NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2515 8.2644 123.5837 51.9014 20.7066 177.3094 3 E 3.6111 8.2449 116.5052 56.5718 29.6722 174.3521 4 I 4.3675 9.0991 129.1096 60.3729 38.6397 174.8715 5 K 4.4138 9.0195 127.7239 55.0586 34.6591 175.3826 6 H 4.6748 8.2373 122.1774 54.5299 32.3382 171.9324 7 Y 5.2842 8.4316 123.6075 56.2095 41.1377 174.5997 8 Q 5.0087 8.6822 123.6589 54.3230 32.6104 173.8637 9 F 5.3510 9.2685 124.3604 55.6538 43.3837 173.6465 10 N 5.1123 9.1577 122.5116 53.0729 39.7132 173.8280 11 V 4.7447 8.6288 126.6958 60.9790 34.5190 176.0667 12 V 4.0695 8.8351 128.3614 62.9161 30.5363 173.8938 13 M 4.6008 8.5058 125.9926 53.6608 33.4726 176.2724 14 T 4.2495 8.5820 121.0789 65.0406 69.6967 174.6234 15 C 4.9501 7.4873 114.8592 55.5512 34.4313 174.3102 16 S 4.6542 7.9617 115.2358 59.4095 62.6258 176.3414 17 G 3.5543 7.9399 110.1827 48.0891 0.0000 175.4191 18 C 4.1409 8.0038 119.2137 62.5733 28.1541 176.2496 19 S 4.2422 7.9603 115.6520 61.4706 62.5592 176.6978 20 G 3.5857 8.3128 109.1327 47.3362 0.0000 175.5587 21 A 3.9986 8.3878 123.4744 54.9778 18.2761 179.8960 22 V 3.4823 7.7822 116.8275 66.0323 31.6045 177.7365 23 N 4.3082 8.4225 117.0416 56.6278 38.8229 176.9353 24 K 3.9607 8.0978 119.7834 59.6912 31.9554 179.7036 25 V 3.6290 7.3662 110.8776 64.2914 31.1966 178.1372 26 L 4.2823 7.7820 118.4555 56.8321 41.5713 178.9139 27 T 4.1778 8.0732 109.5674 63.7245 68.8342 176.4020 28 K 4.2977 7.7775 119.2953 57.6504 32.2841 177.1016 29 L 4.7286 7.3003 118.0255 54.1997 42.5433 176.2652 30 E 4.5773 7.8151 119.5692 56.0668 29.7589 175.1408 31 P 4.7109 0.0000 0.0000 62.7005 32.5521 176.1104 32 D 4.4090 8.2008 120.4477 57.4151 40.8751 176.4863 33 V 4.3808 7.7166 119.2791 62.1607 31.5541 175.4701 34 S 4.5391 9.1055 125.0395 60.5643 63.7983 174.8583 35 K 4.7025 7.8870 118.8633 54.9958 35.8291 175.0990 36 I 5.2116 8.3263 125.5658 59.8923 40.9298 174.1916 37 D 4.9961 9.5522 126.9917 52.5293 44.1022 174.8015 38 I 4.8792 8.5730 123.9356 59.4343 40.1621 175.0379 39 S 4.5117 9.1932 121.7275 56.4886 64.1755 174.3280 40 L 3.8870 8.8019 129.7880 58.4295 42.1174 178.3948 41 E 3.8902 8.2896 116.0399 59.9368 29.3557 178.6905 42 K 4.1709 8.0343 115.2984 56.6401 32.5524 177.2093 43 Q 3.6530 8.1121 117.7337 57.1321 26.8206 172.6688 44 L 5.3779 7.8810 116.1434 52.9519 45.7336 176.1272 45 V 4.8650 9.0471 121.8053 61.3727 34.6756 173.7217 46 D 5.5094 9.7130 128.2827 52.5642 43.5808 175.3601 47 V 4.9383 9.0578 123.5676 61.3026 34.8963 173.5597 48 Y 4.9624 8.9374 125.6012 56.8579 40.1591 174.7372 49 T 5.4187 9.0141 118.0239 62.6847 71.2201 173.4954 50 T 4.8079 8.5408 113.2447 62.0197 70.2476 175.2598 51 L 4.1940 7.8973 122.1096 54.2271 42.3576 175.5971 52 P 4.7738 0.0000 0.0000 62.0774 33.6410 176.6698 53 Y 3.0851 8.6053 120.8459 61.1351 38.6877 178.7775 54 D 4.2962 8.2122 119.1488 56.0171 39.5578 178.1100 55 F 4.0767 8.1636 122.1020 61.1934 39.4930 176.9733 56 I 3.4978 7.5639 119.5164 64.2092 36.8964 177.8858 57 L 3.2982 7.4267 121.0661 58.2409 41.6561 179.0517 58 E 3.7884 7.8209 118.1223 59.1110 29.1495 179.2408 59 K 3.6383 7.2230 117.3948 59.6657 32.5019 179.0680 60 I 3.6785 7.3377 119.7369 64.1542 36.9291 178.6521 61 K 3.8689 7.9921 119.4383 59.3785 31.6793 179.4017 62 K 4.1799 7.9770 117.9091 59.2725 31.9721 178.8963 63 T 4.0107 7.4289 109.0032 62.9106 68.8760 175.6924 64 G 3.9357 8.4380 110.1779 45.0113 0.0000 173.8154 65 K 4.1588 7.6391 119.5990 55.6619 32.8880 176.3950 66 E 4.0103 8.6484 124.4750 56.3246 30.9458 175.5973 67 V 4.4544 8.2351 127.2049 61.5792 31.3769 175.3318 68 R 4.3130 8.5824 128.5421 59.1699 30.6479 177.5025 69 S 4.7589 7.9773 110.8382 57.4452 66.1701 173.9844 70 G 5.2814 8.8472 107.5228 44.4318 0.0000 171.7963 71 K 4.5646 8.8862 121.4977 55.1454 36.6682 174.4784 72 Q 4.9213 8.2784 122.4042 54.9755 30.4240 175.3013 73 L 4.3506 8.4153 125.4126 54.8141 41.5967 176.3167 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 A 8.26 4.25 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 3 E 8.24 3.61 0.00 2.03 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 2.30 2.40 0.00 4 I 9.10 4.37 1.89 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 1.37 0.71 0.98 0.00 0.00 5 K 9.02 4.41 0.00 1.48 1.21 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.35 7.81 6 H 8.24 4.67 0.00 2.77 2.88 0.00 5.64 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 7 Y 8.43 5.28 0.00 2.89 2.33 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 8 Q 8.68 5.01 0.00 2.08 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 9 F 9.27 5.35 0.00 2.94 2.84 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 0.00 0.00 0.00 0.00 10 N 9.16 5.11 0.00 2.91 2.76 0.00 0.00 6.36 7.33 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 11 V 8.63 4.74 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 0.85 0.00 0.00 0.94 0.00 0.00 12 V 8.84 4.07 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 1.02 0.00 0.00 13 M 8.51 4.60 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 14 T 8.58 4.25 