NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6745 8.3249 119.4794 57.4032 40.3808 173.9281 2 E 4.5115 8.4743 122.3223 53.5844 32.0597 174.8023 3 N 4.6205 9.3727 121.5125 53.4725 38.7953 173.9585 4 R 4.5883 8.2685 124.3135 56.0778 30.8717 179.0941 5 V 3.6039 8.6090 121.3171 65.9744 31.3474 177.4284 6 A 4.1592 8.1762 120.1305 55.7853 18.0939 179.4175 7 E 3.9805 8.0201 116.7611 59.3683 29.4409 179.7527 8 K 4.1724 7.9459 118.2501 59.3170 32.2884 179.0873 9 Q 4.0919 8.5542 118.9381 58.9291 28.4425 179.0675 10 K 3.8991 7.9695 119.1645 59.3480 32.6219 178.1748 11 L 3.9417 7.8394 120.5353 58.3125 41.8174 178.7553 12 F 4.2989 8.3044 115.1899 58.9960 39.1035 176.7503 13 Q 4.4865 7.6847 116.1890 54.4033 29.2347 175.3183 14 E 3.9426 7.3754 122.5195 56.4137 30.0900 177.2898 15 D 4.6491 8.4891 126.9159 53.2729 39.3588 174.8833 16 N 4.7951 8.2413 115.9441 51.4921 38.5270 176.5898 17 G 3.9539 8.3101 107.2524 45.4802 0.0000 173.7790 18 L 4.1992 7.6019 120.0872 53.2280 42.4989 175.3509 19 P 4.4889 0.0000 0.0000 62.3166 31.9362 177.6542 20 V 3.7638 8.4715 119.4904 65.0599 31.3150 177.8788 21 H 4.3713 8.3200 114.3983 57.1852 28.4500 175.5697 22 L 4.6089 7.7081 118.9462 54.3271 42.5475 177.5183 23 K 4.1275 7.9038 119.6309 57.6450 32.3030 177.5721 24 G 3.6402 9.0096 106.8121 46.3572 0.0000 172.7070 25 G 3.6735 7.2095 105.2396 44.2193 0.0000 174.1786 26 A 4.1014 8.6561 120.1508 55.1166 18.2792 180.0971 27 T 3.8744 7.9348 114.2751 66.8744 68.4124 176.2610 28 D 4.4339 8.1264 121.0248 57.3707 40.8041 178.5137 29 N 4.4781 8.0168 116.6614 56.0939 38.4990 177.5127 30 I 3.7802 7.6263 121.4227 64.2786 37.3996 177.9632 31 L 3.9478 8.0768 121.2519 58.3618 41.8342 178.2609 32 Y 4.1501 8.4649 119.6826 61.0712 38.7811 178.5790 33 R 3.6877 8.2666 118.8501 58.7589 30.0108 179.1498 34 V 3.5334 8.0482 118.5721 66.2980 31.4576 178.2482 35 T 3.7814 7.6801 115.2025 66.9693 68.2691 176.4983 36 M 3.8867 8.0443 120.4369 58.7346 32.0613 178.4500 37 T 3.8262 7.8920 116.0219 66.4459 68.6053 176.6096 38 L 3.9403 8.0709 121.1794 58.1421 41.5940 179.5928 39 C 4.1422 8.2928 116.5646 62.7565 28.0777 176.2154 40 L 4.0744 8.2201 120.9401 57.6331 41.1834 179.5270 41 G 3.8168 8.3186 106.0309 48.0455 0.0000 175.8096 42 G 3.7463 8.4872 109.1997 47.7118 0.0000 175.8183 43 T 4.0842 8.3084 119.7938 65.9339 68.4487 176.8079 44 L 4.1461 8.2109 121.0350 57.6981 41.5591 178.8151 45 Y 4.4106 8.3833 120.2164 60.4196 38.8122 177.5471 46 S 4.0333 8.6578 115.8759 61.4540 62.8745 176.6648 47 L 4.1231 8.0158 122.5279 57.6748 41.3307 178.8096 48 Y 4.0957 8.1384 119.5607 60.8712 38.7340 177.5930 49 C 3.9497 8.3781 118.1308 62.6938 28.1656 175.9594 50 L 4.0326 8.1359 121.9099 58.1773 41.5140 179.0481 51 G 3.8190 7.9838 104.4265 47.6721 0.0000 175.1673 52 W 4.0958 8.1774 130.1829 60.2711 30.6835 177.9567 53 A 4.0852 8.2316 118.3442 54.2059 17.9103 179.0370 54 S 4.0448 7.8901 112.8523 58.9798 63.3083 174.1428 55 F 4.7284 6.7991 118.9446 54.4782 41.6096 173.3632 56 P 4.3840 0.0000 0.0000 62.7224 32.3010 176.0506 57 H 4.4220 8.1945 115.6404 56.1834 29.6156 173.4707 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 F 8.32 4.67 0.00 2.91 3.11 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 0.00 0.00 0.00 0.00 2 E 8.47 4.51 0.00 2.02 1.86 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 2.23 2.38 0.00 3 N 9.37 4.62 0.00 2.72 2.80 0.00 0.00 6.97 7.65 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 4 R 8.27 4.59 0.00 1.92 2.07 0.00 3.37 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.57 0.00 5 V 8.61 3.60 2.19 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 1.11 0.00 0.00 0.98 0.00 0.00 6 A 8.18 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.98 0.00 2.10 2.02 0.00 0.00 0.00 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 2.36 0.00 8 K 7.95 4.17 0.00 2.04 2.07 0.00 1.99 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.57 7.81 9 Q 8.55 4.09 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 