NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3960 8.2493 123.5817 51.7995 21.9544 178.4495 2 K 3.9660 8.4462 113.9426 56.4379 31.3602 175.4670 3 T 4.5708 9.3972 109.1075 59.6795 74.5775 172.5328 4 I 4.0285 7.8526 129.9390 59.9590 37.5258 172.0761 5 K 4.9205 8.2970 122.6970 54.8428 34.9982 176.2537 6 I 4.4830 8.6713 126.7578 60.4554 39.8033 174.6604 7 T 4.7096 7.8253 116.6520 62.8648 72.0952 175.3663 8 Q 3.7764 8.9180 126.4002 57.6111 28.7898 175.1579 9 T 3.4713 7.3061 112.6989 62.7670 67.4438 172.1431 10 R 4.6279 7.2531 121.0653 54.1106 33.5842 175.9692 11 S 4.2958 8.3550 113.3906 58.3528 63.2514 173.5016 12 A 4.8573 8.0634 125.8035 51.7857 19.2903 177.8569 13 I 3.9086 7.7198 123.2921 64.7065 37.6804 178.6075 14 G 4.0840 7.8676 105.5161 45.2170 0.0000 173.4728 15 R 4.3698 7.7772 118.5432 54.9109 31.1852 176.3882 16 L 4.1742 8.2456 118.7924 54.2436 42.2209 176.9482 17 P 4.3069 0.0000 0.0000 65.7604 31.1930 179.1287 18 K 4.0928 7.9554 116.5280 59.0337 31.9842 178.9959 19 H 4.3562 8.1164 117.0383 58.9756 28.5905 177.8053 20 K 3.4019 8.2154 118.2791 59.2921 32.0725 178.9606 21 A 4.1364 7.7020 121.5479 55.3182 18.4325 179.6350 22 T 3.7882 8.0626 108.1800 65.0366 68.5587 175.9119 23 L 3.8850 8.4857 123.2715 57.8531 42.1704 178.7068 24 L 4.1756 7.9665 120.1281 58.1396 41.9175 178.9241 25 G 3.7854 8.0385 103.7385 48.0295 0.0000 174.8347 26 L 4.2128 8.1683 119.7707 54.9044 41.5120 179.0888 27 G 3.9776 8.4748 106.8377 45.1865 0.0000 174.1344 28 L 4.0419 7.3290 119.7142 55.5905 41.3264 175.5728 29 R 4.3395 7.9137 120.8906 57.5614 33.0387 178.5113 30 R 4.2807 7.2590 116.1204 55.6197 31.7349 177.0345 31 I 4.2292 8.2060 110.1806 61.3702 37.3073 177.2725 32 G 4.0401 7.9658 105.4506 47.2758 0.0000 174.2301 33 H 3.6629 7.9285 117.7175 57.4472 30.0615 172.0874 34 T 3.8880 8.0977 130.5531 62.9004 66.0965 171.5851 35 V 4.3723 7.7465 124.4648 59.3838 34.5642 173.7567 36 E 4.9338 8.4922 121.0199 54.6681 30.6154 174.5909 37 R 4.7240 8.3303 129.4023 56.1899 33.1964 172.7256 38 E 4.6895 8.5906 118.3939 55.3207 32.4103 176.4018 39 D 4.7682 8.3173 119.8212 54.1734 42.1349 176.7233 40 T 4.3862 7.8952 113.6192 61.6933 70.8652 173.1745 41 P 4.3426 0.0000 0.0000 65.7818 31.4738 178.7280 42 A 4.0987 7.8866 119.0708 55.3081 18.3516 179.3872 43 I 3.5950 7.6985 116.4390 63.9550 37.6625 177.3851 44 R 4.0640 8.5229 119.1326 57.8861 30.1463 178.1896 45 G 3.4714 8.2173 105.8106 47.9831 0.0000 175.9018 46 M 4.2409 7.9741 120.3923 57.9784 31.7786 178.7147 47 I 3.7221 7.3786 119.7991 64.3591 37.2191 177.5314 48 N 4.2688 7.6110 117.4023 57.4741 38.5142 175.5773 49 A 4.0797 7.6337 119.3499 56.0198 18.9202 177.6488 50 V 3.9740 7.4492 105.5271 60.5822 32.5073 179.5052 51 S 4.2632 8.3027 117.4346 60.7982 62.9070 175.8956 52 F 4.5618 8.6663 113.3979 58.4256 37.7750 174.9802 53 M 4.6394 7.4931 121.2552 54.6763 32.9936 175.2903 54 V 5.3242 7.5312 110.1378 60.9637 36.6156 173.9436 55 K 4.6314 8.3249 119.4871 55.1997 36.3165 175.8927 56 V 4.4185 8.4103 123.8756 61.6078 33.9103 175.0750 57 E 4.5430 8.4006 123.9171 54.8583 33.1577 175.8408 58 E 4.2122 8.7908 123.3336 56.3996 29.8091 176.2649 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 A 8.25 4.40 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 2 K 8.45 3.97 0.00 1.95 1.68 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.43 7.81 3 T 9.40 4.57 4.40 0.00 0.00 0.00 0.00 0.00 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 4 I 7.85 4.03 2.00 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 1.70 0.79 0.90 0.00 0.00 5 K 8.30 4.92 0.00 1.65 1.66 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 I 8.67 4.48 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.67 0.88 0.00 0.00 7 T 7.83 4.71 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 1.23 0.00 0.00 8 Q 8.92 3.78 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.27 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 9 T 7.31 3.47 4.08 0.00 0.00 0.00 0.00 0.00 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 10 R 7.25 4.63 0.00 1.69 1.82 0.00 3.28 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 11 S 8.35 4.30 0.00 3.82 3.76 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 12 A 8.06 4.86 1.22 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 0.00 0.00 13 I 7.72 3.91 1.89 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 1.24 0.58 0.92 0.00 0.00 14 G 7.