NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.3204 8.2393 119.7064 55.9574 30.4823 174.1470 -1 K 4.4422 7.8489 121.4859 54.8109 37.0447 180.0831 0 L 3.4755 8.9487 120.1175 55.4438 43.1709 180.7007 1 C 4.4621 7.7712 133.7854 60.1363 40.0854 174.9954 2 S 4.1265 8.5184 115.0488 59.0493 63.0391 174.1760 3 L 4.2899 7.9537 123.7497 53.8712 41.2682 175.3676 4 D 4.0908 9.0447 129.4759 55.5237 39.7876 173.2661 5 N 4.3986 8.3130 109.7154 53.2152 37.7756 174.3194 6 G 3.8340 8.6689 101.1409 45.6733 0.0000 174.6010 7 D 4.5856 8.3551 116.1831 54.3879 40.3650 173.4987 8 C 4.6449 7.9415 114.3921 56.5720 41.1202 173.7490 9 D 4.5302 8.5114 122.9132 57.0054 42.0901 177.3938 10 Q 4.5245 7.4470 112.1837 55.5358 30.7478 179.4715 11 F 4.6719 6.7776 127.8922 58.9178 40.1330 172.5264 12 C 5.5166 8.9150 122.3036 55.2366 44.5223 172.5967 13 H 5.0932 9.4413 122.6363 54.0060 32.6121 172.5481 14 E 5.0876 8.8786 121.2503 54.7767 30.9706 175.1886 15 E 4.6332 9.1162 123.6320 55.6525 31.9337 176.2482 16 Q 3.3964 9.6600 120.1548 57.1008 26.4927 174.0867 17 N 4.2943 8.4849 111.9783 53.8944 37.9745 172.9666 18 S 4.7799 8.4510 111.8479 56.7609 64.8321 172.4918 19 V 4.6653 8.1006 124.5494 61.8413 32.6759 175.4649 20 V 4.4433 9.2723 127.1938 60.2751 33.8337 174.2864 21 C 5.3763 8.9073 123.0729 56.3281 39.5208 172.6485 22 S 4.6910 8.6762 114.7521 57.9641 66.6917 171.7271 23 C 4.5924 8.4320 116.2183 54.5240 38.5883 173.9982 24 A 4.4755 8.5153 123.2236 51.4916 18.6786 177.4701 25 R 4.1909 8.4551 118.9959 58.0084 30.5604 177.6365 26 G 4.0245 9.4448 109.9068 45.1021 0.0000 172.1642 27 Y 5.3565 7.6957 115.7654 56.1884 41.9375 175.0214 28 T 4.7370 8.9877 111.5573 59.4183 72.1041 173.0916 29 L 4.4998 8.6199 126.4072 55.2565 42.9715 176.4874 30 A 4.3255 9.0933 128.3287 51.4003 19.4630 178.1075 31 D 4.4909 8.8194 118.9623 57.5668 40.8750 177.9482 32 N 4.4679 8.2051 113.4826 52.7276 37.5341 175.3860 33 G 4.0044 8.5375 106.8910 46.4540 0.0000 174.0120 34 K 4.4846 8.8083 118.3262 57.6558 35.3105 176.9255 35 A 4.7658 8.2889 120.5613 52.0631 19.9979 176.7622 36 C 5.3248 8.9715 117.0704 55.2884 38.3851 173.7198 37 I 4.6167 8.9041 125.6055 58.7687 38.8700 173.7298 38 P 4.0192 0.0000 0.0000 63.1846 31.2450 176.7964 39 T 3.9568 8.9407 121.7801 66.4299 68.8262 174.6550 40 G 3.8312 7.2755 109.2302 44.2018 0.0000 170.0624 41 P 4.1097 0.0000 0.0000 63.6445 32.5887 175.6802 42 Y 3.5486 7.7577 117.6295 58.5794 35.0455 168.7975 43 P 4.3665 0.0000 0.0000 62.0468 32.7498 176.7630 44 C 4.2437 8.4424 114.2470 59.5893 30.0211 174.7276 45 G 3.9410 8.8525 108.3055 45.8253 0.0000 173.2999 46 K 4.6308 7.3745 118.7452 54.1435 34.0176 176.4215 47 Q 4.2151 8.5622 122.9589 55.9157 29.3995 175.8195 48 T 4.3713 8.3851 112.0080 61.2791 69.8427 174.5780 49 L 4.6002 8.0767 123.7802 54.0450 42.9133 176.2293 50 E 4.6044 7.9149 122.0941 57.1179 28.8437 175.9028 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 -2 R 8.24 4.32 0.00 1.82 1.99 0.00 3.12 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 -1 K 7.85 4.44 0.00 1.98 1.88 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.37 1.52 7.81 0 L 8.95 3.48 0.00 2.01 1.10 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 1 C 7.77 4.46 0.00 3.22 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 2 S 8.52 4.13 0.00 4.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.95 4.29 0.00 1.66 1.66 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.04 4.09 0.00 2.