2570 68.4473 176.9166 44 L 4.0366 8.1965 121.0572 57.9243 41.5847 178.8683 45 Y 4.3775 8.7736 120.1741 60.8258 38.6993 178.3366 46 S 3.9018 8.5127 115.5866 61.1740 63.0161 176.4483 47 L 3.9598 8.2452 122.8294 57.8181 41.4527 178.5718 48 Y 4.1483 8.0783 119.3515 61.1495 38.5915 178.1051 49 C 4.0191 8.3007 117.5155 62.8209 28.3218 175.8313 50 L 4.0728 8.1819 122.0361 58.1947 41.3621 179.3420 51 G 3.6758 7.9301 104.9834 47.2459 0.0000 175.3725 52 W 4.1450 8.0774 130.4430 60.3617 30.6608 178.0784 53 A 3.9783 8.3968 119.0455 54.6561 17.8426 179.2823 54 S 4.0448 7.7836 112.7847 59.4187 63.1964 174.2591 55 F 4.6760 6.9172 119.3315 54.5493 41.2809 173.5369 56 P 4.4639 0.0000 0.0000 62.6202 32.3859 176.0497 57 H 4.3893 8.2727 114.9741 56.0749 29.4349 173.7477 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 F 8.32 4.73 0.00 2.87 3.09 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 2 E 8.45 4.54 0.00 2.04 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 2.23 2.39 0.00 3 N 9.48 4.56 0.00 2.71 2.78 0.00 0.00 6.89 7.65 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 4 R 8.38 4.67 0.00 1.90 1.91 0.00 3.51 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 5 V 8.20 3.64 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 1.03 0.00 0.00 0.98 0.00 0.00 6 A 8.06 4.41 1.35 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 0.00 0.00 7 E 8.18 3.96 0.00 2.16 2.02 0.00 0.00 0.00 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 2.42 0.00 8 K 7.83 4.12 0.00 2.06 2.09 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.75 1.73 7.81 9 Q 8.81 4.12 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 10 K 7.79 3.91 0.00 1.87 1.97 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 L 7.98 3.92 0.00 1.69 1.55 0.67 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.01 4.39 0.00 3.27 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 13 Q 7.64 4.52 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 14 E 7.23 3.86 0.00 2.07 1.92 0.00 0.00 0.00 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 2.23 0.00 15 D 8.53 4.62 0.00 2.68 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 16 N 8.20 4.82 0.00 2.80 2.82 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.24 3.96 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 0.00 0.00 0.00 18 L 7.58 4.22 0.00 1.79 1.59 0.94 0.93 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 19 P 0.00 4.48 0.00 2.27 2.19 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 20 V 8.57 3.82 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 0.83 0.00 0.00 0.89 0.00 0.00 21 H 8.30 4.42 0.00 3.28 3.42 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.16 4.59 0.00 1.50 1.59 0.69 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.90 4.17 0.00 1.90 2.23 0.00 2.02 0.00 0.00 2.07 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.40 7.81 24 G 8.74 3.65 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 25 G 7.54 3.69 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 0.00 0.00 0.00 26 A 8.85 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 3.87 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 1.24 0.00 0.00 28 D 7.90 4.45 0.00 2.94 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 29 N 7.99 4.46 0.00 3.05 2.94 0.00 0.00 7.06 6.69 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 30 I 7.73 3.70 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.92 0.00 0.00 31 L 8.04 3.95 0.00 1.99 1.86 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.39 4.19 0.00 3.17 3.31 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 33 R 8.16 3.50 0.00 1.86 1.88 0.00 3.27 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 34 V 8.07 3.50 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 1.10 0.00 0.00 0.94 0.00 0.00 35 T 8.24 3.81 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 M 8.09 3.90 0.00 1.63 1.54 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 37 T 7.55 3.87 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 1.17 0.00 0.00 38 L 8.05 3.95 0.00 1.83 1.72 nan 1.05 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 39 C 8.29 4.09 0.00 3.06 2.98 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 40 L 8.01 4.12 0.00 1.70 1.71 0.94 0.96 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 41 G 8.47 3.68 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 0.00 0.00 0.00 42 G 8.63 3.88 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 0.00 0.00 0.00 43 T 8.26 3.99 4.39 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 1.24 0.00 0.00 44 L 8.20 4.04 0.00 1.94 1.78 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.77 4.38 0.00 3.00 3.17 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 0.00 0.00 0.00 0.00 46 S 8.51 3.90 0.00 3.99 4.24 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 47 L 8.25 3.96 0.00 1.95 1.82 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.08 4.15 0.00 3.21 3.30 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 49 C 8.30 4.02 0.00 3.00 2.87 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 50 L 8.18 4.07 0.00 1.67 1.97 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.93 3.68 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 0.00 0.00 0.00 52 W 8.08 4.15 0.00 3.12 3.32 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 53 A 8.40 3.98 1.42 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 0.00 0.00 0.00 54 S 7.78 4.04 0.00 4.11 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.92 4.68 0.00 2.73 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 56 P 0.00 4.46 0.00 2.10 1.96 0.00 3.74 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 1.93 1.93 0.00 57 H 8.27 4.39 0.00 2.99 3.18 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00