NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9601 8.3393 109.7369 45.8166 0.0000 172.8251 2 S 4.3008 7.9115 115.0575 55.8738 65.2462 173.2784 3 S 4.3081 7.7060 111.5140 59.4005 64.3193 176.1986 4 G 4.5097 7.8791 124.4534 45.3215 0.0000 170.9105 5 S 4.1302 7.7989 119.3855 57.2139 63.5612 173.5535 6 S 3.7619 8.6921 123.8247 56.7240 62.2502 171.5609 7 G 3.6714 8.3860 110.6723 45.6827 0.0000 173.5598 8 A 4.2296 8.2013 128.6187 52.7820 19.6493 176.7957 9 S 4.3845 8.1881 110.9770 58.8273 69.2520 174.3217 10 N 4.0116 8.3993 123.1899 53.5499 34.8386 173.8459 11 S 4.5869 7.8808 118.2441 55.8869 64.6072 174.0464 12 Q 3.8769 8.3443 127.8869 58.7798 29.0348 177.2451 13 L 3.9496 8.0034 119.5872 58.0252 41.7134 178.8133 14 N 4.3827 8.3401 115.6159 56.6243 38.4280 176.6412 15 A 4.0299 7.6429 121.2007 55.6166 18.4442 179.1907 16 M 3.8338 7.9271 116.4980 58.8653 32.0322 178.5715 17 A 3.6666 8.1543 120.5189 55.6068 18.2944 178.6392 18 H 4.2650 8.1882 115.6204 59.8709 29.6066 176.9267 19 Q 4.4849 8.2931 120.9709 58.6101 28.2731 179.8933 20 I 3.8176 7.8788 120.3095 64.5643 37.1619 178.0981 21 Q 4.5954 8.5474 122.7838 59.3251 28.8757 178.7227 22 E 3.9323 8.5147 119.4794 60.2722 29.3386 179.4832 23 M 4.1419 7.8203 116.8302 56.8798 33.5302 176.9190 24 F 4.7487 9.3505 118.6406 54.8211 39.8378 173.2757 25 P 4.6370 0.0000 0.0000 64.5225 32.1336 178.6560 26 Q 4.1733 8.4613 116.7229 58.9660 28.2175 178.1966 27 V 3.8105 7.6499 118.0233 59.9312 32.1029 174.0446 28 P 4.5278 0.0000 0.0000 62.4264 32.6719 176.6141 29 Y 3.8132 8.4374 118.1182 60.6894 38.8187 176.2913 30 H 4.1793 8.1538 115.7380 59.1863 28.1922 176.6096 31 L 3.9251 7.7565 121.6126 57.2730 41.5028 179.0617 32 V 3.3834 7.3998 117.3215 66.7733 31.3746 177.5706 33 L 3.8374 8.8164 117.7380 58.8248 41.4991 179.1524 34 Q 3.7062 8.5079 117.1908 59.9662 28.5575 178.7286 35 D 4.3451 8.7548 118.4499 57.7379 41.3361 179.2376 36 L 4.0653 8.3915 120.7880 57.2750 41.4973 179.3268 37 Q 4.1985 8.3669 116.0903 57.7660 28.5840 177.3907 38 L 4.4646 7.1543 119.2508 56.8017 43.1689 178.3961 39 T 3.9164 9.0083 110.4075 63.4119 68.8732 175.4604 40 R 3.6642 8.4086 118.5797 56.6268 28.2066 177.7304 41 S 4.4071 7.6027 108.7143 56.9544 67.1519 176.4384 42 V 3.6696 8.1650 122.3233 64.9143 31.1861 177.9926 43 E 3.9410 8.0951 117.8984 59.3923 29.2383 179.1123 44 I 3.7482 7.5490 119.8491 64.2675 37.3783 178.5317 45 T 4.2256 8.4852 119.0307 66.3421 68.1054 176.9442 46 T 3.5403 7.8928 111.8131 64.5240 68.9266 176.0890 47 D 4.0304 8.3471 122.1155 57.3127 40.6975 178.6092 48 N 4.5078 7.8724 116.8392 55.6149 38.6084 177.4536 49 I 3.7927 7.3752 120.6957 64.1610 37.4038 177.8151 50 L 4.0205 8.5791 119.5618 58.3369 41.6310 179.2712 51 E 4.4400 7.7494 115.5216 55.9312 30.4090 175.2063 52 G 3.7829 8.4288 108.3310 46.0295 0.0000 171.9859 53 R 4.3294 8.8985 121.5994 57.7228 32.4994 177.3729 54 I 3.8037 7.6909 123.2825 61.4633 35.6105 175.1059 55 Q 4.4714 8.3802 124.2159 54.0711 29.3893 176.1517 56 V 4.2706 8.0559 123.3545 59.9711 31.8824 172.7505 57 P 4.4966 0.0000 0.0000 61.8124 29.9103 177.0097 58 F 4.5212 8.3305 120.0701 57.3192 38.0673 176.3533 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 G 8.34 3.96 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 0.00 0.00 0.00 2 S 7.91 4.30 0.00 4.02 3.80 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 3 S 7.71 4.31 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.88 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.80 4.13 0.00 3.77 3.74 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 6 S 8.69 3.76 0.00 4.04 3.86 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 7 G 8.39 3.67 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 0.00 0.00 0.00 8 A 8.20 4.23 1.28 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 0.00 0.00 0.00 9 S 8.19 4.38 0.00 3.90 3.80 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 10 N 8.40 4.01 0.00 2.89 2.85 0.00 0.00 6.68 7.57 0.00 0.00 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 S 7.88 4.59 0.00 3.83 3.94 