10 K 7.97 3.90 0.00 1.76 2.00 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 11 L 7.84 3.94 0.00 1.66 1.57 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.30 4.30 0.00 3.15 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 13 Q 7.68 4.49 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 14 E 7.38 3.94 0.00 2.12 1.87 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 2.29 2.22 0.00 15 D 8.49 4.65 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.80 0.00 2.78 2.83 0.00 0.00 6.47 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 17 G 8.31 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.60 4.20 0.00 1.75 1.57 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.49 0.00 2.28 2.20 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 20 V 8.47 3.76 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 0.85 0.00 0.00 0.92 0.00 0.00 21 H 8.32 4.37 0.00 3.31 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.71 4.61 0.00 1.54 1.57 0.70 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.90 4.13 0.00 1.98 2.12 0.00 2.04 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.38 1.35 7.81 24 G 9.01 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.21 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.10 1.33 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 0.00 0.00 27 T 7.93 3.87 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 1.24 0.00 0.00 28 D 8.13 4.43 0.00 2.89 2.90 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 29 N 8.02 4.48 0.00 2.89 2.93 0.00 0.00 7.17 7.41 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 30 I 7.63 3.78 2.05 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 1.43 0.85 0.93 0.00 0.00 31 L 8.08 3.95 0.00 1.96 1.75 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.46 4.15 0.00 3.19 3.23 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 33 R 8.27 3.69 0.00 1.99 1.94 0.00 3.34 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 1.70 1.89 0.00 34 V 8.05 3.53 2.22 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 1.10 0.00 0.00 0.95 0.00 0.00 35 T 7.68 3.78 4.29 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 0.00 0.00 0.00 1.19 0.00 0.00 36 M 8.04 3.89 0.00 1.59 1.51 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 37 T 7.89 3.83 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 38 L 8.07 3.94 0.00 1.85 1.71 0.90 1.21 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 39 C 8.29 4.14 0.00 3.07 2.96 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 0.00 0.00 0.00 40 L 8.22 4.07 0.00 1.66 1.71 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.32 3.82 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 0.00 0.00 0.00 42 G 8.49 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 43 T 8.31 4.08 4.38 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 1.24 0.00 0.00 44 L 8.21 4.15 0.00 1.89 1.79 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.38 4.41 0.00 3.02 3.21 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 46 S 8.66 4.03 0.00 4.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.12 0.00 1.97 1.82 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.14 4.10 0.00 3.21 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 49 C 8.38 3.95 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.14 4.03 0.00 1.85 1.87 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.98 3.82 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 0.00 0.00 0.00 52 W 8.18 4.10 0.00 3.04 3.25 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 0.00 0.00 0.00 0.00 53 A 8.23 4.09 1.46 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 0.00 0.00 54 S 7.89 4.04 0.00 3.65 3.32 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 55 F 6.80 4.73 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.08 1.94 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 57 H 8.19 4.42 0.00 2.98 3.22 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00