NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2772 8.1127 120.8599 56.6065 32.0506 177.3313 2 M 3.9838 7.8640 116.9146 56.3156 32.1555 176.2937 3 K 4.1041 8.1517 118.2423 58.9007 33.5096 178.3780 4 Q 3.9007 8.0112 121.0106 59.1268 29.0770 177.5441 5 I 3.6714 7.2559 120.0104 64.6140 37.3120 177.8317 6 E 3.9173 7.8467 119.4171 59.3810 29.5013 178.3658 7 D 4.3722 8.2769 119.0432 57.5646 40.8599 179.1676 8 K 3.9979 8.3555 119.0426 59.3874 31.9821 179.4283 9 I 3.6887 7.8643 120.0643 64.6406 37.0732 178.4058 10 E 4.1463 8.1071 119.0115 59.4180 29.1794 179.3431 11 E 4.0149 8.3946 118.8094 59.1954 29.4345 179.3784 12 I 3.6878 8.0601 120.2119 64.4218 37.3310 178.1581 13 E 3.9370 8.2859 119.4359 59.5568 29.3278 179.4354 14 S 4.0792 8.0335 112.9882 61.3667 62.4908 176.1669 15 K 3.9958 8.2804 122.3363 59.5220 31.8443 178.8446 16 Q 4.0249 8.3554 118.7174 58.7462 28.6187 178.7579 17 K 3.9700 8.0016 119.3335 59.1234 32.0674 179.1322 18 K 3.8708 8.0700 119.9304 59.7286 32.0353 178.8275 19 I 4.2814 7.7315 121.1293 64.0816 37.0207 178.3375 20 E 3.9677 8.3674 119.4302 59.4595 29.2537 179.1866 21 N 4.3582 8.2853 116.5936 56.3190 38.6949 177.3584 22 E 3.9890 8.1425 120.0679 59.3265 29.4543 179.4053 23 I 3.6961 8.0393 119.8298 64.3377 37.3172 178.2670 24 A 3.9859 8.1389 121.5855 55.2873 18.2988 179.9216 25 R 3.8954 7.9898 116.4740 59.3526 30.0948 179.3476 26 I 3.7070 8.0408 119.8400 64.3529 37.1589 178.5150 27 K 3.9484 8.2974 119.5230 59.4339 32.0023 179.4113 28 K 3.9311 7.8933 118.1509 59.5454 31.9390 179.2004 29 L 4.0020 7.8543 120.1749 57.9417 41.9069 178.7443 30 L 3.9941 8.3645 119.5021 58.1392 41.5925 179.6143 31 Q 4.0358 8.2534 117.7530 58.7339 28.5752 178.7381 32 L 4.0619 7.8953 120.0504 58.1712 41.6796 179.7395 33 T 3.9550 8.2566 109.8914 64.6797 68.6533 176.4672 34 V 3.5819 8.1220 121.3620 65.7114 31.5255 177.8586 35 W 4.1739 8.4330 128.0721 60.3828 30.5256 178.2228 36 G 3.5951 8.6000 105.8194 47.7888 0.0000 175.7867 37 I 3.6579 7.9551 122.4857 63.9281 37.1529 178.2805 38 K 3.7618 7.8198 120.3860 59.6548 31.9435 178.8428 39 Q 3.6208 7.5292 118.0589 58.7367 28.5043 178.6360 40 L 3.9045 7.7965 120.0172 57.6887 41.5792 179.2773 41 Q 3.8710 8.3068 119.5779 59.2337 28.7834 178.2440 42 A 3.9322 7.5426 120.2292 55.1246 18.4344 179.2806 43 R 3.9438 7.7888 116.4389 59.5360 30.2811 178.4853 44 I 3.9221 7.7678 111.6822 63.0530 37.8902 176.3481 45 L 4.3542 8.0944 124.8599 54.6842 41.8207 176.1470 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 R 8.11 4.28 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 7.86 3.98 0.00 2.25 2.03 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 2.66 2.72 0.00 3 K 8.15 4.10 0.00 2.02 2.04 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.48 7.81 4 Q 8.01 3.90 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 5 I 7.26 3.67 2.10 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 1.41 0.71 0.91 0.00 0.00 6 E 7.85 3.92 0.00 2.02 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 0.00 2.49 2.35 0.00 7 D 8.28 4.37 0.00 2.97 2.86 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 8 K 8.36 4.00 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 9 I 7.86 3.69 2.01 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 1.52 0.73 0.91 0.00 0.00 10 E 8.11 4.15 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 11 E 8.39 4.01 0.00 2.26 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 0.00 2.33 2.39 0.00 12 I 8.06 3.69 2.01 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 1.52 0.76 0.91 0.00 0.00 13 E 8.29 3.94 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 2.33 2.45 0.00 14 S 8.03 4.08 0.00 3.91 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 15 K 8.28 4.00 0.00 2.09 1.79 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.52 7.81 16 Q 8.36 4.02 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 17 K 8.00 3.97 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 18 K 8.07 3.87 0.00 1.83 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.49 7.81 19 I 7.73 4.28 2.01 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 1.54 1.67 0.91 0.00 0.00 20 E 8.37 3.97 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 21 N 8.29 4.36 0.00 2.92 2.86 0.00 0.00 7.01 7.08 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 22 E 8.14 3.99 0.00 2.15 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 0.00 2.33 2.60 0.00 23 I 8.04 3.70 2.01 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 1.46 0.83 0.91 0.00 0.00 24 A 8.14 3.99 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 25 R 7.99 3.90 0.00 2.06 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 26 I 8.04 3.71 2.00 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 1.53 0.70 0.92 0.00 0.00 27 K 8.30 3.95 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 28 K 7.89 3.93 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.67 7.81 29 L 7.85 4.00 0.00 1.80 1.66 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.36 3.99 0.00 1.98 1.73 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.25 4.04 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 32 L 7.90 4.06 0.00 1.98 1.77 0.90 0.32 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 33 T 8.26 3.96 4.28 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 1.28 0.00 0.00 34 V 8.12 3.58 2.32 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 1.03 0.00 0.00 1.05 0.00 0.00 35 W 8.43 4.17 0.00 3.47 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.60 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.96 3.66 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.88 0.00 0.00 38 K 7.82 3.76 0.00 1.88 1.70 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.40 7.81 39 Q 7.53 3.62 0.00 1.76 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 40 L 7.80 3.90 0.00 1.76 1.66 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.31 3.87 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 42 A 7.54 3.93 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 43 R 7.79 3.94 0.00 1.89 2.03 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 44 I 7.77 3.92 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.68 0.94 0.00 0.00 45 L 8.09 4.35 0.00 1.58 1.59 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00