NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4607 8.1633 120.3272 54.5118 33.5095 175.0311 2 K 3.6173 7.6305 118.2416 59.3944 32.8539 177.8358 3 A 4.0320 8.6935 127.7682 55.2815 20.3329 179.9877 4 K 3.9500 7.2730 115.6665 59.4927 32.4804 178.0113 5 E 4.0772 8.1355 117.9620 59.1269 29.7108 177.3265 6 L 4.0374 7.5347 117.9375 55.3469 41.2817 178.3586 7 R 3.9239 8.6135 116.5006 57.3352 29.4276 177.4021 8 E 3.9317 8.1204 115.4837 57.3932 29.9650 173.4455 9 K 3.8418 7.2211 128.2393 55.7457 33.6988 175.7332 10 S 3.8742 8.1641 119.9380 61.8695 62.5591 177.1306 11 V 3.4650 7.5385 121.3525 66.4677 31.9467 177.7054 12 E 4.8558 8.1130 118.6729 59.0319 29.3658 178.9299 13 E 4.2032 7.9515 119.6254 58.8717 29.4355 179.3375 14 L 3.9707 7.9113 118.9042 57.9999 41.3051 179.1799 15 N 4.5519 8.0930 115.2348 55.5324 37.4032 177.0035 16 T 4.0040 8.0156 119.7113 66.4151 68.5021 176.3020 17 E 3.9533 8.0219 118.9085 59.2038 29.6331 178.4228 18 L 3.8879 7.6526 121.3431 58.3170 41.1459 179.0847 19 L 4.0157 7.6069 117.7099 57.8044 41.5254 178.9532 20 N 4.2153 7.7882 116.8208 56.4356 38.0832 177.2752 21 L 4.2119 8.1147 120.6427 57.7315 40.8300 175.7937 22 L 3.7622 8.3827 127.2094 55.3810 41.8574 176.8149 23 R 4.5082 9.0038 130.8422 57.9553 28.7740 177.8075 24 E 3.9143 6.9891 117.5564 59.8629 29.2492 178.5919 25 Q 3.9400 8.7290 118.6098 59.3791 29.4648 178.0732 26 F 4.2542 7.9224 120.2442 61.7891 38.6755 176.4946 27 N 3.8655 9.9432 115.2943 56.5086 38.5492 177.0323 28 L 4.1285 7.9510 119.9689 58.2282 41.7814 180.0463 29 R 3.8265 8.0860 117.6000 59.4606 30.0037 178.6732 30 M 3.7777 8.1058 118.6275 58.5607 31.7441 178.3827 31 Q 4.0669 8.8599 117.9873 59.3057 29.2133 178.3326 32 A 4.1693 7.6992 119.5840 55.2725 18.5828 179.0291 33 A 4.0454 8.1713 118.1077 54.7810 19.4649 179.2100 34 S 4.5190 8.7856 115.4372 57.0513 61.3020 175.8427 35 G 3.6914 8.5574 117.8648 45.6651 0.0000 177.2765 36 Q 2.6786 9.7517 122.7992 57.3177 28.3723 170.5315 37 L 3.4192 8.3860 123.8592 56.3775 42.5375 173.8958 38 Q 4.4299 8.5283 119.8839 57.5979 31.0307 175.9806 39 Q 4.3091 8.0033 115.8143 55.5556 29.6045 176.4780 40 S 4.5966 8.6014 117.5876 59.6954 64.5077 175.6793 41 H 4.3200 8.2658 117.7774 57.7510 27.7714 177.1405 42 L 3.8995 7.4600 121.4036 57.8279 40.9013 178.5955 43 L 4.1094 8.2803 119.4871 57.3936 41.3705 179.1858 44 K 3.7500 7.9386 119.1828 59.7863 32.1934 177.3656 45 Q 4.2384 7.8199 115.9465 56.0953 31.2477 175.5181 46 V 3.6829 8.5795 123.5748 64.8309 31.2750 173.8553 47 R 3.8861 7.3490 119.0961 59.7605 29.7376 178.7579 48 R 3.9335 7.5578 117.1047 59.3842 30.2207 178.6030 49 D 4.0183 8.1601 118.2122 57.5342 40.6311 179.1797 50 V 3.6133 8.3521 118.7726 65.5992 31.2978 177.7415 51 A 4.0262 7.9831 120.5899 55.4048 18.1658 179.0356 52 R 4.2162 8.8185 117.9421 59.9272 29.8191 178.3921 53 V 3.6334 7.4804 116.3516 66.3178 31.6605 178.0961 54 K 4.1097 8.5921 116.8799 59.5035 31.6783 179.3201 55 T 4.0337 8.8624 117.2735 66.8161 68.4692 175.0308 56 L 4.6171 8.1102 120.6022 54.4863 44.1648 175.7120 57 L 4.1770 8.5317 123.6613 56.2873 41.2486 175.1533 58 N 4.4132 6.9086 115.8829 55.3139 39.2664 176.6061 59 E 3.9239 8.2304 116.1058 59.6579 30.0789 179.6289 60 K 3.7581 7.9392 117.4645 59.0832 32.2349 177.5564 61 A 3.9132 7.8410 120.7460 52.4433 18.4659 175.7470 62 G 3.2291 8.3869 113.0989 44.9425 0.0000 173.4624 63 A 4.3037 7.7201 129.3777 51.9796 19.2734 177.3364 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 M 8.16 4.46 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 2 K 7.63 3.62 0.00 1.94 1.66 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.56 7.81 3 A 8.69 4.03 1.30 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 0.00 0.00 4 K 7.27 3.95 0.00 1.76 2.01 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 5 E 8.14 4.08 0.00 2.22 1.99 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 2.73 2.42 0.00 6 L 7.53 4.04 0.00 1.87 1.62 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.61 3.92 0.00 2.05 1.99 0.00 3.22 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 8 E 8.12 3.93 0.00 2.35 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 9 K 7.22 3.84 0.00 2.18 2.04 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.44 7.81 10 S 8.16 3.87 0.00 3.90 3.84 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 11 V 7.54 3.47 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 0.86 0.00 0.00 0.93 0.00 0.00 12 E 8.11 4.86 0.00 