NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2028 0.0000 0.0000 62.8151 32.5640 175.3131 3 Y 4.8511 7.8137 116.6228 54.6092 42.0233 173.3409 4 S 4.4756 8.4317 116.7167 58.2663 64.8318 173.8309 5 S 4.5542 8.4098 113.8972 58.5220 63.0581 174.1975 6 D 4.5800 7.4140 119.9695 54.3777 41.1513 176.2178 7 T 4.3156 8.0849 111.3156 61.6389 69.8884 174.1221 8 T 4.6114 7.9935 118.1149 60.8639 71.8929 172.3075 9 P 4.4930 0.0000 0.0000 62.8403 32.1064 176.2588 10 C 5.0313 8.5802 118.3687 55.1973 44.1209 173.6903 11 C 4.9511 7.9846 117.7142 55.3574 42.2963 174.2276 12 F 4.4974 8.4164 118.8227 56.9345 40.4404 174.4677 13 A 4.3911 7.4829 121.6506 51.0775 21.9344 174.7876 14 Y 5.1601 7.9274 116.8722 55.7643 40.2571 176.1944 15 I 3.8579 8.7434 124.8796 61.1150 38.7295 175.9748 16 A 4.2534 8.8337 130.3839 54.4321 18.6046 177.7794 17 R 4.5714 7.4716 112.0819 53.1252 33.2830 173.8783 18 P 2.0000 0.0000 0.0000 61.6960 31.5881 176.7887 19 L 4.0344 7.1714 121.9149 53.6460 42.4580 175.3008 20 P 4.1956 0.0000 0.0000 62.5331 31.9929 177.6726 21 R 3.2551 8.6745 123.1577 59.1691 30.0265 177.9268 22 A 4.1296 7.7559 118.5440 54.2714 18.7094 177.2572 23 H 4.6876 8.3077 112.6704 55.7438 29.2615 174.5297 24 I 4.9279 7.3695 121.3766 59.6890 38.6621 175.6120 25 K 4.4159 9.2511 125.9330 58.8258 32.9781 176.3594 26 E 5.0186 7.7948 115.6076 56.0360 32.6533 173.3574 27 Y 5.5160 8.5142 117.1265 55.6291 41.5581 174.0222 28 F 4.5745 8.3889 113.9242 56.0494 41.9188 172.4002 29 Y 4.9974 8.5925 117.0450 56.5624 39.2756 176.1706 30 T 4.3463 8.5024 113.6699 61.3161 70.0349 174.3352 31 S 4.2144 8.8556 117.2917 58.4637 62.8788 175.6250 32 G 3.7687 8.5637 114.5224 47.8541 0.0000 175.0071 33 K 3.9960 7.7948 119.2261 59.2275 32.2014 177.2690 34 C 4.4979 7.7378 115.9721 56.6852 40.6429 174.1558 35 S 4.1386 8.7262 119.5543 60.9347 62.7805 174.5108 36 N 4.9106 7.6452 116.7095 50.5555 40.0107 173.0283 37 P 4.4739 0.0000 0.0000 63.0184 32.5654 175.2506 38 A 4.5731 7.9638 119.4740 51.2463 23.2031 175.3150 39 V 3.9093 8.0061 120.7324 61.4607 33.5621 174.8778 40 V 4.3759 8.1102 127.6383 60.9885 33.7246 174.0417 41 F 5.2393 8.9738 127.5401 56.3752 40.9829 174.8768 42 V 4.8302 9.0934 124.9264 61.9017 33.1269 175.7990 43 T 5.3817 8.4648 118.8145 59.8508 71.0285 175.8007 44 R 3.8774 8.7767 119.7805 59.5316 29.9563 178.0030 45 K 4.3580 8.0019 113.9008 56.0243 31.9551 176.2090 46 N 4.3446 8.2462 114.6326 54.3332 36.6633 174.6954 47 R 4.1646 7.8834 117.0493 56.5125 31.5362 176.2021 48 Q 4.9988 8.7651 122.2094 54.4931 29.6528 174.1514 49 V 4.3183 8.6836 124.7962 61.3900 33.4221 174.2423 50 C 5.1039 8.8630 125.2708 56.8958 40.1232 172.4494 51 A 5.0789 8.8492 123.3613 50.2017 23.1867 175.0196 52 N 3.1400 8.0502 118.6381 51.8764 39.1372 174.4632 53 P 4.0683 0.0000 0.0000 64.9620 31.5375 176.9615 54 E 4.2771 8.5663 116.0250 56.4653 30.2712 177.1904 55 K 4.0776 7.4179 120.2301 55.5067 33.7858 177.6585 56 K 3.8536 8.5499 124.5177 59.4281 32.1908 179.2023 57 W 4.2479 8.0857 116.4954 59.3843 27.8926 178.3779 58 V 2.8233 6.4263 118.5061 65.5920 30.9719 177.9657 59 R 3.7938 7.6123 117.7736 59.2942 29.7997 178.9063 60 E 4.0330 8.4244 118.5238 59.7560 29.4879 179.1099 61 Y 4.2240 8.4521 117.0235 61.0665 37.8241 178.4832 62 I 3.3198 8.0146 120.9167 64.2441 37.2257 178.0096 63 N 4.3240 8.6185 117.9190 56.5237 38.2981 177.5045 64 S 4.1658 8.3362 115.5772 61.6269 62.7584 176.5711 65 L 4.1000 7.9860 121.5734 57.3450 41.4545 178.9343 66 E 4.2432 8.4018 118.1651 59.2299 29.4810 178.5667 67 M 4.1719 7.8872 117.4995 55.6214 32.2823 176.4908 68 S 4.0759 7.7045 119.5054 59.0224 63.8454 171.9192 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 2 P 0.00 4.20 0.00 2.09 2.01 0.00 3.45 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 3 Y 7.81 4.85 0.00 3.06 2.77 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 4 S 8.43 4.48 0.00 4.01 3.92 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 0.00 0.00 0.00 5 S 8.41 4.55 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.41 4.58 0.00 2.75 2.64 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 7 T 8.08 4.