NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5569 8.0433 122.7602 54.8426 44.1326 175.0908 2 K 5.0289 9.0009 124.8903 54.4684 35.2323 173.3142 3 C 5.4192 9.9849 123.3844 54.9306 44.4311 173.0839 4 N 5.3907 9.0611 118.6631 53.5518 39.1200 174.4129 5 Q 4.8763 8.6320 118.1174 53.9876 32.4389 175.5759 6 L 4.4692 8.6949 118.1875 55.5934 42.6030 177.0605 7 I 4.3630 7.1931 119.9795 57.9950 39.4445 173.2001 8 P 3.2691 0.0000 0.0000 62.4009 31.2335 174.0647 9 P 4.2118 0.0000 0.0000 62.8860 31.3580 176.6691 10 F 4.2891 8.4719 115.4802 58.3341 36.9216 174.0013 11 W 5.8119 7.0375 115.9906 55.3573 31.3425 173.9781 12 K 4.6229 9.1211 120.7746 55.6883 35.6933 174.5459 13 T 4.8417 8.6761 123.6778 62.8971 69.3388 175.4209 14 C 4.7222 8.9249 125.1029 55.9259 40.7098 172.3050 15 P 4.5563 0.0000 0.0000 62.0097 31.8330 175.8860 16 K 4.2043 8.3688 119.3129 57.9977 32.2876 177.1507 17 G 3.9945 9.0421 111.4757 45.0869 0.0000 173.4513 18 K 4.4205 7.8500 118.8301 55.0169 32.1645 174.9275 19 N 5.1131 8.6059 121.1186 52.2872 38.2993 174.3114 20 L 5.0766 8.0633 117.8641 53.9647 46.2586 175.0352 21 C 5.5487 9.0759 119.2710 56.0589 37.2642 172.2766 22 Y 5.4774 8.6442 118.3848 55.7611 41.8859 173.4664 23 K 4.8330 9.0981 120.3477 54.7726 35.9957 174.3126 24 M 5.0350 8.8632 126.2190 54.0853 35.2023 174.2976 25 T 4.8601 8.4893 121.6020 61.9958 73.1274 172.9569 26 M 4.5957 8.4929 125.0108 54.7288 33.0467 177.6455 27 R 4.0358 8.8202 122.3736 59.2327 30.2986 178.3147 28 A 4.0873 8.1914 120.2273 54.3695 18.5730 177.6875 29 A 4.6981 7.8417 118.9919 50.1214 19.4219 174.8927 30 P 4.4115 0.0000 0.0000 64.3211 32.0607 178.2758 31 M 4.1922 7.8610 117.1519 55.6998 32.4458 175.9898 32 V 4.2360 7.2370 116.9667 59.9543 33.1543 173.2294 33 P 4.4656 0.0000 0.0000 63.0422 31.7180 177.1332 34 V 4.1079 8.2930 114.7166 62.7378 32.6826 176.2846 35 K 4.6216 7.6380 120.1835 55.1725 36.0196 174.6366 36 R 4.6720 8.1154 123.9550 54.7220 34.3684 174.6627 37 G 3.9978 7.4429 108.2818 46.8550 0.0000 171.1150 38 C 5.7190 9.1654 118.0427 55.7959 37.0815 173.0467 39 I 4.6119 8.7007 121.1480 60.4085 41.3026 174.9001 40 D 4.5054 8.6712 123.7166 54.0893 40.4950 177.1540 41 V 4.2632 7.2226 117.6765 60.2453 34.0960 175.0413 42 C 4.2633 8.6427 127.1772 55.5474 43.8380 171.4570 43 P 4.2456 0.0000 0.0000 61.6917 31.5337 176.1424 44 K 4.1088 8.1375 122.6084 56.2271 32.7904 177.1356 45 S 4.7368 8.6412 122.2005 58.6651 63.6284 173.7304 46 S 5.0178 8.3450 117.8757 56.6227 65.4736 173.5021 47 L 4.1358 8.6361 118.5989 57.7692 41.6439 178.1294 48 L 4.4374 7.8705 117.2553 55.2870 42.8855 176.0267 49 I 4.9119 7.5053 118.7527 59.2059 41.1646 174.7204 50 K 4.8567 8.7700 125.2296 54.8273 34.8697 174.8294 51 Y 5.4428 8.6834 120.9571 56.5067 41.4103 174.8799 52 M 4.9405 8.9365 121.5260 54.1936 35.7414 173.3258 53 C 5.8413 8.9626 122.1716 55.6574 45.4307 171.7003 54 C 5.0479 9.0141 114.9107 54.3870 45.2866 173.8632 55 N 5.1659 8.7728 114.4782 52.4850 37.3471 173.9818 56 T 4.6974 7.4759 108.1816 59.4643 71.8296 172.7979 57 D 4.5529 8.7544 121.6421 56.3889 41.1833 177.1518 58 K 3.9062 8.5996 124.1914 57.5685 30.2305 173.8110 59 C 4.5074 7.8478 111.9575 56.5775 42.7092 173.3540 60 N 4.5288 8.0897 122.1971 52.9391 37.2454 174.7130 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 L 8.04 4.56 0.00 1.82 1.64 1.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.00 5.03 0.00 1.72 1.72 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 C 9.98 5.42 0.00 2.89 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 4 N 9.06 5.39 0.00 2.76 2.81 0.00 0.00 6.70 7.31 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 5 Q 8.63 4.88 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 6 L 8.69 4.47 0.00 1.68 1.81 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.19 4.36 1.77 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 1.40 0.79 0.75 0.00 0.00 8 P 0.00 3.27 0.00 1.85 1.59 0.00 3.50 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 9 P 0.00 4.21 0.00 1.98 1.93 0.00 3.30 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.14 0.00 10 F 8.47 4.29 0.00 3.41 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.04 5.81 0.00 3.39 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 12 K 9.12 4.62 0.00 1.77 1.67 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 13 T 8.68 4.