2.50 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 13 E 7.95 4.20 0.00 2.22 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 2.51 2.38 0.00 14 L 7.91 3.97 0.00 1.90 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.09 4.55 0.00 3.02 3.07 0.00 0.00 7.04 7.15 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 16 T 8.02 4.00 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 1.21 0.00 0.00 17 E 8.02 3.95 0.00 2.24 2.21 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 2.36 2.64 0.00 18 L 7.65 3.89 0.00 1.92 1.85 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.61 4.02 0.00 2.00 1.71 0.98 0.67 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 20 N 7.79 4.22 0.00 2.79 2.90 0.00 0.00 6.82 6.59 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 21 L 8.11 4.21 0.00 1.87 1.93 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.38 3.76 0.00 1.45 1.84 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.00 4.51 0.00 2.12 2.17 0.00 3.47 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 24 E 6.99 3.91 0.00 2.26 2.17 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 2.49 2.35 0.00 25 Q 8.73 3.94 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 26 F 7.92 4.25 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.94 3.87 0.00 2.98 2.80 0.00 0.00 7.12 6.62 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 28 L 7.95 4.13 0.00 1.94 1.72 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.09 3.83 0.00 1.95 1.94 0.00 3.20 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 30 M 8.11 3.78 0.00 1.65 1.77 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 31 Q 8.86 4.07 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 32 A 7.70 4.17 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 33 A 8.17 4.05 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 34 S 8.79 4.52 0.00 3.81 3.82 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 35 G 8.56 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 36 Q 9.75 2.68 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 5.98 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 37 L 8.39 3.42 0.00 1.69 1.57 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.53 4.43 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 39 Q 8.00 4.31 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 40 S 8.60 4.60 0.00 4.02 4.09 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 41 H 8.27 4.32 0.00 3.44 3.62 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.46 3.90 0.00 1.52 1.70 0.57 0.93 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 43 L 8.28 4.11 0.00 1.75 1.71 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.94 3.75 0.00 1.87 2.01 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.62 7.81 45 Q 7.82 4.24 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 5.69 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 46 V 8.58 3.68 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 0.99 0.00 0.00 0.98 0.00 0.00 47 R 7.35 3.89 0.00 2.41 1.92 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 48 R 7.56 3.93 0.00 2.02 1.96 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 49 D 8.16 4.02 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.61 2.35 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 1.01 0.00 0.00 0.96 0.00 0.00 51 A 7.98 4.03 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 52 R 8.82 4.22 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 53 V 7.48 3.63 2.21 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 0.94 0.00 0.00 1.06 0.00 0.00 54 K 8.59 4.11 0.00 1.99 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.48 7.81 55 T 8.86 4.03 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 1.21 0.00 0.00 56 L 8.11 4.62 0.00 1.78 1.65 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.53 4.18 0.00 1.94 1.84 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 58 N 6.91 4.41 0.00 3.05 2.73 0.00 0.00 6.76 7.54 0.00 0.00 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 E 8.23 3.92 0.00 2.18 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 0.00 2.37 2.42 0.00 60 K 7.94 3.76 0.00 1.85 1.93 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 61 A 7.84 3.91 1.30 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 0.00 0.00 62 G 8.39 3.23 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 0.00 63 A 7.72 4.30 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