NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6529 8.3049 118.3348 55.1335 33.3266 173.8168 2 K 4.4673 8.0444 115.1797 54.4664 35.9909 170.9464 3 V 4.8841 9.0454 123.2579 63.1873 33.7753 176.0004 4 R 4.0831 9.1664 124.5849 56.7818 28.1224 175.6331 5 A 4.1350 8.2560 120.0976 54.7883 19.1202 177.4914 6 S 4.3396 8.0106 110.1264 58.7771 61.9946 172.6400 7 V 4.0246 7.8099 126.5139 59.1336 33.7891 178.0484 8 K 3.4676 7.6525 120.1959 56.3683 33.3981 173.9035 9 K 4.5148 8.1673 116.0674 55.7393 33.9778 176.3591 10 L 4.5536 8.2010 118.9080 55.0133 43.3409 175.6738 11 C 4.7104 7.4479 112.3544 56.8458 32.0331 174.7318 12 R 4.0647 8.5245 115.9997 58.1010 29.0986 176.5268 13 N 4.7667 8.0642 117.2545 53.6651 39.0008 173.7816 14 C 4.7684 7.5227 114.2368 57.9507 30.0475 172.2632 15 K 4.2085 7.8513 118.1182 57.3180 33.7303 172.5169 16 I 3.5079 8.0144 126.6700 60.9427 36.9251 173.6975 17 V 4.3189 8.4854 117.1070 59.7134 35.8691 173.2359 18 K 4.0913 8.6984 125.2618 57.0257 32.3144 177.4140 19 R 4.5101 8.0608 129.6933 53.4921 29.8514 173.5089 20 D 4.9516 8.4392 120.3128 53.6156 37.2496 176.8054 21 G 4.0690 8.4810 113.8020 45.7985 0.0000 173.2177 22 V 3.8335 7.6857 113.0371 60.0493 30.8218 175.7398 23 I 3.8036 8.2246 126.5018 62.0714 37.0606 176.1013 24 R 4.7577 8.4554 126.8008 54.6003 33.0425 175.6922 25 V 4.7605 8.6367 120.4696 61.2533 34.3485 174.1513 26 I 4.5735 8.4017 127.8754 59.6013 39.8529 173.7807 27 C 5.1694 8.7484 127.0140 57.7530 33.2788 173.6292 28 S 4.4588 8.4249 118.0866 58.7038 63.2758 175.0233 29 A 4.1744 6.9968 124.6981 53.2538 18.9513 176.7801 30 E 4.7410 7.3793 114.7443 53.7038 32.3796 175.1056 31 P 4.4394 0.0000 0.0000 64.9845 32.0620 179.0697 32 K 3.9796 8.2338 117.2014 59.8930 31.9480 178.0349 33 H 4.2873 8.2291 113.4858 57.7511 28.5855 175.6584 34 K 4.4666 7.7619 123.0546 56.6054 33.0088 175.6838 35 Q 4.8850 8.6591 124.0252 55.1448 32.6024 173.1085 36 R 4.9081 9.2764 121.5537 54.9482 34.2770 171.6174 37 Q 3.6791 9.3991 127.4237 55.7303 29.8164 173.3343 38 G 4.0358 8.8303 109.4811 46.2874 0.0000 173.8025 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 4.65 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 8.04 4.47 0.00 1.64 1.68 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.34 1.63 7.81 3 V 9.05 4.88 2.28 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 1.07 0.00 0.00 0.93 0.00 0.00 4 R 9.17 4.08 0.00 1.86 2.31 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 5 A 8.26 4.13 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 6 S 8.01 4.34 0.00 3.84 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 7 V 7.81 4.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 8 K 7.65 3.47 0.00 1.97 1.90 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.39 7.81 9 K 8.17 4.51 0.00 2.02 1.84 0.00 1.42 0.00 0.00 1.70 0.00 0.00 3.32 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.50 7.81 10 L 8.20 4.55 0.00 1.31 1.55 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.45 4.71 0.00 3.10 3.10 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 12 R 8.52 4.06 0.00 1.94 2.11 0.00 3.02 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 13 N 8.06 4.77 0.00 2.77 2.78 0.00 0.00 7.12 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 14 C 7.52 4.77 0.00 2.96 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 15 K 7.85 4.21 0.00 1.65 1.90 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 I 8.01 3.51 1.87 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 1.42 0.54 0.91 0.00 0.00 17 V 8.49 4.32 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 0.63 0.00 0.00 0.93 0.00 0.00 18 K 8.70 4.09 0.00 1.71 1.75 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.43 7.81 19 R 8.06 4.51 0.00 1.78 1.81 0.00 3.26 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 20 D 8.44 4.95 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.48 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 22 V 7.69 3.83 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 0.75 0.00 0.00 0.93 0.00 0.00 23 I 8.22 3.80 1.87 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 1.34 0.47 0.91 0.00 0.00 24 R 8.46 4.76 0.00 1.72 1.83 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.88 0.00 25 V 8.64 4.76 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 0.99 0.00 0.00 0.98 0.00 0.00 26 I 8.40 4.57 1.87 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 1.23 1.05 0.91 0.00 0.00 27 C 8.75 5.17 0.00 2.97 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 28 S 8.42 4.46 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.00 4.17 1.24 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 0.00 0.00 0.00 30 E 7.38 4.74 0.00 1.67 1.79 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 2.15 2.17 0.00 31 P 0.00 4.44 0.00 2.18 2.09 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 32 K 8.23 3.98 0.00 1.83 1.93 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 33 H 8.23 4.29 0.00 3.11 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.76 4.47 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.58 7.81 35 Q 8.66 4.89 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.37 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 36 R 9.28 4.91 0.00 1.77 1.77 0.00 3.22 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 37 Q 9.40 3.68 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 38 G 8.83 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 0.00 0.00 0.00