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 14 C 8.92 4.72 0.00 2.91 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 15 P 0.00 4.56 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 16 K 8.37 4.20 0.00 1.78 1.81 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.46 7.81 17 G 9.04 3.99 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 0.00 0.00 0.00 18 K 7.85 4.42 0.00 1.90 1.81 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.34 7.81 19 N 8.61 5.11 0.00 2.69 2.87 0.00 0.00 6.05 7.79 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 20 L 8.06 5.08 0.00 1.74 1.59 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.08 5.55 0.00 2.93 3.03 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 0.00 0.00 0.00 22 Y 8.64 5.48 0.00 3.20 3.02 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 23 K 9.10 4.83 0.00 1.80 1.66 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.31 7.81 24 M 8.86 5.04 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 25 T 8.49 4.86 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 26 M 8.49 4.60 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 27 R 8.82 4.04 0.00 1.67 1.99 0.00 3.21 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 28 A 8.19 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.70 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 30 P 0.00 4.41 0.00 2.18 2.18 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 31 M 7.86 4.19 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 32 V 7.24 4.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 33 P 0.00 4.47 0.00 2.05 1.94 0.00 3.70 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 2.01 2.09 0.00 34 V 8.29 4.11 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 0.60 0.00 0.00 0.99 0.00 0.00 35 K 7.64 4.62 0.00 1.81 1.60 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 36 R 8.12 4.67 0.00 1.68 1.84 0.00 3.22 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 37 G 7.44 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 38 C 9.17 5.72 0.00 2.94 3.08 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 39 I 8.70 4.61 1.55 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.07 0.78 0.00 0.00 40 D 8.67 4.51 0.00 2.79 2.90 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 41 V 7.22 4.26 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 0.76 0.00 0.00 0.88 0.00 0.00 42 C 8.64 4.26 0.00 2.94 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 43 P 0.00 4.25 0.00 0.49 1.40 0.00 3.13 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.56 0.00 44 K 8.14 4.11 0.00 1.68 1.69 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 45 S 8.64 4.74 0.00 3.98 3.86 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 0.00 0.00 0.00 46 S 8.34 5.02 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.14 0.00 1.67 1.78 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.87 4.44 0.00 1.74 1.69 0.92 0.77 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 49 I 7.51 4.91 1.77 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 1.14 0.70 0.37 0.00 0.00 50 K 8.77 4.86 0.00 1.62 1.67 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 51 Y 8.68 5.44 0.00 2.84 2.84 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 52 M 8.94 4.94 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 53 C 8.96 5.84 0.00 2.89 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 54 C 9.01 5.05 0.00 2.99 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 55 N 8.77 5.17 0.00 2.83 2.92 0.00 0.00 5.81 7.71 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 56 T 7.48 4.70 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 1.22 0.00 0.00 57 D 8.75 4.55 0.00 2.68 2.69 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 58 K 8.60 3.91 0.00 1.88 1.89 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.38 7.81 59 C 7.85 4.51 0.00 3.14 3.28 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 0.00 60 N 8.09 4.53 0.00 2.84 2.86 0.00 0.00 5.90 7.56 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