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.40 0.00 2.98 2.80 0.00 0.00 7.57 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.67 3.83 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 0.00 0.00 0.00 7 D 8.36 4.59 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 7.94 4.64 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 9 D 8.51 4.53 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.45 4.52 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.91 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 11 F 6.78 4.67 0.00 3.10 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 12 C 8.92 5.52 0.00 2.97 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 13 H 9.44 5.09 0.00 3.24 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.88 5.09 0.00 1.83 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 0.00 2.22 2.28 0.00 15 E 9.12 4.63 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 2.18 2.24 0.00 16 Q 9.66 3.40 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.18 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 17 N 8.48 4.29 0.00 2.86 2.94 0.00 0.00 7.01 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 18 S 8.45 4.78 0.00 3.88 3.67 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 0.00 0.00 0.00 0.00 19 V 8.10 4.67 2.09 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 0.88 0.00 0.00 0.94 0.00 0.00 20 V 9.27 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 0.72 0.00 0.00 0.94 0.00 0.00 21 C 8.91 5.38 0.00 3.03 3.05 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 22 S 8.68 4.69 0.00 3.98 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 23 C 8.43 4.59 0.00 2.77 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 24 A 8.52 4.48 1.24 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 0.00 0.00 25 R 8.46 4.19 0.00 1.90 1.96 0.00 3.22 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 26 G 9.44 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.70 5.36 0.00 2.87 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 28 T 8.99 4.74 4.26 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 1.22 0.00 0.00 29 L 8.62 4.50 0.00 1.66 1.62 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.09 4.33 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 31 D 8.82 4.49 0.00 2.68 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 32 N 8.21 4.47 0.00 2.81 2.93 0.00 0.00 5.99 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 33 G 8.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.81 4.48 0.00 1.64 1.95 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.53 7.81 35 A 8.29 4.77 1.23 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 0.00 0.00 0.00 36 C 8.97 5.32 0.00 2.61 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.90 4.62 1.90 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 1.39 1.01 0.91 0.00 0.00 38 P 0.00 4.02 0.00 1.75 1.57 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 39 T 8.94 3.96 4.25 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 1.17 0.00 0.00 40 G 7.28 3.83 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 0.00 0.00 0.00 41 P 0.00 4.11 0.00 2.16 1.89 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 42 Y 7.76 3.55 0.00 3.12 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 43 P 0.00 4.37 0.00 1.56 1.57 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 44 C 8.44 4.24 0.00 3.22 3.20 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 0.00 45 G 8.85 3.94 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 0.00 0.00 0.00 46 K 7.37 4.63 0.00 1.89 1.76 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.60 7.81 47 Q 8.56 4.22 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.39 4.37 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 49 L 8.08 4.60 0.00 1.63 1.72 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.91 4.60 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 2.03 2.13 0.00