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 4.37 0.00 1.89 2.08 0.00 3.37 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.07 0.00 16 L 8.25 4.17 0.00 1.30 1.46 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.31 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 K 7.96 4.09 0.00 1.78 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 H 8.12 4.36 0.00 3.46 3.40 0.00 5.63 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 20 K 8.22 3.40 0.00 1.74 1.91 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.80 7.81 21 A 7.70 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 3.79 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 1.37 0.00 0.00 23 L 8.49 3.88 0.00 1.82 1.86 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.97 4.18 0.00 1.93 1.95 0.92 1.16 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 25 G 8.04 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.21 0.00 1.85 1.70 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.47 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 28 L 7.33 4.04 0.00 1.78 1.66 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.91 4.34 0.00 1.48 1.71 0.00 3.11 0.00 0.00 3.17 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 30 R 7.26 4.28 0.00 1.85 1.86 0.00 3.08 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 31 I 8.21 4.23 1.86 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 1.34 0.52 0.90 0.00 0.00 32 G 7.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.93 3.66 0.00 3.27 3.28 0.00 6.06 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 34 T 8.10 3.89 4.22 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 1.27 0.00 0.00 35 V 7.75 4.37 1.87 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 0.87 0.00 0.00 0.86 0.00 0.00 36 E 8.49 4.93 0.00 1.96 1.85 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 2.18 2.26 0.00 37 R 8.33 4.72 0.00 1.81 1.68 0.00 3.33 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 38 E 8.59 4.69 0.00 1.86 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 2.25 2.35 0.00 39 D 8.32 4.77 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 4.39 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 1.21 0.00 0.00 41 P 0.00 4.34 0.00 2.01 2.15 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 42 A 7.89 4.10 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 43 I 7.70 3.59 1.87 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 1.66 1.19 0.98 0.00 0.00 44 R 8.52 4.06 0.00 1.99 2.03 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 45 G 8.22 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 7.97 4.24 0.00 2.07 2.25 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 2.89 2.64 0.00 47 I 7.38 3.72 1.97 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 1.57 1.42 0.90 0.00 0.00 48 N 7.61 4.27 0.00 2.70 3.03 0.00 0.00 7.18 8.03 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 49 A 7.63 4.08 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 50 V 7.45 3.97 1.77 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 0.64 0.00 0.00 0.92 0.00 0.00 51 S 8.30 4.26 0.00 4.01 4.31 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 52 F 8.67 4.56 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 53 M 7.49 4.64 0.00 1.50 1.52 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.03 0.00 54 V 7.53 5.32 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 0.73 0.00 0.00 0.99 0.00 0.00 55 K 8.32 4.63 0.00 1.63 1.62 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 56 V 8.41 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.92 0.00 0.00 57 E 8.40 4.54 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 58 E 8.79 4.21 0.00 1.92 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 2.24 2.34 0.00