NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7473 7.9876 118.8825 56.2577 39.1665 175.6792 2 P 3.8972 0.0000 0.0000 62.9780 31.8774 175.8353 3 A 4.0350 7.9766 120.3358 52.4865 17.6683 177.8156 4 K 3.8337 7.0517 117.8897 54.1627 34.6049 174.2113 5 P 4.3472 0.0000 0.0000 62.3183 31.7417 176.1741 6 E 4.0734 8.7405 122.6824 55.7459 30.0977 176.6775 7 A 4.1087 8.5584 125.1229 52.0496 18.8454 175.9848 8 P 4.3393 0.0000 0.0000 61.5362 33.8474 176.8007 9 G 3.9814 9.0182 107.5628 43.1182 0.0000 173.8625 10 E 3.9294 9.3739 118.7000 57.3353 26.9272 173.7704 11 D 4.3725 8.2560 111.3554 55.2379 38.3439 174.5674 12 A 4.0963 7.7217 121.5925 51.7372 19.2172 179.3500 13 S 4.3655 8.3534 117.1068 57.6328 65.4335 174.0021 14 P 4.3240 0.0000 0.0000 65.9188 31.1166 178.4769 15 E 3.9317 8.1045 118.6212 59.1103 29.6369 178.4246 16 E 4.0065 8.1715 118.0710 59.3415 29.4932 178.7991 17 L 3.8985 8.2548 119.5028 58.2824 41.7994 179.6478 18 S 4.2964 8.0533 114.1417 61.8991 62.6225 176.9482 19 R 3.9369 7.8048 120.2079 59.5892 29.7082 178.4855 20 Y 3.8771 8.1983 117.9957 60.9328 38.9630 177.3459 21 Y 4.4964 8.5067 117.6903 61.2600 38.0273 178.4566 22 A 4.0682 8.1181 121.4478 55.5967 18.4445 179.8761 23 S 4.0858 7.8132 113.2948 61.4000 62.7675 176.4230 24 L 3.9279 7.6584 122.9738 58.4792 41.8373 179.1406 25 R 3.9604 8.0444 117.8912 59.4497 29.8165 177.6332 26 H 4.0731 8.0021 117.4464 59.5127 30.1705 176.2059 27 Y 4.0991 8.1693 121.0154 60.7086 38.7123 177.5794 28 L 3.8405 8.0556 121.2267 58.4101 41.9017 178.4012 29 N 4.2420 8.3072 116.8272 56.5860 38.5485 176.4940 30 L 3.9280 7.5274 120.7857 57.2231 42.1814 177.4553 31 V 3.8981 7.1432 116.4986 63.3093 31.7888 176.0687 32 T 4.5791 7.4627 112.5731 60.7101 67.3450 173.6880 33 R 4.7556 7.5083 122.1521 54.0763 29.7925 176.4158 34 Q 3.9196 7.7487 116.7685 56.7209 29.7008 178.4377 35 R 4.0903 8.0105 119.4248 56.3935 28.7265 176.6106 36 Y 4.2974 8.2313 119.2886 58.0429 38.0176 175.9088 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 Y 7.99 4.75 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.90 0.00 2.34 2.37 0.00 3.97 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 3 A 7.98 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.05 3.83 0.00 1.40 1.53 0.00 1.90 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.30 7.81 5 P 0.00 4.35 0.00 2.00 1.92 0.00 3.61 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 6 E 8.74 4.07 0.00 2.01 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 2.32 0.00 7 A 8.56 4.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 1.78 1.29 0.00 3.42 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 1.37 1.25 0.00 9 G 9.02 3.98 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 0.00 0.00 0.00 10 E 9.37 3.93 0.00 1.99 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 2.17 2.19 0.00 11 D 8.26 4.37 0.00 2.80 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 12 A 7.72 4.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.37 0.00 4.05 3.99 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 14 P 0.00 4.32 0.00 2.31 2.36 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 15 E 8.10 3.93 0.00 2.11 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 2.39 2.48 0.00 16 E 8.17 4.01 0.00 2.16 1.97 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 2.40 2.33 0.00 17 L 8.25 3.90 0.00 1.84 1.89 0.81 0.79 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 18 S 8.05 4.30 0.00 4.12 3.99 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 19 R 7.80 3.94 0.00 2.03 2.03 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 20 Y 8.20 3.88 0.00 3.00 3.04 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 21 Y 8.51 4.50 0.00 3.40 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 22 A 8.12 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 4.09 0.00 3.65 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 24 L 7.66 3.93 0.00 1.75 1.89 1.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.04 3.96 0.00 1.96 1.96 0.00 3.26 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 26 H 8.00 4.07 0.00 3.36 3.50 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.17 4.10 0.00 3.17 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 28 L 8.06 3.84 0.00 1.86 1.87 0.96 0.62 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 29 N 8.31 4.24 0.00 2.98 2.84 0.00 0.00 6.73 6.15 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 30 L 7.53 3.93 0.00 1.46 1.35 0.87 0.75 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 31 V 7.14 3.90 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 0.75 0.00 0.00 0.71 0.00 0.00 32 T 7.46 4.58 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 1.29 0.00 0.00 33 R 7.51 4.76 0.00 1.92 1.89 0.00 3.09 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 34 Q 7.75 3.92 0.00 1.56 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 7.30 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 35 R 8.01 4.09 0.00 1.71 1.87 0.00 3.33 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 36 Y 8.23 4.30 0.00 3.00 2.81 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