NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3688 8.3001 120.3277 54.9020 33.4561 174.1385 2 A 4.0204 8.3452 123.0555 51.3519 19.0596 175.1442 3 A 4.7971 7.7974 127.0416 49.9844 22.8329 173.7743 4 Q 4.0189 8.9024 118.4284 57.1048 28.9883 178.6881 5 K 4.1731 7.5585 125.0838 55.1096 33.8285 177.7826 6 S 5.4548 8.3435 129.2235 58.0446 64.0314 176.4553 7 F 4.6374 8.2554 126.8651 61.3504 38.9504 177.4135 8 R 3.9613 8.0897 118.1596 59.4368 29.3234 178.3887 9 I 3.7230 7.7512 119.1799 64.2170 37.1827 178.0964 10 K 4.0282 8.1039 120.0197 59.6016 32.2063 178.7244 11 Q 3.9012 7.7292 118.8287 58.6908 28.5369 178.8289 12 K 4.0445 7.8218 119.9037 60.1041 32.8509 179.2830 13 M 4.0923 7.8459 118.8725 58.0216 31.5168 178.5332 14 A 4.0220 7.9244 121.1315 54.9241 18.5527 179.6294 15 K 3.7580 8.0198 117.6468 59.5905 31.9806 178.9582 16 A 4.0285 7.8779 120.7589 54.9440 18.0013 179.5369 17 K 3.9181 7.7822 117.2680 59.3978 32.3231 178.7745 18 K 4.0863 7.4097 118.7936 59.6026 32.2694 178.3906 19 Q 3.8000 8.2994 118.6518 58.1223 29.4127 177.8072 20 N 3.6239 6.9728 113.3129 53.7966 39.0904 173.7129 21 R 4.2067 8.2048 126.6578 54.5823 31.6405 174.1153 22 P 3.7193 0.0000 0.0000 63.3427 27.8584 173.0675 23 L 4.2412 7.6156 130.7639 55.1366 49.0411 173.6735 24 P 4.4871 0.0000 0.0000 62.6314 30.0126 175.2974 25 Q 4.2958 7.5932 131.1495 57.2898 35.6363 174.8677 26 W 4.0306 4.9900 114.6205 58.7452 28.8511 177.9162 27 I 3.8229 5.9789 118.7836 63.6094 37.1884 177.5074 28 R 3.8491 7.1416 118.8810 59.0319 29.8392 178.1820 29 L 4.1050 7.2544 117.7357 57.1592 41.7361 178.6425 30 R 4.4499 7.7522 114.8783 55.6187 31.0572 176.2271 31 T 4.3537 7.4330 109.1822 60.7501 70.6530 173.4223 32 N 4.2174 8.5302 115.6086 54.9839 35.4678 174.8149 33 N 4.7776 7.9743 111.7187 53.0638 37.8106 173.9840 34 T 3.6328 7.6465 108.7527 61.5779 67.8960 172.6301 35 I 3.4217 8.0232 126.3256 61.0422 37.9976 174.2986 36 R 4.4903 8.1062 126.1995 55.4951 33.3479 173.7686 37 Y 3.8296 8.5556 120.0605 58.0749 39.7431 169.2504 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 2.03 2.11 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 2.51 2.55 0.00 2 A 8.35 4.02 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 3 A 7.80 4.80 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 4 Q 8.90 4.02 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.12 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 5 K 7.56 4.17 0.00 1.93 1.23 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.38 7.81 6 S 8.34 5.45 0.00 4.06 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 7 F 8.26 4.64 0.00 3.05 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 8 R 8.09 3.96 0.00 1.91 1.92 0.00 3.23 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 9 I 7.75 3.72 1.90 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 0.94 0.93 0.00 0.00 10 K 8.10 4.03 0.00 1.95 2.18 0.00 1.85 0.00 0.00 2.12 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.61 7.81 11 Q 7.73 3.90 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 12 K 7.82 4.04 0.00 1.94 2.04 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.47 7.81 13 M 7.85 4.09 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 14 A 7.92 4.02 1.38 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 0.00 0.00 0.00 15 K 8.02 3.76 0.00 1.85 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 16 A 7.88 4.03 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 17 K 7.78 3.92 0.00 1.81 1.86 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 18 K 7.41 4.09 0.00 1.83 1.95 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 19 Q 8.30 3.80 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 5.77 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 20 N 6.97 3.62 0.00 3.07 3.26 0.00 0.00 7.02 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 21 R 8.20 4.21 0.00 1.86 1.86 0.00 3.34 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 22 P 0.00 3.72 0.00 2.08 2.22 0.00 3.65 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 23 L 7.62 4.24 0.00 1.43 1.53 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.49 0.00 2.12 1.63 0.00 3.94 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 2.39 2.18 0.00 25 Q 7.59 4.30 0.00 1.81 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.91 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 26 W 4.99 4.03 0.00 3.66 3.33 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 27 I 5.98 3.82 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.12 0.24 0.00 0.00 28 R 7.14 3.85 0.00 1.63 1.93 0.00 3.23 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 1.55 1.72 0.00 29 L 7.25 4.10 0.00 1.96 1.72 0.95 0.84 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 R 7.75 4.45 0.00 1.81 1.99 0.00 3.38 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 31 T 7.43 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 1.21 0.00 0.00 32 N 8.53 4.22 0.00 2.90 2.96 0.00 0.00 6.73 8.00 0.00 0.00 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 N 7.97 4.78 0.00 2.72 2.90 0.00 0.00 6.29 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 34 T 7.65 3.63 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 35 I 8.02 3.42 1.86 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 1.30 0.81 0.90 0.00 0.00 36 R 8.11 4.49 0.00 1.90 1.76 0.00 3.47 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 37 Y 8.56 3.83 0.00 3.06 2.96 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