NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1989 8.2649 123.5827 53.1972 19.9498 176.3031 3 E 3.6558 8.7781 117.5839 57.1445 27.2287 175.1960 4 A 3.9800 8.2657 123.7162 55.2342 19.4128 179.7995 5 L 3.8572 7.9153 118.3730 58.2986 42.1198 178.6375 6 F 3.8670 8.2319 119.9855 61.3899 39.0971 177.0801 7 K 3.9882 8.2527 116.9705 59.3666 31.8523 178.6574 8 E 4.0826 7.7511 118.9082 59.2044 29.6498 178.5677 9 I 3.7456 7.2916 119.1026 63.3220 38.6926 177.3243 10 D 4.4058 7.6972 120.6250 53.1018 37.1464 176.5045 11 V 3.5550 7.5802 122.2671 65.3231 32.1793 176.2170 12 N 4.5502 8.2770 114.2919 52.1616 37.7024 175.2970 13 G 3.9241 7.9312 107.2038 46.8835 0.0000 174.1983 14 D 4.5018 8.5473 117.6265 53.0975 39.7895 177.2694 15 G 4.0769 9.1649 108.4075 45.5078 0.0000 173.2396 16 A 4.8560 8.2313 121.1032 50.0628 21.9779 176.0424 17 V 4.1216 8.4079 121.3921 61.3655 32.6819 176.5645 18 S 4.6443 8.9899 123.3689 57.2536 65.7759 174.4597 19 Y 3.9929 8.4641 122.1492 60.9557 38.4148 177.7757 20 E 3.8638 8.2995 118.9034 59.6513 29.5974 179.1183 21 E 3.9644 7.9024 118.5388 58.8822 29.5445 179.4152 22 V 3.4878 7.5429 118.4488 65.8549 31.6660 177.7929 23 K 3.6434 7.7113 119.1891 59.6537 31.8993 178.5419 24 A 4.0095 8.0704 120.8293 54.8403 18.2235 179.4629 25 F 4.0847 8.2490 119.4902 61.5142 39.4538 177.6797 26 V 3.5714 7.9850 117.9116 65.6904 31.2705 178.2533 27 S 4.0073 7.9280 115.0142 61.3434 62.8283 176.1799 28 K 3.7308 7.9418 122.2568 59.6378 31.8439 178.6917 29 K 3.6964 7.8936 118.6987 59.3888 31.9310 179.2688 30 R 3.8274 7.9868 118.1181 59.5125 29.9922 178.9805 31 A 4.0048 7.9891 120.0906 55.0350 18.2891 179.8971 32 I 3.6025 7.4982 118.2028 64.4199 37.1836 178.2802 33 K 3.8477 7.9297 120.4754 59.6481 31.8809 178.3952 34 N 4.2849 8.1683 116.4791 56.5616 38.4149 177.0688 35 E 3.9518 8.4568 120.1617 59.4533 29.1715 179.2275 36 Q 4.1733 8.0292 117.3023 57.6331 29.1218 177.9269 37 L 3.9609 8.1092 121.8070 58.1699 42.2085 178.4894 38 L 3.9139 7.8811 120.2622 58.5830 41.9392 178.7967 39 Q 4.1257 7.9865 118.8154 58.3345 28.7150 177.7735 40 L 4.0306 7.3142 120.7075 57.9029 42.5596 178.2808 41 I 3.8422 7.9700 120.0424 64.5740 37.1191 178.0321 42 F 3.9040 8.6091 121.6685 61.2290 38.9083 176.8466 43 K 4.0187 8.0552 118.2607 59.7810 31.9958 178.3136 44 S 4.2632 7.7786 112.3905 61.2194 62.4268 175.8478 45 I 3.8662 7.4024 121.2832 63.2710 38.5461 177.0199 46 D 4.4521 7.7361 120.4482 52.5340 36.9993 175.8479 47 A 3.9350 7.7536 127.2399 55.4848 18.8864 178.9287 48 D 4.5368 8.4620 111.1841 53.1388 39.3781 176.3502 49 G 4.0688 8.1452 108.0828 46.9129 0.0000 173.7583 50 N 4.6536 8.8963 114.8669 52.2435 37.7545 175.9135 51 G 4.1431 9.6922 108.7337 45.4123 0.0000 173.4348 52 E 4.9350 8.0946 117.3963 54.5436 33.2327 175.0389 53 I 4.4153 8.2904 121.7154 59.9152 38.4675 176.3027 54 D 4.7903 8.7501 126.4357 52.1287 42.4778 177.3051 55 Q 4.1491 8.4693 117.4307 59.0174 28.5429 178.8646 56 N 4.3820 8.2630 117.2865 56.4073 38.8047 177.1554 57 E 4.0120 8.4946 120.0538 59.2739 29.4640 179.1621 58 F 4.1919 8.7387 120.9569 61.1974 39.4272 177.0260 59 A 3.9835 8.4662 120.6525 55.1620 18.0198 179.3571 60 K 3.7652 7.9253 116.8426 59.6086 32.3489 178.4949 61 F 4.1803 7.9148 120.3016 61.3042 39.2727 176.6186 62 Y 3.8436 8.1599 119.0433 60.6344 38.5711 177.4901 63 G 3.6471 7.9651 105.0979 46.0813 0.0000 173.8317 64 S 4.5648 7.0754 116.8538 56.9145 63.2732 174.9795 65 I 3.6865 7.0208 121.7402 60.7285 36.0183 175.8741 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 4.20 1.25 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 0.00 0.00 3 E 8.78 3.66 0.00 2.28 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 0.00 2.24 2.23 0.00 4 A 8.27 3.98 1.34 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 0.00 0.00 5 L 7.92 3.86 0.00 1.79 1.69 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.23 3.87 0.00 3.10 3.16 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 7 K 8.25 3.99 0.00 1.96 1.90 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.84 7.81 8 E 7.75 4.08 0.00 2.01 2.13 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 2.45 2.42 0.00 9 I 7.29 3.75 1.34 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.61 0.00 0.00 10 D 7.70 4.41 0.00 2.12 2.38 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 11 V 7.58 3.55 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 0.86 0.00 0.00 0.97 0.00 0.00 12 N 8.28 4.55 0.00 2.88 2.90 0.00 0.00 7.00 6.49 0.00 0.00 