NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3300 8.2644 123.5807 52.2925 20.8574 175.8887 2 K 4.1472 8.3765 118.4435 56.4552 38.8605 173.1239 3 G 4.1138 9.7093 108.4001 44.3531 0.0000 170.1959 4 I 4.3629 7.5998 115.3886 62.9007 40.1596 178.7180 5 R 4.2365 7.6447 119.6101 55.7584 28.7410 176.1273 6 E 4.3805 7.8938 118.5252 55.5047 31.0711 175.1251 7 K 4.3469 8.5961 124.9897 57.1287 32.1568 176.2609 8 I 4.4371 8.5316 119.4091 59.1038 40.6847 174.7923 9 K 4.5434 8.3668 121.2744 55.5426 33.6216 176.8180 10 L 4.4563 8.4648 122.1911 53.3717 45.5502 176.6752 11 V 3.7696 8.2787 123.7037 62.5627 31.7092 174.2863 12 S 4.8357 8.9323 124.0853 57.1231 62.4673 173.0458 13 S 5.8224 8.8116 121.1882 55.9668 64.8730 174.1275 14 A 4.2957 8.7740 123.8868 52.1355 18.7901 178.4295 15 G 3.8772 9.1066 109.0420 47.2840 0.0000 173.4876 16 T 4.4130 7.5527 106.9691 62.8577 71.3877 175.8393 17 G 3.7430 7.9857 109.3848 45.5777 0.0000 175.1611 18 H 4.3995 8.2492 116.2589 56.8340 28.9217 175.1573 19 F 4.3211 8.4955 122.9259 57.9627 40.1416 173.9504 20 Y 5.4876 6.6620 122.7495 55.1779 41.1923 174.4404 21 T 4.3221 7.4888 113.1535 63.5037 70.9273 171.3928 22 T 4.3826 8.2172 114.1296 62.7529 69.8889 171.8195 23 T 4.7034 8.5391 116.7711 63.0015 72.8538 173.8542 24 K 4.6997 7.7014 118.5898 55.7678 35.3875 173.7751 25 N 4.9668 8.5488 124.5204 52.9258 43.0883 172.2557 26 K 5.0805 8.6646 120.2978 54.8444 35.1509 177.4931 27 R 4.0867 9.0593 124.5272 58.1618 29.4109 177.6711 28 T 4.0175 7.4792 108.8487 63.8162 69.0092 174.1083 29 K 4.7079 7.4941 119.1632 53.3947 36.2767 173.8258 30 P 4.4565 0.0000 0.0000 63.0881 31.5892 176.5548 31 E 4.6069 8.3952 117.8753 56.3856 31.3471 177.5825 32 K 4.5015 7.9651 115.5484 56.2966 31.3842 177.2266 33 L 4.7397 7.9090 116.7370 53.9229 43.7411 176.1512 34 E 4.6180 7.9019 117.3641 54.1177 32.0826 174.8561 35 L 4.9590 8.0593 121.0588 54.2243 43.8453 173.8510 36 K 4.2524 8.2334 116.4862 55.3913 35.8801 176.8549 37 K 4.5905 7.9124 116.7549 57.2277 32.9615 176.4103 38 F 4.8655 7.8504 118.8407 57.4027 39.9973 174.4875 39 D 4.3612 8.0459 120.3478 52.5168 42.0065 173.4099 40 P 4.2375 0.0000 0.0000 63.5993 31.9645 177.3798 41 V 3.5746 7.6842 119.0384 63.0783 31.7907 177.8053 42 V 3.4362 7.7219 115.5237 63.0963 31.9558 173.8980 43 R 3.8572 7.7116 119.8045 59.1855 29.9247 176.3576 44 Q 4.1734 8.5130 119.3685 55.4606 30.0976 173.0027 45 H 4.6056 8.6696 123.6830 56.1002 28.4215 174.8839 46 V 4.4171 8.4890 123.4986 62.0042 33.6667 175.6798 47 I 4.5584 7.4689 113.1199 58.4459 40.2938 173.6687 48 Y 5.0440 8.4756 126.7006 56.0546 39.5321 174.9943 49 K 3.9315 8.8278 124.5830 57.0204 32.7011 177.6184 50 E 3.1815 7.4511 116.4036 56.1436 28.7127 174.6399 51 A 4.3769 7.6594 118.6921 53.4711 17.9506 178.3493 52 K 4.4044 7.5297 112.5562 55.1105 35.4986 175.9996 53 I 3.0739 8.1874 118.9220 65.1655 37.0867 173.4988 54 K 4.4296 7.7698 126.3516 56.9675 33.4724 173.3951 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 A 8.26 4.33 1.30 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 0.00 0.00 2 K 8.38 4.15 0.00 1.64 1.92 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.49 7.81 3 G 9.71 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 0.00 0.00 0.00 4 I 7.60 4.36 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 1.47 0.98 0.91 0.00 0.00 5 R 7.64 4.24 0.00 1.91 2.02 0.00 3.02 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 6 E 7.89 4.38 0.00 1.94 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 2.22 2.31 0.00 7 K 8.60 4.35 0.00 1.68 1.79 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 I 8.53 4.44 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.93 0.00 0.00 9 K 8.37 4.54 0.00 1.63 1.76 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.52 7.81 10 L 8.46 4.46 0.00 1.54 1.49 