NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1324 8.1633 120.2813 55.4612 33.0849 176.2967 2 R 3.8860 8.0481 114.0797 55.8696 28.9352 176.1759 3 K 4.3888 7.5700 122.1646 54.4508 32.2196 174.1684 4 K 4.4461 7.6038 123.1575 54.3416 35.0582 175.5210 5 L 4.3725 7.6118 119.6390 53.4707 43.9581 176.0433 6 D 4.4829 8.7651 119.7237 54.1259 39.7922 175.9962 7 L 4.1015 8.4261 127.9666 57.9152 42.0592 178.1958 8 K 3.9346 8.1974 119.1987 59.4125 31.9242 178.8090 9 K 4.0777 8.2668 118.1134 60.0055 32.6755 178.5652 10 F 4.5592 8.1369 121.3609 61.1676 39.4536 177.1932 11 V 3.7633 8.3415 119.7166 65.4257 31.1428 177.6761 12 E 4.0734 8.4346 117.5980 58.8205 29.2732 178.3242 13 D 4.4389 7.5224 117.5255 56.8135 41.2311 176.2258 14 K 4.5807 7.8693 115.9649 55.6487 37.7388 176.1466 15 N 4.2034 7.2989 114.4419 52.9101 41.0081 174.8182 16 Q 4.2277 8.0253 113.7456 58.1251 29.1145 177.5405 17 E 4.1554 7.9462 123.2220 59.0404 29.7845 177.7137 18 Y 4.0553 7.9408 118.8852 60.7084 38.9564 177.5908 19 A 3.6282 7.8735 120.9962 54.8714 18.3194 179.0809 20 A 4.1263 7.9318 118.1893 54.4608 18.6960 179.5553 21 R 3.9692 7.8629 117.1180 59.4433 30.2841 178.1693 22 A 4.1033 7.8794 119.8266 54.2723 18.7274 177.6219 23 L 4.4357 7.7084 116.2859 53.8137 43.4011 177.3952 24 G 4.0713 7.8520 108.1799 42.6909 0.0000 171.8798 25 L 4.3687 7.4301 122.8465 54.0005 43.0544 175.6018 26 S 4.4575 8.1366 113.9481 57.6638 63.9831 175.0598 27 Q 3.9647 8.4358 122.9496 58.8707 28.5446 178.5854 28 K 3.8996 8.1350 120.1458 59.7321 32.1374 178.4025 29 L 4.3403 7.8657 119.7687 57.5116 41.6603 179.3719 30 I 3.7898 7.8318 119.6044 64.3753 36.9610 178.4243 31 E 3.9774 8.2555 119.5195 59.3842 29.3151 178.9001 32 E 3.9781 8.1291 118.6602 59.6808 29.5757 179.7512 33 V 3.7507 7.8675 117.9496 65.6134 31.4747 177.7830 34 L 3.9664 8.4452 120.8017 57.9435 41.8633 179.0083 35 K 3.9903 8.3466 117.7556 59.9154 32.6518 178.3448 36 R 4.0184 7.7262 115.2677 55.9696 30.8504 176.3450 37 G 3.9708 7.3280 106.4238 46.4419 0.0000 172.7939 38 L 4.4761 7.8555 117.5181 53.1166 44.1725 177.3100 39 P 4.5999 0.0000 0.0000 63.1220 31.6999 175.0900 40 V 4.8205 8.3127 124.3459 59.9611 34.1596 174.4426 41 Y 5.1260 8.7781 120.5285 56.4203 42.0169 175.3151 42 V 5.2803 8.2523 113.9188 59.3107 35.2145 175.1912 43 E 4.5373 8.9104 128.0943 54.4247 30.0686 175.3651 44 T 4.2315 8.2967 122.1388 63.3851 68.8027 173.1202 45 N 4.5375 8.0553 121.5782 53.5136 39.3709 174.8499 46 K 4.3366 6.8526 121.8932 57.4052 40.0102 176.9700 47 D 4.4984 8.1979 122.0163 56.0535 41.1857 176.2856 48 G 3.4540 7.2286 108.8515 45.3335 0.0000 173.9638 49 N 4.5185 8.1294 119.9571 53.5905 39.3208 174.0574 50 I 5.0851 8.2244 122.5983 59.4609 41.9042 174.0263 51 K 4.4440 8.4545 125.3693 54.9142 35.1754 175.8412 52 V 5.4822 7.5304 120.4417 60.3963 31.4627 173.8212 53 Y 4.3402 8.1217 120.8201 58.0786 36.5504 175.1871 54 I 4.5592 8.5177 124.4832 60.1356 40.6929 174.3456 55 T 5.1321 8.6292 123.7862 62.1186 69.5832 174.0692 56 Q 4.4696 8.7331 123.9226 55.8555 31.6928 175.3964 57 D 4.3410 9.6502 118.4647 54.9365 38.6249 174.4568 58 G 3.9710 9.0831 106.1914 45.3344 0.0000 173.2259 59 I 4.6004 7.7422 118.4765 59.7463 42.0296 174.5735 60 T 5.4472 8.7836 120.2901 60.2295 66.5251 172.2124 61 Q 4.4770 8.2000 124.6761 53.8215 30.9731 173.9846 62 P 5.0584 0.0000 0.0000 61.7310 29.7759 175.6479 63 F 3.8602 7.2940 123.5712 58.0551 36.1082 174.4450 64 P 4.8984 0.0000 0.0000 61.3808 32.0137 174.3149 65 P 4.3448 0.0000 0.0000 64.1835 31.4594 175.7648 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 4.13 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.23 0.00 2 R 8.05 3.89 0.00 2.05 2.07 0.00 3.18 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 3 K 7.57 4.39 0.00 1.80 1.70 0.00 1.56 0.00 0.00 1.98 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.30 7.81 4 K 7.60 4.45 0.00 1.00 0.74 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.00 1.03 7.81 5 L 7.61 4.37 0.00 1.62 1.50 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.77 4.48 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 4.10 0.00 1.80 1.72 1.