NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3799 8.2493 123.5818 51.2383 20.1553 176.3987 2 V 4.2821 7.3495 117.7824 59.5893 34.1973 172.6244 3 Q 4.4064 9.1373 121.0886 55.8602 31.0652 176.2846 4 Q 4.4302 8.4719 112.9203 55.7427 31.3381 174.4047 5 N 5.0459 7.9535 113.3649 51.1046 41.7541 172.7960 6 K 4.3559 8.3105 120.4350 54.5408 32.4973 172.7126 7 P 4.3056 0.0000 0.0000 61.7835 31.0014 175.9110 8 T 3.9605 8.1224 116.6480 61.9520 68.4379 174.5894 9 R 3.9159 8.9286 124.6957 59.6349 29.7751 178.9498 10 S 4.0681 7.9933 112.8349 61.7422 62.9871 176.3767 11 K 4.1243 8.3050 122.5162 57.3770 31.7815 178.3531 12 R 3.9271 7.9999 119.3161 59.2212 29.6448 177.3246 13 G 4.0318 7.8564 102.0506 44.9312 0.0000 174.3148 14 M 4.3642 8.0138 119.9650 56.4916 31.9433 177.5598 15 R 4.1396 7.6889 119.4770 58.8084 30.6567 177.9203 16 R 3.9761 8.3439 116.3045 60.2618 30.0316 178.2028 17 S 3.3726 9.1667 109.8794 60.2607 64.1229 172.9038 18 H 4.7235 8.0059 120.4247 55.7768 29.9103 173.7260 19 D 4.3536 8.3142 129.2098 54.1598 47.0889 177.5440 20 A 3.9146 9.4590 122.7781 52.7526 16.3272 180.8851 21 L 4.6305 8.3441 121.3570 56.9847 46.0684 173.3235 22 T 4.3754 9.3384 122.1806 65.0372 74.5427 176.7682 23 A 3.5631 8.4696 126.7418 51.7746 17.9268 178.5719 24 V 3.7395 8.5841 121.8142 64.4309 31.5504 176.4273 25 T 3.5813 7.2383 109.8779 63.2826 65.9986 171.1525 26 S 4.9608 7.4339 122.3659 57.4458 64.9202 174.5000 27 L 4.0680 8.4875 125.0021 56.5689 41.9946 176.8568 28 S 4.5028 8.4512 111.9115 59.8438 66.2693 177.1998 29 V 3.6925 9.1129 122.8152 62.3415 31.1751 169.1719 30 D 5.0268 8.1908 125.8292 53.1791 40.1363 177.0175 31 K 4.3851 7.7462 118.0350 57.4726 38.3422 175.2392 32 T 4.3283 7.6747 113.0928 60.7253 68.4871 174.4652 33 S 4.3080 8.6339 120.0033 60.3011 62.9857 175.3705 34 G 4.9827 7.3961 114.3242 46.0095 0.0000 173.0294 35 E 3.9145 8.5312 122.8164 55.6849 27.5343 177.7320 36 K 3.5631 9.4812 127.5784 57.5424 31.7252 173.2798 37 H 4.4784 8.0488 122.6247 55.8352 29.0154 175.5577 38 L 4.2744 8.4139 120.2476 57.2536 42.2618 177.8391 39 R 4.2694 7.5232 111.3157 57.2195 33.0369 174.9236 40 H 4.7830 7.8415 116.4616 54.3111 32.0153 173.7553 41 H 4.6426 7.5860 119.6237 55.7761 30.3572 173.0457 42 I 3.7594 6.5145 119.2730 59.6764 38.1113 176.1687 43 T 3.9024 8.2605 118.6354 62.8895 69.0513 174.3990 44 A 4.0292 8.9143 127.0598 52.2864 17.4623 177.9532 45 D 5.1404 8.4089 114.8133 52.2163 42.5629 178.4974 46 G 3.6097 7.3067 112.4023 45.2385 0.0000 174.5674 47 Y 4.6223 6.9236 121.0198 56.0211 39.6936 172.3727 48 Y 4.1461 8.8484 122.6279 58.7031 38.0398 176.5994 49 R 3.6581 6.7787 119.2120 56.5685 31.7899 178.2189 50 G 3.7274 7.5981 109.0850 44.5357 0.0000 173.0116 51 R 2.9985 7.7240 118.2093 57.5333 30.9612 174.6885 52 K 3.9976 8.9327 113.6659 58.1144 34.0885 179.9909 53 V 2.7477 7.0155 122.9077 61.1677 35.6090 173.8683 54 I 4.4820 7.7840 124.6963 58.3509 39.7666 175.2324 55 A 4.8087 8.3686 126.3883 50.3412 21.9639 176.0617 56 K 4.1109 8.6467 119.1984 57.0113 33.2847 174.6068 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 A 8.25 4.38 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 2 V 7.35 4.28 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 0.69 0.00 0.00 0.93 0.00 0.00 3 Q 9.14 4.41 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 Q 8.47 4.43 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 5 N 7.95 5.05 0.00 2.64 2.73 0.00 0.00 6.71 7.61 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 6 K 8.31 4.36 0.00 1.67 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.48 7.81 7 P 0.00 4.31 0.00 2.07 2.05 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 T 8.12 3.96 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 1.21 0.00 0.00 9 R 8.93 3.92 0.00 1.89 2.00 0.00 3.22 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 