NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.6717 8.2876 120.3932 55.6698 31.0392 173.1504 6 S 4.0022 9.0405 114.8444 59.9901 62.4162 173.5461 7 L 4.4812 7.9052 122.5222 56.6434 43.6567 178.7140 8 Q 3.9322 8.0175 118.8646 59.5068 28.9326 177.9452 9 D 4.4750 7.8347 119.2274 57.1939 40.9915 176.9660 10 P 4.3948 0.0000 0.0000 65.7655 31.3263 178.1185 11 Y 3.9969 8.0949 118.2070 60.8296 38.8158 178.1174 12 L 3.7409 8.2447 120.3545 57.6473 41.4997 179.0699 13 N 4.5932 8.7745 117.3782 56.8303 38.8240 177.2478 14 T 3.8391 7.9523 117.3578 66.5968 68.6034 176.7165 15 L 3.8476 7.5886 120.8741 57.6771 41.5289 179.5468 16 R 4.0693 7.9126 119.9904 58.8729 29.9233 178.5529 17 K 3.9009 8.0451 117.3738 59.7121 32.1448 178.2008 18 E 4.1644 8.2435 114.7795 56.2759 29.6063 176.6364 19 R 3.7480 7.6439 117.1060 56.9056 28.3604 176.5867 20 V 3.8063 7.5367 117.2562 62.0274 32.2653 174.1286 21 P 4.6014 0.0000 0.0000 62.9887 32.6160 175.7521 22 V 4.9655 8.9551 116.4445 59.6814 36.6200 174.5078 23 S 5.0255 9.1426 118.4393 56.9222 65.7147 173.2667 24 I 4.8311 8.8083 126.4301 59.8560 39.3526 174.1901 25 Y 4.8837 9.0735 125.9861 56.6151 39.6696 175.7030 26 L 4.8400 9.0272 124.5838 53.7511 43.2112 178.5415 27 V 4.1623 8.9840 114.5013 63.7775 31.5378 177.4084 28 N 4.5485 8.0756 114.7718 53.0537 37.7175 175.7090 29 G 4.1188 8.2864 108.1062 45.2877 0.0000 174.3244 30 I 3.9698 8.6078 121.6257 61.1903 38.4363 174.8767 31 K 4.5757 8.5157 126.6604 54.6193 33.8722 175.0547 32 L 4.7899 8.9023 127.5344 53.2409 44.4215 175.5627 33 Q 4.8503 8.9967 119.6648 53.5719 32.5338 176.5212 34 G 4.0015 7.2154 107.9431 46.3881 0.0000 170.9162 35 Q 4.8465 7.6181 118.7869 53.8523 33.0106 175.2612 36 I 4.2560 8.2804 123.7865 61.6182 37.4954 176.1900 37 E 4.2854 9.2290 130.3284 58.5687 30.5154 176.0642 38 S 4.8545 7.8323 111.8065 58.5711 65.7332 175.1560 39 F 5.1634 8.0061 113.5744 56.3154 39.0154 173.1645 40 D 4.5996 8.7067 120.2557 52.3157 41.5899 175.4927 41 Q 3.9750 8.7920 118.1118 58.8272 29.1946 177.9234 42 F 5.0289 7.9691 112.0488 57.3090 41.2751 174.9806 43 V 5.0691 8.8129 113.0737 59.5882 36.5780 174.4285 44 I 5.0020 8.6661 121.9776 59.6876 41.1130 174.7178 45 L 4.9200 9.2835 127.0733 53.3760 43.3350 175.1917 46 L 4.9340 8.8528 127.7314 53.3011 44.0370 175.0416 47 K 4.7062 9.2522 128.9003 53.8366 33.7854 173.9344 48 N 4.5124 8.1810 127.8955 52.7407 42.4757 175.8437 49 T 3.9206 8.9705 112.2814 65.9995 67.8697 173.6993 50 V 4.4756 7.5042 119.3688 60.7787 35.0469 174.3006 51 S 4.9616 8.4792 121.1707 58.1498 64.0318 173.1252 52 Q 4.8197 9.0503 123.1301 54.5640 31.6032 174.1368 53 M 4.7105 8.4980 121.0471 54.4374 33.4465 174.9958 54 V 4.3808 8.6975 127.1346 61.2011 34.1024 174.4484 55 Y 4.4532 8.5569 125.8595 57.3335 38.6778 176.7513 56 K 4.0359 9.2029 125.3313 59.7024 32.3762 178.9710 57 H 4.2059 8.3909 112.7874 57.7471 28.5905 175.6217 58 A 4.5607 8.1391 122.1860 52.0596 19.3593 176.2697 59 I 4.7169 7.7320 117.9244 60.4618 38.7222 175.5371 60 S 4.6130 9.3445 121.6678 60.4296 63.8792 173.9277 61 T 4.9927 7.7588 112.5241 60.4314 71.3948 171.9249 62 V 4.7933 8.4719 125.1558 61.2393 33.9789 174.8044 63 V 4.4338 9.1151 129.3666 60.4744 33.1982 173.2305 64 P 4.8427 0.0000 0.0000 62.5572 31.5525 177.1874 65 S 4.5297 9.0620 118.1314 60.3349 63.5495 174.2565 66 R 4.6590 7.6931 115.1245 53.7827 31.9467 172.8221 67 P 4.2787 0.0000 0.0000 63.4355 31.7554 176.2568 68 V 4.3721 7.7269 114.3703 59.9882 35.3953 175.6588 69 R 4.1561 8.5128 120.1857 57.0582 30.8513 175.8783 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 5 H 8.29 4.67 0.00 3.18 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.04 4.00 0.00 4.19 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 7 L 7.91 4.48 0.00 1.74 1.62 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.02 3.93 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 9 D 7.83 4.47 0.00 2.81 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 10 P 0.00 4.39 0.00 2.22 2.16 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 11 Y 8.09 4.00 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 12 L 8.24 3.74 0.00 0.73 0.52 0.43 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.77 4.59 0.00 3.18 2.91 0.00 0.00 7.22 7.13 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 14 T 7.95 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 15 L 7.59 3.85 0.00 1.69 1.58 0.63 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.91 4.07 0.00 2.11 2.19 0.00 3.36 0.00 0.00 3.49 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 17 K 8.05 3.90 0.00 1.78 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.66 