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 12 Q 8.34 3.88 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 13 L 8.00 3.95 0.00 1.75 1.73 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.34 4.38 0.00 3.10 3.01 0.00 0.00 6.95 7.77 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 15 A 7.64 4.03 1.45 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 16 M 7.93 3.83 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 17 A 8.15 3.67 0.64 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 0.00 0.00 18 H 8.19 4.27 0.00 3.50 3.65 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.29 4.48 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 20 I 7.88 3.82 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.65 0.00 0.00 21 Q 8.55 4.60 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 22 E 8.51 3.93 0.00 2.23 1.95 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 2.33 2.37 0.00 23 M 7.82 4.14 0.00 1.51 2.40 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 24 F 9.35 4.75 0.00 2.78 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.64 0.00 2.22 2.24 0.00 3.41 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 26 Q 8.46 4.17 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.06 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 27 V 7.65 3.81 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 0.79 0.00 0.00 0.90 0.00 0.00 28 P 0.00 4.53 0.00 1.56 2.01 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 29 Y 8.44 3.81 0.00 3.01 2.88 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 30 H 8.15 4.18 0.00 3.37 3.59 0.00 5.52 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.76 3.93 0.00 1.64 1.73 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.40 3.38 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 0.72 0.00 0.00 0.80 0.00 0.00 33 L 8.82 3.84 0.00 2.04 1.75 1.13 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.51 3.71 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 35 D 8.75 4.35 0.00 2.88 2.75 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 36 L 8.39 4.07 0.00 1.93 1.66 0.88 1.03 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 37 Q 8.37 4.20 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 38 L 7.15 4.46 0.00 1.59 1.66 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.01 3.92 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 40 R 8.41 3.66 0.00 1.92 2.05 0.00 3.35 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 41 S 7.60 4.41 0.00 3.86 3.71 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 0.00 0.00 0.00 0.00 42 V 8.17 3.67 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 0.79 0.00 0.00 0.90 0.00 0.00 43 E 8.10 3.94 0.00 1.98 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 0.00 2.39 2.38 0.00 44 I 7.55 3.75 1.83 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 0.44 0.88 0.00 0.00 45 T 8.49 4.23 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 46 T 7.89 3.54 3.68 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 0.31 0.00 0.00 47 D 8.35 4.03 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.51 0.00 2.68 2.82 0.00 0.00 6.81 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.38 3.79 1.82 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.55 1.02 0.00 0.00 50 L 8.58 4.02 0.00 1.61 1.83 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.75 4.44 0.00 2.30 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 2.32 0.00 52 G 8.43 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.90 4.33 0.00 1.89 1.90 0.00 3.33 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 54 I 7.69 3.80 1.86 0.00 0.00 0.82 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 0.45 0.92 0.00 0.00 55 Q 8.38 4.47 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 56 V 8.06 4.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 57 P 0.00 4.50 0.00 2.21 2.07 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 58 F 8.33 4.52 0.00 3.13 3.06 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 0.00 0.00 0.00