10 S 7.99 4.07 0.00 3.99 4.04 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 11 K 8.30 4.12 0.00 1.84 1.92 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.43 7.81 12 R 8.00 3.93 0.00 1.86 1.97 0.00 3.44 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 13 G 7.86 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.01 4.36 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 15 R 7.69 4.14 0.00 1.81 1.88 0.00 3.32 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 16 R 8.34 3.98 0.00 1.82 1.95 0.00 3.37 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 17 S 9.17 3.37 0.00 3.91 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.01 4.72 0.00 3.22 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.31 4.35 0.00 2.56 1.88 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 20 A 9.46 3.91 1.07 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 21 L 8.34 4.63 0.00 1.57 1.55 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.34 4.38 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 1.21 0.00 0.00 23 A 8.47 3.56 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.58 3.74 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 0.79 0.00 0.00 0.93 0.00 0.00 25 T 7.24 3.58 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 1.21 0.00 0.00 26 S 7.43 4.96 0.00 3.86 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 4.07 0.00 1.65 1.66 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.45 4.50 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.11 3.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 30 D 8.19 5.03 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.75 4.39 0.00 1.80 1.93 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.37 7.81 32 T 7.67 4.33 4.18 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 1.20 0.00 0.00 33 S 8.63 4.31 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.40 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.53 3.91 0.00 1.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 36 K 9.48 3.56 0.00 1.87 1.82 0.00 2.00 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.43 1.68 7.81 37 H 8.05 4.48 0.00 3.50 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.41 4.27 0.00 1.60 1.69 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.52 4.27 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 40 H 7.84 4.78 0.00 3.21 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.59 4.64 0.00 3.27 3.02 0.00 5.97 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.51 3.76 1.59 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.61 0.00 0.00 43 T 8.26 3.90 4.16 0.00 0.00 0.00 0.00 0.00 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 44 A 8.91 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.41 5.14 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.31 3.61 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 0.00 0.00 0.00 47 Y 6.92 4.62 0.00 3.24 2.93 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 48 Y 8.85 4.15 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.78 3.66 0.00 1.04 1.54 0.00 3.05 0.00 0.00 3.85 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.00 50 G 7.60 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 3.00 0.00 1.35 1.65 0.00 3.27 0.00 0.00 2.98 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 52 K 8.93 4.00 0.00 1.85 1.77 0.00 2.12 0.00 0.00 2.00 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.32 7.81 53 V 7.02 2.75 2.11 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 0.81 0.00 0.00 0.96 0.00 0.00 54 I 7.78 4.48 1.91 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 1.26 0.69 0.99 0.00 0.00 55 A 8.37 4.81 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.65 4.11 0.00 1.84 1.73 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81