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 G 7.93 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.55 4.50 0.00 2.83 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 15 G 9.16 4.08 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 0.00 16 A 8.23 4.86 1.26 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 0.00 0.00 0.00 17 V 8.41 4.12 1.96 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 0.70 0.00 0.00 0.14 0.00 0.00 18 S 8.99 4.64 0.00 4.10 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 Y 8.46 3.99 0.00 3.13 3.06 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 0.00 0.00 0.00 20 E 8.30 3.86 0.00 2.01 1.98 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 2.49 2.39 0.00 21 E 7.90 3.96 0.00 2.00 2.01 0.00 0.00 0.00 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 2.26 0.00 22 V 7.54 3.49 1.98 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 0.93 0.00 0.00 0.90 0.00 0.00 23 K 7.71 3.64 0.00 1.35 1.75 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.37 7.81 24 A 8.07 4.01 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 25 F 8.25 4.08 0.00 3.10 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 26 V 7.98 3.57 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 1.02 0.00 0.00 1.02 0.00 0.00 27 S 7.93 4.01 0.00 4.02 3.85 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 28 K 7.94 3.73 0.00 1.84 1.73 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.43 7.81 29 K 7.89 3.70 0.00 1.59 1.64 0.00 1.50 0.00 0.00 1.11 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.09 0.40 7.81 30 R 7.99 3.83 0.00 1.94 1.95 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 31 A 7.99 4.00 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 32 I 7.50 3.60 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.87 0.00 0.00 33 K 7.93 3.85 0.00 1.80 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 34 N 8.17 4.28 0.00 3.09 2.83 0.00 0.00 7.01 7.44 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 35 E 8.46 3.95 0.00 2.20 1.98 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 2.40 2.47 0.00 36 Q 8.03 4.17 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 37 L 8.11 3.96 0.00 1.75 1.66 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.88 3.91 0.00 2.03 1.67 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.99 4.13 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 40 L 7.31 4.03 0.00 1.89 1.90 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.97 3.84 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.61 0.86 0.00 0.00 42 F 8.61 3.90 0.00 3.17 3.16 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 43 K 8.06 4.02 0.00 2.09 1.91 0.00 1.88 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.54 7.81 44 S 7.78 4.26 0.00 3.94 4.11 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 45 I 7.40 3.87 1.47 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.51 0.72 0.00 0.00 46 D 7.74 4.45 0.00 2.29 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 3.94 1.29 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 0.00 0.00 0.00 48 D 8.46 4.54 0.00 2.82 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 49 G 8.15 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.90 4.65 0.00 2.84 3.09 0.00 0.00 7.07 7.22 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 51 G 9.69 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.93 0.00 1.98 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 2.29 2.42 0.00 53 I 8.29 4.42 1.79 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.09 0.92 0.00 0.00 54 D 8.75 4.79 0.00 2.97 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 55 Q 8.47 4.15 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 56 N 8.26 4.38 0.00 2.95 2.89 0.00 0.00 7.18 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.49 4.01 0.00 2.16 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 0.00 2.32 2.43 0.00 58 F 8.74 4.19 0.00 3.11 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.47 3.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.93 3.77 0.00 1.93 2.02 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 61 F 7.91 4.18 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.16 3.84 0.00 1.87 2.67 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 63 G 7.97 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.08 4.56 0.00 3.64 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 65 I 7.02 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.38 0.91 0.00 0.00