NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2996 8.3044 120.3255 55.1586 33.3741 174.2501 2 Q 4.1699 8.4430 124.7433 54.5919 29.9458 172.7548 3 Y 4.6483 9.4150 124.2793 56.0997 40.9238 174.5481 4 K 4.6057 8.7121 123.8943 54.6167 33.8705 176.0795 5 V 4.2624 8.0967 122.8162 61.2358 34.1949 174.0158 6 I 4.0577 8.2934 128.3572 60.0025 37.5922 175.1444 7 L 4.5139 8.1257 125.4002 52.8079 43.6411 176.0147 8 N 4.7580 8.3233 122.4340 52.1021 41.4482 176.5149 9 G 3.8191 8.6028 119.3844 44.9498 0.0000 173.5589 10 K 4.3260 7.9357 120.3153 55.4704 32.4194 176.4501 11 T 4.2209 8.4949 120.3696 63.8667 69.5662 174.0784 12 L 3.7314 7.2894 118.6328 55.6156 40.7362 174.8919 13 K 4.1295 7.5716 119.9448 56.7724 33.3953 177.1414 14 G 3.8427 8.8063 107.0423 44.9398 0.0000 171.5043 15 E 4.6681 7.9353 115.9749 53.8686 32.2423 175.1747 16 T 4.0501 8.2241 113.8099 62.3465 67.1402 172.2556 17 T 4.6953 7.6825 119.8262 61.7016 76.4400 174.7736 18 T 4.4763 7.2925 112.9193 60.3838 71.6370 171.3453 19 E 4.6374 8.2165 118.1986 56.2342 32.3121 173.1102 20 A 4.6928 8.2451 118.6221 53.6113 26.3000 177.7624 21 V 4.0436 7.5511 110.4067 60.7470 31.3191 175.1033 22 D 4.9013 7.4919 119.1657 52.4778 44.4473 175.2643 23 A 3.8706 8.5258 127.5153 55.6146 18.4131 180.1640 24 A 3.9212 7.9001 118.3600 55.3817 18.3820 179.8413 25 T 3.8516 7.7135 114.1166 66.5868 68.5276 176.4963 26 F 4.1908 8.2538 122.5244 61.3266 39.3927 176.8485 27 E 3.9377 7.6230 117.7681 59.3412 29.2675 179.4309 28 K 3.9737 8.0785 119.2432 59.5952 32.3580 179.0403 29 V 3.5899 8.0954 118.8770 66.0442 31.5062 178.1994 30 V 3.7880 8.2796 118.3971 65.7952 31.3588 178.0081 31 K 4.0243 8.6085 119.7852 59.5768 31.6633 178.6615 32 Q 3.9934 8.6822 120.2850 59.0735 28.7606 177.9404 33 F 4.0684 8.3168 120.9909 61.5043 39.7681 176.8670 34 F 3.7877 8.0224 117.1528 60.0266 38.7046 177.4302 35 N 4.6826 8.5695 118.0681 55.7916 38.0956 176.7814 36 D 4.4589 7.4769 118.9792 56.1458 40.9425 177.2732 37 N 4.8348 8.3963 115.7832 51.8873 38.9366 174.7521 38 G 4.0395 8.4046 109.8945 46.6609 0.0000 174.0078 39 V 4.3487 7.4714 116.9235 60.9720 34.6591 173.8796 40 D 4.6481 8.4563 124.4179 52.8075 45.4156 173.5151 41 G 3.9424 8.1371 104.3682 44.7343 0.0000 173.1671 42 E 4.6172 8.1468 121.6920 54.3693 33.6513 174.8338 43 W 4.1758 8.8054 121.8398 56.8329 29.2183 175.9515 44 T 4.6891 8.2006 113.8660 59.5988 70.4307 173.9992 45 Y 4.2136 8.4476 121.7804 57.9275 38.6132 175.7430 46 D 4.6956 8.5994 123.3223 53.8063 41.7833 175.9638 47 D 4.4408 8.5058 121.0406 53.9638 41.3399 176.6653 48 A 4.1473 8.5916 126.6657 53.0861 18.9304 176.7982 49 T 4.7802 8.1772 116.6691 61.6770 72.6640 173.5412 50 K 4.7016 8.5502 122.7562 54.8702 34.8657 175.9096 51 T 4.6353 8.2397 118.6631 61.4974 71.5552 173.3547 52 F 4.2997 8.9171 128.3715 57.9270 39.9396 174.4560 53 T 4.3237 7.5689 125.0129 61.6162 69.5537 175.0344 54 V 3.8489 8.0720 126.0921 63.6009 31.7330 173.8995 55 T 4.5650 7.6379 118.7077 61.4857 76.4400 173.9139 56 E 4.1356 8.0627 126.4633 57.1002 29.4604 174.6080 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 4.30 0.00 1.72 2.10 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 Q 8.44 4.17 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 3 Y 9.42 4.65 0.00 3.11 2.94 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 0.00 0.00 0.00 4 K 8.71 4.61 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 5 V 8.10 4.26 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.05 0.00 0.00 6 I 8.29 4.06 1.82 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 1.38 0.66 0.86 0.00 0.00 7 L 8.13 4.51 0.00 