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 T 7.99 4.61 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 9 P 0.00 4.49 0.00 2.32 2.15 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 10 C 8.58 5.03 0.00 2.91 2.60 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 11 C 7.98 4.95 0.00 2.72 2.78 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 12 F 8.42 4.50 0.00 3.01 2.98 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 13 A 7.48 4.39 1.18 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 0.00 0.00 0.00 14 Y 7.93 5.16 0.00 3.01 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 15 I 8.74 3.86 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 1.34 0.00 0.00 16 A 8.83 4.25 1.33 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 0.00 0.00 17 R 7.47 4.57 0.00 1.63 1.61 0.00 3.33 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 18 P 0.00 2.00 0.00 1.34 0.49 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.00 19 L 7.17 4.03 0.00 1.64 1.59 1.09 1.09 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 20 P 0.00 4.20 0.00 1.70 1.74 0.00 3.49 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 21 R 8.67 3.26 0.00 1.15 1.66 0.00 2.52 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 22 A 7.76 4.13 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 23 H 8.31 4.69 0.00 3.33 3.32 0.00 5.61 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 24 I 7.37 4.93 1.78 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 1.13 0.00 0.00 25 K 9.25 4.42 0.00 1.79 1.91 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 26 E 7.79 5.02 0.00 2.02 2.10 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 2.37 2.30 0.00 27 Y 8.51 5.52 0.00 2.63 2.98 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 28 F 8.39 4.57 0.00 2.92 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 29 Y 8.59 5.00 0.00 2.91 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 30 T 8.50 4.35 4.26 0.00 0.00 0.00 0.00 0.00 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 31 S 8.86 4.21 0.00 3.86 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 32 G 8.56 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 0.00 0.00 0.00 33 K 7.79 4.00 0.00 1.56 1.58 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.80 1.10 7.81 34 C 7.74 4.50 0.00 2.99 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 35 S 8.73 4.14 0.00 3.94 3.97 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 36 N 7.65 4.91 0.00 2.62 2.64 0.00 0.00 6.92 8.02 0.00 0.00 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 P 0.00 4.47 0.00 2.21 2.06 0.00 3.86 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 2.08 1.99 0.00 38 A 7.96 4.57 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.01 3.91 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.32 0.00 0.00 40 V 8.11 4.38 0.67 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 0.69 0.00 0.00 0.54 0.00 0.00 41 F 8.97 5.24 0.00 3.12 2.98 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 42 V 9.09 4.83 2.23 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 1.05 0.00 0.00 1.18 0.00 0.00 43 T 8.46 5.38 4.38 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 1.36 0.00 0.00 44 R 8.78 3.88 0.00 1.79 2.04 0.00 3.13 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 45 K 8.00 4.36 0.00 1.76 1.83 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 46 N 8.25 4.34 0.00 2.90 2.96 0.00 0.00 6.91 7.99 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 47 R 7.88 4.16 0.00 1.86 1.90 0.00 3.11 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 48 Q 8.77 5.00 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 49 V 8.68 4.32 2.29 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 1.19 0.00 0.00 1.04 0.00 0.00 50 C 8.86 5.10 0.00 3.12 3.07 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 51 A 8.85 5.08 1.03 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 52 N 8.05 3.14 0.00 1.82 2.24 0.00 0.00 7.00 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 53 P 0.00 4.07 0.00 2.00 2.17 0.00 3.37 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 54 E 8.57 4.28 0.00 1.94 1.90 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 2.22 2.18 0.00 55 K 7.42 4.08 0.00 1.57 1.30 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.34 7.81 56 K 8.55 3.85 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.64 1.50 7.81 57 W 8.09 4.25 0.00 3.21 3.12 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 0.00 0.00 0.00 0.00 58 V 6.43 2.82 1.65 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 0.70 0.00 0.00 -0.76 0.00 0.00 59 R 7.61 3.79 0.00 1.96 1.91 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 60 E 8.42 4.03 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 61 Y 8.45 4.22 0.00 3.10 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 62 I 8.01 3.32 1.76 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.28 0.66 0.00 0.00 63 N 8.62 4.32 0.00 2.92 2.90 0.00 0.00 6.81 7.23 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 64 S 8.34 4.17 0.00 4.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.99 4.10 0.00 1.96 2.02 1.29 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.40 4.24 0.00 2.16 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 0.00 2.67 2.61 0.00 67 M 7.89 4.17 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.01 0.00 68 S 7.70 4.08 0.00 3.97 3.83 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