NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3238 8.3193 116.7935 59.0780 64.2986 172.6374 2 H 4.5872 7.6460 113.6998 55.6657 28.5899 173.5668 3 Y 4.3705 8.0493 117.5669 58.5503 39.8586 177.2773 4 E 4.3101 8.5882 121.9823 56.3761 30.4021 176.1225 5 E 4.6423 8.5304 119.6171 55.1463 33.5766 174.7780 6 G 3.8300 8.8257 106.0589 43.4092 0.0000 171.5144 7 P 4.3107 0.0000 0.0000 64.2418 31.3860 177.3744 8 G 3.8705 8.9488 110.5775 45.5742 0.0000 173.6134 9 K 4.4434 7.9026 117.3859 55.9378 33.8449 176.1816 10 N 4.9112 7.8946 115.9953 52.4021 38.3017 174.6119 11 I 4.4889 7.0825 110.6224 59.3172 40.5787 173.6446 12 P 4.4969 0.0000 0.0000 63.3276 31.4797 175.9438 13 F 4.9445 6.6831 112.7766 54.8918 40.6824 174.5374 14 S 4.2870 8.7278 117.8644 58.3048 62.8325 174.0092 15 V 4.5337 8.0945 125.2291 61.5287 31.6134 176.5398 16 E 4.0168 8.0847 121.9089 58.6666 29.5974 176.9826 17 N 4.9060 7.9263 116.9044 50.9246 41.4858 174.7007 18 K 3.7064 8.5571 128.5459 59.6014 32.6034 178.6895 19 W 4.4755 8.4680 120.2767 59.0388 29.1425 178.5614 20 R 4.0506 8.2956 118.4917 58.9948 29.6300 178.1109 21 L 3.9257 8.2241 120.6356 58.0486 42.1556 178.4422 22 L 3.9644 7.8633 120.0972 58.2655 41.8121 178.9961 23 A 4.0380 7.9401 120.0261 55.5594 18.3958 179.5134 24 M 4.0255 8.2449 117.3662 58.8416 32.0064 178.9965 25 M 4.1632 8.6298 119.1192 58.6468 32.1034 178.8476 26 T 3.9908 8.1108 115.8457 66.7016 68.6940 176.6016 27 L 4.0199 8.2889 120.9960 58.4535 41.8230 178.5511 28 F 3.9914 8.7784 120.4976 62.2010 38.9915 177.0550 29 F 4.1964 9.1491 117.2421 60.1825 38.8904 178.0925 30 G 3.7520 8.5122 105.9693 47.9811 0.0000 175.6971 31 S 4.2667 8.7099 118.1072 60.8812 62.5427 176.7759 32 G 3.5267 7.6350 107.9195 47.6816 0.0000 175.2137 33 F 4.3828 8.4795 122.3754 60.6855 39.7061 176.7869 34 A 4.4278 8.8426 120.9245 54.8462 18.1858 179.0295 35 A 4.0116 8.1012 119.5410 55.4266 18.3964 177.9902 36 P 4.0883 0.0000 0.0000 65.8820 31.2970 178.8816 37 F 4.0039 7.9510 115.9885 60.4468 38.8141 177.6303 38 F 4.1452 8.3747 116.7016 59.8842 38.7778 177.9382 39 I 3.8134 7.7580 120.0795 64.3381 36.9715 178.3921 40 V 3.5401 7.8784 119.1600 65.8846 31.2887 178.1350 41 R 3.8338 7.9009 118.4718 59.6769 29.7736 177.7939 42 H 4.1659 8.4356 117.0762 59.5989 29.9425 176.8800 43 Q 4.0656 8.4721 120.0087 58.9303 27.1157 178.6381 44 L 4.1120 8.1220 119.6927 56.8869 41.2498 178.2834 45 L 4.5417 7.3425 117.6591 54.5704 42.1122 177.1557 46 K 4.3932 8.5898 120.2863 54.9134 34.2497 176.3836 47 K 3.9464 7.0174 121.9110 56.9612 34.1293 173.7842 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 S 8.32 4.32 0.00 2.85 3.38 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 0.00 2 H 7.65 4.59 0.00 3.22 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.05 4.37 0.00 3.00 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 4 E 8.59 4.31 0.00 1.98 1.89 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 2.33 2.36 0.00 5 E 8.53 4.64 0.00 1.90 1.80 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 2.21 2.30 0.00 6 G 8.83 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 0.00 0.00 0.00 7 P 0.00 4.31 0.00 2.03 2.01 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 8 G 8.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.90 4.44 0.00 1.88 1.79 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 10 N 7.89 4.91 0.00 2.75 2.84 0.00 0.00 5.83 7.81 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 11 I 7.08 4.49 0.87 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.47 0.67 0.00 0.00 12 P 0.00 4.50 0.00 2.24 2.18 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 13 F 6.68 4.94 0.00 3.19 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 14 S 8.73 4.29 0.00 3.86 3.84 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 15 V 8.09 4.53 2.03 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 0.79 0.00 0.00 1.02 0.00 0.00 16 E 8.08 4.02 0.00 2.00 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 0.00 2.34 2.28 0.00 17 N 7.93 4.91 0.00 2.74 2.69 0.00 0.00 6.98 7.27 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 18 K 8.56 3.71 0.00 1.54 1.78 0.00 1.01 0.00 0.00 1.10 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.95 0.21 7.81 19 W 8.47 4.48 0.00 3.57 3.27 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 20 R 8.30 4.05 0.00 1.95 1.97 0.00 3.22 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 21 L 8.22 3.93 0.00 1.90 1.80 1.08 0.80 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 22 L 7.86 3.96 0.00 2.08 1.93 1.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.94 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.24 4.03 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 25 M 8.63 4.16 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 26 T 8.11 3.99 4.62 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 1.30 0.00 0.00 27 L 8.29 4.02 0.00 2.04 1.78 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.78 3.99 0.00 3.03 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 29 F 9.15 4.20 0.00 3.15 3.08 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 30 G 8.51 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 0.00 0.00 0.00 31 S 8.71 4.27 0.00 3.95 4.17 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 32 G 7.63 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 4.38 0.00 3.15 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.84 4.43 1.60 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 0.00 0.00 35 A 8.10 4.01 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.09 0.00 1.58 1.82 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 37 F 7.95 4.00 0.00 3.13 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.37 4.15 0.00 3.21 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 39 I 7.76 3.81 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.92 0.00 0.00 40 V 7.88 3.54 2.18 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 0.95 0.00 0.00 0.82 0.00 0.00 41 R 7.90 3.83 0.00 1.91 2.08 0.00 3.12 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 H 8.44 4.17 0.00 3.19 3.63 0.00 6.00 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 43 Q 8.47 4.07 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 44 L 8.12 4.11 0.00 1.98 1.71 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.34 4.54 0.00 1.64 1.67 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.59 4.39 0.00 1.61 1.78 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.35 7.81 47 K 7.02 3.95 0.00 1.79 1.73 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.24 7.81