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.28 3.77 1.99 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 0.73 0.00 0.00 0.82 0.00 0.00 12 S 8.93 4.84 0.00 4.04 4.03 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 0.00 0.00 0.00 0.00 13 S 8.81 5.82 0.00 4.16 4.03 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 0.00 0.00 0.00 0.00 14 A 8.77 4.30 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 15 G 9.11 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.55 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 17 G 7.99 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.40 0.00 3.39 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.50 4.32 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.66 5.49 0.00 2.80 2.82 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 21 T 7.49 4.32 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 1.43 0.00 0.00 22 T 8.22 4.38 4.37 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 1.22 0.00 0.00 23 T 8.54 4.70 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 1.26 0.00 0.00 24 K 7.70 4.70 0.00 1.78 1.62 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.42 7.81 25 N 8.55 4.97 0.00 2.72 2.61 0.00 0.00 6.34 6.43 0.00 0.00 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 K 8.66 5.08 0.00 1.85 1.58 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 27 R 9.06 4.09 0.00 1.95 2.04 0.00 3.16 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 28 T 7.48 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 K 7.49 4.71 0.00 1.70 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.42 7.81 30 P 0.00 4.46 0.00 2.03 1.97 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 31 E 8.40 4.61 0.00 1.89 1.92 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 2.26 2.30 0.00 32 K 7.97 4.50 0.00 1.73 1.81 0.00 1.72 0.00 0.00 2.35 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.40 7.81 33 L 7.91 4.74 0.00 1.56 1.62 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.90 4.62 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 35 L 8.06 4.96 0.00 1.73 1.55 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.23 4.25 0.00 1.37 0.74 0.00 1.26 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.91 7.81 37 K 7.91 4.59 0.00 2.02 2.06 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.64 7.81 38 F 7.85 4.87 0.00 3.09 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.36 0.00 2.69 2.53 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 40 P 0.00 4.24 0.00 1.18 1.91 0.00 3.63 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 41 V 7.68 3.57 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 0.95 0.00 0.00 0.82 0.00 0.00 42 V 7.72 3.44 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 0.62 0.00 0.00 0.89 0.00 0.00 43 R 7.71 3.86 0.00 1.76 1.98 0.00 3.28 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 44 Q 8.51 4.17 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 45 H 8.67 4.61 0.00 3.20 3.53 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.49 4.42 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 0.82 0.00 0.00 0.96 0.00 0.00 47 I 7.47 4.56 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.94 0.00 0.00 48 Y 8.48 5.04 0.00 2.98 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 49 K 8.83 3.93 0.00 1.95 2.05 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.47 7.81 50 E 7.45 3.18 0.00 2.04 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 1.73 1.96 0.00 51 A 7.66 4.38 1.27 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 0.00 0.00 52 K 7.53 4.40 0.00 1.62 1.74 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.36 7.81 53 I 8.19 3.07 1.85 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 1.17 0.52 0.89 0.00 0.00 54 K 7.77 4.43 0.00 1.93 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.30 7.81