7.81 18 E 8.24 4.16 0.00 1.99 1.96 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 2.44 2.39 0.00 19 R 7.64 3.75 0.00 1.93 2.21 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 20 V 7.54 3.81 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.60 0.00 2.10 1.94 0.00 3.57 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 8.96 4.97 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 0.93 0.00 0.00 0.98 0.00 0.00 23 S 9.14 5.03 0.00 3.89 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.81 4.83 1.82 0.00 0.00 0.85 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 0.81 0.92 0.00 0.00 25 Y 9.07 4.88 0.00 2.96 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 26 L 9.03 4.84 0.00 1.77 1.70 0.94 0.84 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 27 V 8.98 4.16 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 0.74 0.00 0.00 1.00 0.00 0.00 28 N 8.08 4.55 0.00 2.83 2.95 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.29 4.12 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 0.00 0.00 0.00 30 I 8.61 3.97 1.98 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 1.13 0.65 0.90 0.00 0.00 31 K 8.52 4.58 0.00 1.47 1.51 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.53 0.21 7.81 32 L 8.90 4.79 0.00 1.50 1.48 0.91 0.76 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 33 Q 9.00 4.85 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.05 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 34 G 7.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.62 4.85 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.28 4.26 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.11 0.98 0.00 0.00 37 E 9.23 4.29 0.00 1.94 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 0.00 2.30 2.30 0.00 38 S 7.83 4.85 0.00 3.81 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 5.16 0.00 3.27 2.99 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 40 D 8.71 4.60 0.00 2.81 2.73 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 41 Q 8.79 3.97 0.00 1.76 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 1.23 2.02 0.00 42 F 7.97 5.03 0.00 3.18 3.16 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 0.00 43 V 8.81 5.07 1.93 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 0.28 0.00 0.00 0.94 0.00 0.00 44 I 8.67 5.00 1.88 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 1.27 0.69 0.93 0.00 0.00 45 L 9.28 4.92 0.00 1.66 1.60 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.85 4.93 0.00 1.73 1.51 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.25 4.71 0.00 1.84 1.64 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.21 7.81 48 N 8.18 4.51 0.00 2.97 2.18 0.00 0.00 6.97 7.59 0.00 0.00 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 T 8.97 3.92 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 50 V 7.50 4.48 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 1.04 0.00 0.00 0.93 0.00 0.00 51 S 8.48 4.96 0.00 3.82 3.76 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 52 Q 9.05 4.82 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 53 M 8.50 4.71 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 54 V 8.70 4.38 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 1.03 0.00 0.00 0.92 0.00 0.00 55 Y 8.56 4.45 0.00 2.91 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 9.20 4.04 0.00 1.92 1.94 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.45 7.81 57 H 8.39 4.21 0.00 3.28 3.57 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.14 4.56 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.73 4.72 2.03 0.00 0.00 0.89 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 0.85 0.98 0.00 0.00 60 S 9.34 4.61 0.00 3.92 3.91 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 61 T 7.76 4.99 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 1.23 0.00 0.00 62 V 8.47 4.79 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 0.93 0.00 0.00 0.98 0.00 0.00 63 V 9.12 4.43 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 1.04 0.00 0.00 1.07 0.00 0.00 64 P 0.00 4.84 0.00 2.07 1.91 0.00 3.83 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 65 S 9.06 4.53 0.00 3.85 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 66 R 7.69 4.66 0.00 1.88 1.88 0.00 3.05 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 67 P 0.00 4.28 0.00 2.06 2.06 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 68 V 7.73 4.37 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 0.64 0.00 0.00 0.77 0.00 0.00 69 R 8.51 4.16 0.00 1.93 1.93 0.00 3.33 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00