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.20 3.93 0.00 1.91 2.18 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 9 K 8.27 4.08 0.00 1.95 1.97 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.60 7.81 10 F 8.14 4.56 0.00 3.08 3.30 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 11 V 8.34 3.76 2.26 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 1.19 0.00 0.00 1.00 0.00 0.00 12 E 8.43 4.07 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 13 D 7.52 4.44 0.00 2.62 2.62 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 0.00 0.00 0.00 0.00 14 K 7.87 4.58 0.00 1.68 1.68 0.00 1.75 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 0.83 7.81 15 N 7.30 4.20 0.00 2.91 2.91 0.00 0.00 5.88 7.32 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 16 Q 8.03 4.23 0.00 2.36 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 17 E 7.95 4.16 0.00 2.07 2.12 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 2.40 2.24 0.00 18 Y 7.94 4.06 0.00 2.96 2.79 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 19 A 7.87 3.63 1.29 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 0.00 0.00 20 A 7.93 4.13 1.46 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 0.00 0.00 0.00 21 R 7.86 3.97 0.00 1.94 2.07 0.00 3.31 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 22 A 7.88 4.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.44 0.00 1.94 1.68 0.93 0.85 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 24 G 7.85 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 25 L 7.43 4.37 0.00 2.05 2.04 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.14 4.46 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.44 3.96 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 28 K 8.14 3.90 0.00 1.80 1.84 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.51 7.81 29 L 7.87 4.34 0.00 2.05 1.98 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.83 3.79 2.13 0.00 0.00 0.89 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 0.94 0.94 0.00 0.00 31 E 8.26 3.98 0.00 2.20 2.01 0.00 0.00 0.00 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 2.51 0.00 32 E 8.13 3.98 0.00 2.23 2.06 0.00 0.00 0.00 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 2.69 0.00 33 V 7.87 3.75 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.88 0.00 0.00 34 L 8.45 3.97 0.00 1.74 1.94 0.94 0.42 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 35 K 8.35 3.99 0.00 1.86 1.94 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.43 7.81 36 R 7.73 4.02 0.00 2.23 2.03 0.00 3.37 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 37 G 7.33 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.48 0.00 1.56 1.61 0.99 0.97 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 39 P 0.00 4.60 0.00 2.21 2.19 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 40 V 8.31 4.82 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 0.90 0.00 0.00 0.84 0.00 0.00 41 Y 8.78 5.13 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 5.28 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 0.59 0.00 0.00 0.67 0.00 0.00 43 E 8.91 4.54 0.00 2.21 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 0.00 2.37 2.45 0.00 44 T 8.30 4.23 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 45 N 8.06 4.54 0.00 2.66 2.83 0.00 0.00 6.93 6.72 0.00 0.00 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 K 6.85 4.34 0.00 1.78 1.60 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 47 D 8.20 4.50 0.00 2.70 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 48 G 7.23 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.52 0.00 2.67 2.78 0.00 0.00 6.54 7.23 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 50 I 8.22 5.09 1.87 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 1.34 1.12 0.93 0.00 0.00 51 K 8.45 4.44 0.00 1.68 1.34 0.00 1.80 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.36 7.81 52 V 7.53 5.48 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.02 0.00 0.00 53 Y 8.12 4.34 0.00 2.89 2.67 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 54 I 8.52 4.56 1.47 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.48 0.78 0.00 0.00 55 T 8.63 5.13 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 1.21 0.00 0.00 56 Q 8.73 4.47 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.64 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 57 D 9.65 4.34 0.00 2.88 2.85 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 0.00 0.00 0.00 58 G 9.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 4.60 1.89 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 1.12 1.42 0.93 0.00 0.00 60 T 8.78 5.45 4.11 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 1.22 0.00 0.00 61 Q 8.20 4.48 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 62 P 0.00 5.06 0.00 1.69 0.80 0.00 3.30 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.50 0.00 63 F 7.29 3.86 0.00 2.91 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 64 P 0.00 4.90 0.00 2.11 2.14 0.00 3.63 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 1.83 1.87 0.00 65 P 0.00 4.34 0.00 2.14 1.92 0.00 4.05 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00