NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.2055 8.1293 121.6918 56.9180 38.8718 174.3096 2 P 4.8301 0.0000 0.0000 61.0553 34.5909 175.2887 3 A 3.9965 8.3127 130.1519 54.4289 17.8675 179.7233 4 K 3.7980 8.4473 114.5858 57.8692 28.5298 174.4865 5 P 4.3825 0.0000 0.0000 62.1356 30.9803 176.5578 6 E 3.7906 8.8515 122.5216 57.0097 29.4874 174.7765 7 A 3.3794 7.0551 127.0083 50.2203 19.5262 173.9231 8 P 3.8320 0.0000 0.0000 61.7977 30.5711 178.9414 9 G 4.1571 8.6674 100.4736 43.6098 0.0000 173.5622 10 E 6.3000 8.4904 127.6050 57.0693 28.6301 177.7447 11 D 4.4475 8.4326 119.4961 56.6666 41.4393 176.4139 12 A 4.6867 7.7012 118.0774 53.2637 21.7977 175.3751 13 S 4.4335 7.3304 114.0025 58.5139 67.4690 175.3138 14 P 4.7600 0.0000 0.0000 64.2870 31.5253 176.6124 15 E 4.7286 8.0295 117.6567 55.9782 31.5096 177.2996 16 E 3.8919 8.4217 117.1595 57.0236 30.4618 175.3246 17 L 4.7955 7.5984 117.0395 54.0121 40.5696 176.9933 18 S 4.0496 7.9499 113.8321 60.6879 60.0676 168.1821 19 R 3.7475 9.0245 125.8057 57.9684 28.5888 176.0730 20 Y 3.9092 8.1723 112.6893 58.4150 38.1110 172.5074 21 Y 3.8697 9.5403 121.0533 61.2977 37.4217 177.8575 22 A 2.9668 5.8000 121.3275 54.6933 18.5024 179.4607 23 S 3.9894 8.3918 111.5755 61.1602 62.3769 176.3145 24 L 4.1946 8.0316 122.0130 58.0547 40.9416 179.9253 25 R 3.8377 8.0440 118.3850 60.8035 30.2519 179.1579 26 H 3.8138 8.3834 114.6801 59.2891 29.0588 176.6088 27 Y 4.1473 8.2592 113.9006 60.7189 39.1997 176.2962 28 L 4.4987 5.9346 117.9625 54.9084 42.5893 177.1583 29 N 5.0823 8.4019 113.0374 52.1175 38.5565 174.5799 30 L 4.6563 8.0068 116.8918 56.4105 42.9554 177.5065 31 V 4.0922 8.0876 110.8953 61.7918 33.3442 176.6866 32 T 3.3577 7.7948 107.8074 65.4960 66.9833 173.8626 33 R 4.4946 6.6988 118.0174 57.3578 33.4846 177.8654 34 Q 3.9611 8.1406 113.8098 56.7328 28.6683 174.9818 35 R 3.5849 7.4521 122.6408 55.0372 30.3669 175.5063 36 Y 4.0566 7.8719 118.5722 58.1919 38.5874 176.2239 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 8.13 4.21 0.00 3.06 3.22 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 0.00 2 P 0.00 4.83 0.00 2.22 2.10 0.00 3.40 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 3 A 8.31 4.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.80 0.00 1.83 1.92 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.11 1.23 7.81 5 P 0.00 4.38 0.00 1.91 2.24 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 6 E 8.85 3.79 0.00 2.05 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 2.21 2.23 0.00 7 A 7.06 3.38 -0.08 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 0.00 0.00 0.00 0.00 0.00 8 P 0.00 3.83 0.00 2.13 1.86 0.00 3.60 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 9 G 8.67 4.16 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 0.00 0.00 0.00 10 E 8.49 6.30 0.00 2.17 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 2.03 2.16 0.00 11 D 8.43 4.45 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.69 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 13 S 7.33 4.43 0.00 3.88 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 4.76 0.00 2.26 2.18 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 15 E 8.03 4.73 0.00 2.36 2.27 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 2.30 2.31 0.00 16 E 8.42 3.89 0.00 2.35 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 17 L 7.60 4.80 0.00 1.99 1.82 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.95 4.05 0.00 3.96 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 0.00 19 R 9.02 3.75 0.00 1.62 1.99 0.00 3.29 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 20 Y 8.17 3.91 0.00 3.33 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 9.54 3.87 0.00 3.23 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 22 A 5.80 2.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.99 0.00 3.98 4.23 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 0.00 0.00 0.00 0.00 24 L 8.03 4.19 0.00 1.90 1.84 1.01 1.01 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 25 R 8.04 3.84 0.00 1.73 1.94 0.00 3.30 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 26 H 8.38 3.81 0.00 3.34 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.26 4.15 0.00 3.12 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 28 L 5.93 4.50 0.00 1.14 1.44 0.76 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.40 5.08 0.00 2.74 2.93 0.00 0.00 6.88 8.45 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 30 L 8.01 4.66 0.00 1.78 2.01 1.27 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.09 4.09 2.65 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 1.19 0.00 0.00 1.26 0.00 0.00 32 T 7.79 3.36 4.28 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 1.20 0.00 0.00 33 R 6.70 4.49 0.00 1.92 1.88 0.00 3.21 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 34 Q 8.14 3.96 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.19 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 35 R 7.45 3.58 0.00 1.90 1.92 0.00 3.42 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 36 Y 7.87 4.06 0.00 2.05 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