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 15 C 7.49 4.95 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.65 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 4.14 0.00 3.11 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 19 S 7.96 4.24 0.00 4.03 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 20 G 8.31 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.39 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.48 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 0.94 0.00 0.00 0.93 0.00 0.00 23 N 8.42 4.31 0.00 2.95 2.94 0.00 0.00 7.24 7.42 0.00 0.00 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 K 8.10 3.96 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 25 V 7.37 3.63 1.99 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 0.68 0.00 0.00 0.89 0.00 0.00 26 L 7.78 4.28 0.00 1.79 1.74 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.07 4.18 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 1.28 0.00 0.00 28 K 7.78 4.30 0.00 1.94 1.92 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.48 7.81 29 L 7.30 4.73 0.00 1.90 1.77 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.82 4.58 0.00 2.10 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 2.37 2.50 0.00 31 P 0.00 4.71 0.00 2.18 2.16 0.00 3.81 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 1.94 1.98 0.00 32 D 8.20 4.41 0.00 2.99 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 33 V 7.72 4.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.05 0.00 0.00 34 S 9.11 4.54 0.00 3.76 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 35 K 7.89 4.70 0.00 1.59 1.35 0.00 1.23 0.00 0.00 0.74 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.32 7.81 36 I 8.33 5.21 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 1.03 0.00 0.00 37 D 9.55 5.00 0.00 2.66 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 38 I 8.57 4.88 1.90 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 1.28 0.65 0.94 0.00 0.00 39 S 9.19 4.51 0.00 3.84 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 40 L 8.80 3.89 0.00 1.73 1.65 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.29 3.89 0.00 1.99 2.04 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 2.34 2.44 0.00 42 K 8.03 4.17 0.00 1.80 1.87 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.42 7.81 43 Q 8.11 3.65 0.00 2.36 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 44 L 7.88 5.38 0.00 1.63 1.57 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.05 4.86 2.25 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 1.18 0.00 0.00 0.98 0.00 0.00 46 D 9.71 5.51 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.06 4.94 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.19 0.00 0.00 48 Y 8.94 4.96 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.01 5.42 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 50 T 8.54 4.81 4.27 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 1.29 0.00 0.00 51 L 7.90 4.19 0.00 1.91 1.82 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.77 0.00 2.25 2.04 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 53 Y 8.61 3.09 0.00 2.64 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 54 D 8.21 4.30 0.00 3.03 3.03 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 55 F 8.16 4.08 0.00 3.14 3.28 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 56 I 7.56 3.50 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.99 0.97 0.00 0.00 57 L 7.43 3.30 0.00 1.28 1.56 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.82 3.79 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.56 0.00 59 K 7.22 3.64 0.00 1.58 1.65 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.44 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.07 7.81 60 I 7.34 3.68 1.44 0.00 0.00 0.15 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 0.90 0.70 0.00 0.00 61 K 7.99 3.87 0.00 1.83 1.77 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.45 7.81 62 K 7.98 4.18 0.00 1.76 1.81 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.38 7.81 63 T 7.43 4.01 4.19 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 0.00 0.00 0.00 1.21 0.00 0.00 64 G 8.44 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 0.00 0.00 0.00 65 K 7.64 4.16 0.00 1.72 1.89 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 E 8.65 4.01 0.00 2.04 1.81 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 2.38 2.30 0.00 67 V 8.24 4.45 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 0.99 0.00 0.00 0.80 0.00 0.00 68 R 8.58 4.31 0.00 1.81 2.00 0.00 3.27 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 69 S 7.98 4.76 0.00 3.88 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 70 G 8.85 5.28 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 0.00 71 K 8.89 4.56 0.00 1.63 1.75 0.00 1.24 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.27 7.81 72 Q 8.28 4.92 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.66 0.00 73 L 8.42 4.35 0.00 1.40 1.45 0.49 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00