NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8236 8.3549 109.7360 45.3967 0.0000 177.0506 2 S 4.3907 8.9376 127.3010 53.9960 62.8587 170.2307 3 P 4.7028 0.0000 0.0000 60.3730 33.5764 173.2065 4 P 4.6203 0.0000 0.0000 63.8268 31.8110 176.2430 5 E 4.1205 9.3449 122.3233 55.9890 27.4801 174.8289 6 A 4.8351 7.3225 120.0146 51.3962 19.1941 175.9117 7 D 4.7754 7.8993 117.7239 55.8975 47.3800 175.0345 8 P 4.3316 0.0000 0.0000 65.2018 31.0829 178.4134 9 R 4.0032 7.9240 120.1226 58.6626 29.0870 178.2374 10 L 4.3945 7.6335 119.6812 57.4370 42.1124 177.7712 11 I 3.8988 8.9224 117.5801 62.6818 37.4016 177.3748 12 E 3.8481 8.3468 119.7118 60.0603 29.7515 178.5026 13 S 4.1525 7.5442 111.0112 61.7767 62.1969 176.4224 14 L 4.1785 7.6058 121.7180 57.2565 41.1845 179.0059 15 S 3.6769 9.0489 115.7467 61.6748 62.7667 176.4479 16 Q 4.2050 7.6010 118.7052 58.5602 28.9345 177.2350 17 M 4.3988 7.7752 118.8921 57.6456 32.9034 177.4561 18 L 4.0846 8.6665 121.3638 57.6182 41.9979 178.4824 19 S 4.2875 8.1857 112.4186 60.9348 62.7798 174.6266 20 M 4.5575 8.1785 120.7840 55.5232 34.4190 175.8294 21 G 4.2710 8.7526 106.7418 45.4868 0.0000 173.0121 22 F 5.0587 7.7905 117.9383 56.6253 42.9166 173.2252 23 S 4.3863 7.6627 121.9411 56.5065 64.8005 174.1024 24 D 4.5278 7.8076 122.0349 52.8135 38.2365 176.0186 25 E 4.3742 8.9272 123.8490 56.7082 30.1154 177.2840 26 G 4.0662 8.3697 107.5818 44.8873 0.0000 175.6110 27 G 4.4046 8.1057 107.8758 45.5951 0.0000 175.9623 28 W 4.3342 7.7773 116.9188 59.7603 28.3419 177.8105 29 L 3.6170 5.6200 121.3305 57.6410 41.3377 178.9660 30 T 3.5958 8.6885 116.9301 66.4474 68.0897 175.5633 31 R 3.8427 7.1428 118.2614 60.2363 29.6964 177.4654 32 L 3.9253 8.4403 120.2024 57.4911 41.8486 178.2091 33 L 4.2501 7.7791 119.2430 58.7462 42.0471 179.2947 34 Q 3.5179 8.5604 117.9911 59.3092 28.3678 179.1600 35 T 3.4036 8.9737 116.3951 66.7573 68.4961 176.0925 36 K 3.8523 8.5443 120.1695 57.7875 32.0734 177.6312 37 N 4.7279 9.1532 116.4342 52.8105 38.5373 174.0152 38 Y 4.8677 7.0270 114.2134 56.8728 37.9022 177.9475 39 D 4.8229 8.4026 115.7762 51.4265 44.1103 175.3109 40 I 3.6677 8.2424 123.8119 63.0755 38.0146 178.1161 41 G 3.8296 7.5675 105.7968 48.1809 0.0000 175.4554 42 A 3.8598 7.0938 121.1342 54.6788 18.5064 179.2243 43 A 3.9294 7.4849 119.1636 54.7512 18.6896 179.1255 44 L 3.3107 8.9433 119.1019 58.3917 41.8782 179.0716 45 D 4.0725 7.4817 116.8299 56.4092 40.5732 177.5131 46 T 4.2956 8.6626 114.4955 63.4923 67.5059 176.2817 47 I 3.7675 7.6140 120.8793 63.4623 38.9168 175.8813 48 Q 4.3229 8.8155 121.4240 56.9515 35.3790 178.0701 49 Y 3.9730 6.6302 109.4020 56.7221 36.1351 175.1986 50 S 5.1206 7.4283 122.5676 58.6796 63.4883 179.4255 51 K 4.6074 8.8275 112.8637 54.9161 35.4819 174.0119 52 H 4.5704 8.8082 123.2739 56.4735 29.8147 174.7912 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 G 8.35 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 0.00 0.00 0.00 2 S 8.94 4.39 0.00 3.92 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 3 P 0.00 4.70 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 4 P 0.00 4.62 0.00 2.21 2.11 0.00 3.78 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 1.99 1.99 0.00 5 E 9.34 4.12 0.00 2.15 2.36 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 2.18 2.28 0.00 6 A 7.32 4.84 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 7 D 7.90 4.78 0.00 2.71 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 8 P 0.00 4.33 0.00 2.21 1.99 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 9 R 7.92 4.00 0.00 1.81 2.05 0.00 3.26 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 10 L 7.63 4.39 0.00 1.74 1.62 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.92 3.90 2.07 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 1.19 1.01 0.00 0.00 12 E 8.35 3.85 0.00 2.05 1.98 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 2.46 2.47 0.00 13 S 7.54 4.15 0.00 3.88 3.93 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 14 L 7.61 4.18 0.00 2.18 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 S 9.05 3.68 0.00 4.12 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 16 Q 7.60 4.20 0.00 2.38 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.08 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 17 M 7.78 4.40 0.00 2.30 2.52 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 3.15 0.00 18 L 8.67 4.08 0.00 1.78 1.83 0.97 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.19 4.29 0.00 4.09 4.20 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 20 M 8.18 4.56 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 21 G 8.75 4.27 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 0.00 22 F 7.79 5.06 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.66 4.39 0.00 3.87 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 24 D 7.81 4.53 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 25 E 8.93 4.37 0.00 2.26 2.19 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 2.36 2.41 0.00 26 G 8.37 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.11 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 0.00 0.00 0.00 0.00 28 W 7.78 4.33 0.00 3.64 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 L 5.62 3.62 0.00 0.27 0.82 0.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.69 3.60 4.23 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 1.20 0.00 0.00 31 R 7.14 3.84 0.00 1.90 2.16 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 32 L 8.44 3.93 0.00 1.79 1.57 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.78 4.25 0.00 1.61 1.64 1.13 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.56 3.52 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.40 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 35 T 8.97 3.40 4.23 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 1.19 0.00 0.00 36 K 8.54 3.85 0.00 1.76 0.75 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.66 1.43 7.81 37 N 9.15 4.73 0.00 2.41 3.21 0.00 0.00 6.68 7.26 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 38 Y 7.03 4.87 0.00 2.87 1.96 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 39 D 8.40 4.82 0.00 2.65 2.33 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 40 I 8.24 3.67 1.72 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 0.73 0.00 0.00 41 G 7.57 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 42 A 7.09 3.86 1.04 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 43 A 7.48 3.93 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 44 L 8.94 3.31 0.00 1.34 1.62 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.48 4.07 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 4.30 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 1.24 0.00 0.00 47 I 7.61 3.77 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 1.01 0.00 0.00 48 Q 8.82 4.32 0.00 1.75 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 49 Y 6.63 3.97 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.43 5.12 0.00 3.92 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.83 4.61 0.00 1.71 1.61 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.44 7.81 52 H 8.81 4.57 0.00 3.10 3.16 0.00 6.01 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