NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3719 8.3049 118.1960 54.2233 32.5231 174.5798 2 K 3.5864 8.5681 118.5928 56.7492 31.9352 176.0214 3 R 4.4232 8.4599 123.7202 54.9492 32.5043 176.3859 4 T 3.9654 8.4405 113.1184 64.5513 67.4811 174.0841 5 W 4.8477 8.0959 131.0089 56.5610 31.4088 176.0101 6 Q 4.0405 7.3001 123.8915 52.4216 29.3022 171.9727 7 P 3.3483 0.0000 0.0000 62.9970 32.2083 176.7026 8 N 4.3605 8.1738 117.4376 52.5558 40.9225 174.6482 9 R 3.8982 8.7682 127.8100 59.2999 30.0604 178.2901 10 R 3.8659 7.9857 117.4891 60.2569 30.2369 178.1109 11 K 3.8383 8.1306 118.4631 59.5396 32.1423 178.0923 12 R 4.0962 8.8123 118.8377 59.7123 30.0352 178.7339 13 A 4.0518 8.4282 120.7025 54.9159 18.3504 178.8875 14 K 4.2612 8.0740 114.9503 57.7010 32.3768 177.1895 15 T 4.4734 7.5818 105.1894 62.5701 70.5527 174.3235 16 H 4.8695 8.2178 115.8652 54.9752 30.2904 174.2572 17 G 3.8807 8.1059 109.7696 44.9625 0.0000 174.6357 18 F 3.9041 9.1168 122.0987 61.4946 39.4105 177.3353 19 R 4.0321 8.4297 116.6030 59.6312 28.5992 178.3997 20 A 4.0233 8.1261 119.4964 55.4642 18.3087 179.7572 21 R 3.7918 8.4410 116.5086 59.8366 30.0097 179.3226 22 M 3.9692 7.8557 117.0220 57.8984 31.8550 178.5845 23 R 3.9565 7.5451 118.1484 58.5939 31.0107 176.4987 24 T 4.3480 6.8885 113.7184 60.1309 68.6276 173.3040 25 P 4.3538 0.0000 0.0000 66.2742 31.1844 178.9548 26 G 3.6740 8.1286 105.0988 47.3420 0.0000 175.7094 27 G 4.0840 7.9137 109.4624 47.0950 0.0000 176.0147 28 R 3.8408 8.4736 120.8841 58.8581 30.1181 178.9395 29 K 3.8051 8.1715 118.5674 59.6768 32.0265 178.9575 30 V 3.5601 7.4801 117.6477 66.5761 31.3100 177.3740 31 L 3.8372 7.5844 117.4970 58.1330 41.4519 179.2183 32 K 3.8016 8.0047 118.6001 60.1234 32.3209 179.0580 33 R 3.9598 8.0439 117.8161 59.3409 29.9148 179.4192 34 R 3.9503 8.3218 118.1537 59.2594 30.0562 178.9535 35 R 3.9093 8.6174 118.1854 59.4005 29.9012 178.4200 36 Q 4.0357 8.4229 118.2700 59.3958 29.0710 178.3705 37 K 4.0275 7.5533 118.5447 59.2303 33.6246 177.2522 38 G 4.0973 8.5562 105.2369 46.4652 0.0000 172.5309 39 R 4.4768 7.4164 117.7169 55.7190 31.7453 177.2020 40 W 4.6468 8.6965 117.5498 57.5842 29.7203 177.3036 41 R 4.5466 7.7352 116.2152 54.2692 31.5536 174.5679 42 L 4.1817 8.8915 123.2195 57.3556 41.9011 177.9476 43 T 4.6747 7.6333 110.5035 59.0073 69.7983 171.5812 44 P 4.2804 0.0000 0.0000 63.0831 32.0063 175.6180 45 A 4.4964 8.2821 123.3650 51.2095 20.0775 177.8322 46 V 4.2841 7.9253 119.6044 61.2950 32.9830 176.0760 47 R 4.2999 8.3744 128.7682 53.0212 28.2240 177.0497 48 K 3.9754 7.7073 121.7604 57.1764 32.4288 174.0549 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 8.30 4.37 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 K 8.57 3.59 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.52 7.81 3 R 8.46 4.42 0.00 1.85 1.94 0.00 3.40 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 4 T 8.44 3.97 4.30 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 1.30 0.00 0.00 5 W 8.10 4.85 0.00 3.31 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 6 Q 7.30 4.04 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.59 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 7 P 0.00 3.35 0.00 1.92 2.05 0.00 3.39 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 8 N 8.17 4.36 0.00 2.59 2.51 0.00 0.00 7.17 7.65 0.00 0.00 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 R 8.77 3.90 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.28 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 10 R 7.99 3.87 0.00 1.87 1.96 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 11 K 8.13 3.84 0.00 2.01 1.97 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.57 7.81 12 R 8.81 4.10 0.00 2.12 2.11 0.00 3.48 0.00 0.00 3.50 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 13 A 8.43 4.05 1.40 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 14 K 8.07 4.26 0.00 1.94 1.83 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 15 T 7.58 4.47 4.10 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 0.00 0.00 0.00 1.19 0.00 0.00 16 H 8.22 4.87 0.00 3.38 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.11 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 9.12 3.90 0.00 3.21 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 19 R 8.43 4.03 0.00 1.95 2.04 0.00 3.42 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 20 A 8.13 4.02 1.36 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 0.00 0.00 0.00 21 R 8.44 3.79 0.00 1.81 1.81 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 22 M 7.86 3.97 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 23 R 7.55 3.96 0.00 1.84 2.12 0.00 3.24 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 1.64 1.64 0.00 24 T 6.89 4.35 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 1.27 0.00 0.00 25 P 0.00 4.35 0.00 2.29 2.30 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 26 G 8.13 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 0.00 0.00 0.00 27 G 7.91 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 28 R 8.47 3.84 0.00 1.95 1.95 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 29 K 8.17 3.81 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 30 V 7.48 3.56 2.27 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 1.09 0.00 0.00 0.99 0.00 0.00 31 L 7.58 3.84 0.00 1.86 1.65 0.78 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 32 K 8.00 3.80 0.00 1.76 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 33 R 8.04 3.96 0.00 2.08 1.97 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 34 R 8.32 3.95 0.00 2.06 2.00 0.00 3.33 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 35 R 8.62 3.91 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 36 Q 8.42 4.04 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 37 K 7.55 4.03 0.00 1.83 2.09 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.49 7.81 38 G 8.56 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.42 4.48 0.00 1.90 1.98 0.00 3.36 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 40 W 8.70 4.65 0.00 3.21 3.25 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 0.00 41 R 7.74 4.55 0.00 1.80 1.90 0.00 3.29 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 42 L 8.89 4.18 0.00 1.80 1.84 1.09 0.91 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 43 T 7.63 4.67 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 P 0.00 4.28 0.00 2.12 2.01 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 A 8.28 4.50 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 46 V 7.93 4.28 2.13 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 0.91 0.00 0.00 1.00 0.00 0.00 47 R 8.37 4.30 0.00 1.87 1.90 0.00 3.37 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 48 K 7.71 3.98 0.00 1.71 1.65 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.23 7.81