NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3947 8.3049 120.3456 55.9829 32.5578 174.5274 2 T 4.0587 7.7974 124.4261 61.3785 67.7331 170.7619 3 T 4.5376 8.4063 119.1644 62.1488 70.0019 174.3628 4 F 4.9672 9.4304 126.4847 56.8592 41.3354 175.8395 5 K 5.1527 8.6338 120.9029 55.6955 36.1084 174.7825 6 L 4.0701 7.8612 120.2711 54.9697 44.2933 174.2139 7 I 4.9740 7.9205 129.1456 60.2268 38.4848 175.3623 8 I 4.1497 8.3253 128.4952 60.0769 37.8924 176.4506 9 N 4.7143 8.1640 130.2939 50.7478 36.9046 173.1768 10 G 4.3168 7.3779 108.6607 44.2014 0.0000 171.6613 11 K 4.0305 8.7039 119.1245 59.5574 32.6283 177.8655 12 T 4.0185 7.1743 106.5788 61.7466 69.4704 173.8245 13 L 3.5685 8.3395 128.6744 54.1159 41.0967 174.6111 14 K 4.3936 7.6180 112.7343 56.2681 33.2301 174.7096 15 G 3.9999 6.8405 114.4674 46.6992 0.0000 168.9101 16 E 5.5989 8.3869 112.8104 53.1662 29.2419 174.7937 17 I 3.8762 7.8785 119.6257 61.3778 39.0037 175.5791 18 T 4.9008 8.5854 120.8049 61.4227 70.0060 174.1185 19 I 4.8325 9.4450 117.6730 59.2079 41.3944 173.9186 20 E 5.0573 8.6982 121.5188 56.1508 31.0270 174.9915 21 A 4.5946 8.5374 121.6387 51.1005 22.2393 176.8243 22 V 3.7027 8.6015 119.3242 65.1223 31.5428 176.2078 23 D 4.8407 7.6197 117.3772 51.9944 45.9418 175.8766 24 A 2.0000 8.5037 121.2625 54.4554 17.8697 179.4288 25 A 3.7792 7.7207 118.9381 55.5989 18.4537 179.5887 26 E 3.7804 8.0104 116.0746 59.2653 29.4846 179.0964 27 A 3.7290 7.6011 120.7980 55.2835 18.3364 179.2374 28 E 3.0025 7.8594 117.8206 58.9877 29.3817 179.3566 29 K 3.7579 7.4186 118.4480 59.5307 32.2225 179.3680 30 I 3.5972 7.9101 120.3693 64.4403 37.0419 178.5891 31 F 4.6119 8.6111 119.3550 60.3189 38.6509 177.2308 32 K 4.0693 8.2914 115.7296 57.0894 32.0519 177.5633 33 Q 4.3981 7.7021 120.3462 57.9779 29.8270 176.4303 34 Y 4.1780 8.1943 120.1998 60.7770 38.5736 178.3306 35 A 3.6726 8.2281 121.1454 55.1348 18.4909 179.2431 36 N 4.2746 8.1928 114.5132 56.7845 38.5087 177.1408 37 D 4.4194 8.0045 118.5409 56.8556 40.8938 177.7740 38 N 4.7812 7.1978 114.8842 52.5972 39.8616 175.4385 39 G 4.1065 7.5346 109.1574 45.7677 0.0000 173.8505 40 I 4.1100 8.2493 122.7639 59.5279 37.1055 175.6225 41 D 4.8625 8.3004 125.6192 53.1087 44.7845 173.9460 42 G 4.4417 8.8603 121.9308 46.4867 0.0000 174.4147 43 E 4.8791 8.9009 127.2155 54.4088 33.5042 173.3285 44 W 6.0635 8.7072 120.3233 55.8160 33.3820 174.8148 45 T 4.8428 8.6862 113.8495 60.3599 71.7297 171.9543 46 Y 4.3559 8.7744 126.1062 56.1764 40.7708 174.4626 47 D 4.4778 7.6123 126.3618 52.0893 42.1291 176.1952 48 D 4.1257 8.0365 124.4692 54.4104 39.8426 177.2579 49 A 4.2895 7.6987 122.4122 53.4946 19.4697 177.8088 50 T 4.4622 7.4504 102.3030 60.3162 69.6992 173.8841 51 K 4.2292 8.2973 120.8540 58.3151 30.5666 174.4661 52 T 5.2032 7.4253 112.5336 62.2171 72.7228 174.4415 53 F 5.0352 8.3514 123.6861 57.0184 42.6651 175.2472 54 T 4.8059 8.3942 114.9967 63.5994 71.3666 172.3398 55 V 3.0935 7.7492 126.5131 60.1599 32.6297 176.2821 56 T 5.0430 8.1039 123.1384 61.6140 70.8437 175.2568 57 E 4.9692 8.1423 121.5160 55.5525 30.0696 174.8891 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 M 8.30 4.39 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 T 7.80 4.06 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 1.31 0.00 0.00 3 T 8.41 4.54 4.19 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 0.00 0.00 0.00 1.31 0.00 0.00 4 F 9.43 4.97 0.00 3.35 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 5.15 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.45 7.81 6 L 7.86 4.07 0.00 0.27 0.94 0.53 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.92 4.97 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.67 0.86 0.00 0.00 8 I 8.33 4.15 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.93 0.00 0.00 9 N 8.16 4.71 0.00 2.75 2.58 0.00 0.00 6.41 7.50 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 10 G 7.38 4.32 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 0.00 11 K 8.70 4.03 0.00 1.86 1.95 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.40 7.81 12 T 7.17 4.02 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 1.27 0.00 0.00 13 L 8.34 3.57 0.00 1.78 1.73 0.69 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.62 4.39 0.00 1.80 1.78 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.28 7.81 15 G 6.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 5.60 0.00 1.82 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 2.18 2.10 0.00 17 I 7.88 3.88 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 0.86 0.00 0.00 18 T 8.59 4.90 4.31 0.00 0.00 0.00 0.00 0.00 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 19 I 9.44 4.83 1.64 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 1.35 0.77 0.00 0.00 20 E 8.70 5.06 0.00 1.98 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 2.22 2.35 0.00 21 A 8.54 4.59 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 22 V 8.60 3.70 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 0.91 0.00 0.00 0.95 0.00 0.00 23 D 7.62 4.84 0.00 2.69 2.60 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 24 A 8.50 2.00 0.38 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 0.00 0.00 25 A 7.72 3.78 1.23 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 0.00 0.00 26 E 8.01 3.78 0.00 2.08 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 2.33 2.33 0.00 27 A 7.60 3.73 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 28 E 7.86 3.00 0.00 1.74 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 1.90 2.44 0.00 29 K 7.42 3.76 0.00 1.80 1.70 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.50 7.81 30 I 7.91 3.60 1.57 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 0.58 0.00 0.00 31 F 8.61 4.61 0.00 3.25 3.47 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 32 K 8.29 4.07 0.00 1.47 1.36 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.57 7.81 33 Q 7.70 4.40 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 34 Y 8.19 4.18 0.00 3.16 3.40 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 35 A 8.23 3.67 1.75 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 36 N 8.19 4.27 0.00 2.96 2.89 0.00 0.00 7.17 8.12 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 37 D 8.00 4.42 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.20 4.78 0.00 2.48 2.71 0.00 0.00 7.15 7.49 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 39 G 7.53 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 40 I 8.25 4.11 1.93 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 1.12 0.47 0.96 0.00 0.00 41 D 8.30 4.86 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.44 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 0.00 43 E 8.90 4.88 0.00 2.09 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 2.31 2.45 0.00 44 W 8.71 6.06 0.00 3.23 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 45 T 8.69 4.84 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 46 Y 8.77 4.36 0.00 2.68 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 47 D 7.61 4.48 0.00 2.51 2.29 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 48 D 8.04 4.13 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.29 1.28 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 0.00 0.00 0.00 50 T 7.45 4.46 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 1.20 0.00 0.00 51 K 8.30 4.23 0.00 1.96 1.92 0.00 1.52 0.00 0.00 2.08 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.50 7.81 52 T 7.43 5.20 4.19 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 0.00 0.00 0.00 1.20 0.00 0.00 53 F 8.35 5.04 0.00 2.86 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 54 T 8.39 4.81 4.19 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 0.00 0.00 0.00 1.12 0.00 0.00 55 V 7.75 3.09 0.67 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 0.30 0.00 0.00 0.44 0.00 0.00 56 T 8.10 5.04 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 1.21 0.00 0.00 57 E 8.14 4.97 0.00 1.82 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.17 0.00