1.23 1.41 0.38 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.32 4.76 0.00 2.70 2.62 0.00 0.00 7.20 7.84 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 9 G 8.60 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 10 K 7.94 4.33 0.00 1.74 1.77 0.00 1.72 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 1.38 1.38 7.81 11 T 8.49 4.22 4.23 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 1.25 0.00 0.00 12 L 7.29 3.73 0.00 1.78 1.64 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.57 4.13 0.00 1.74 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.37 7.81 14 G 8.81 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 0.00 0.00 0.00 15 E 7.94 4.67 0.00 2.03 1.95 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 2.16 2.30 0.00 16 T 8.22 4.05 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 17 T 7.68 4.70 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 1.32 0.00 0.00 18 T 7.29 4.48 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 19 E 8.22 4.64 0.00 2.04 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 2.17 2.30 0.00 20 A 8.25 4.69 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 21 V 7.55 4.04 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 0.86 0.00 0.00 0.91 0.00 0.00 22 D 7.49 4.90 0.00 2.86 2.50 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 0.00 0.00 0.00 0.00 23 A 8.53 3.87 1.24 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 0.00 0.00 0.00 24 A 7.90 3.92 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 25 T 7.71 3.85 4.57 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 1.27 0.00 0.00 26 F 8.25 4.19 0.00 2.97 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 27 E 7.62 3.94 0.00 2.02 1.97 0.00 0.00 0.00 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 1.75 0.00 28 K 8.08 3.97 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 29 V 8.10 3.59 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 0.88 0.00 0.00 0.95 0.00 0.00 30 V 8.28 3.79 2.25 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 1.19 0.00 0.00 -0.49 0.00 0.00 31 K 8.61 4.02 0.00 2.13 2.03 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.45 7.81 32 Q 8.68 3.99 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 33 F 8.32 4.07 0.00 2.73 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 34 F 8.02 3.79 0.00 3.15 2.81 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 0.00 0.00 0.00 0.00 35 N 8.57 4.68 0.00 2.89 2.87 0.00 0.00 6.81 7.90 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 36 D 7.48 4.46 0.00 2.52 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.40 4.83 0.00 2.74 2.81 0.00 0.00 6.96 7.20 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 38 G 8.40 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.47 4.35 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 0.92 0.00 0.00 0.93 0.00 0.00 40 D 8.46 4.65 0.00 2.60 2.49 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 41 G 8.14 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.15 4.62 0.00 1.91 1.84 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 2.23 2.32 0.00 43 W 8.81 4.18 0.00 3.21 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 44 T 8.20 4.69 4.30 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 1.26 0.00 0.00 45 Y 8.45 4.21 0.00 3.06 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 46 D 8.60 4.70 0.00 2.74 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 47 D 8.51 4.44 0.00 2.70 2.64 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 48 A 8.59 4.15 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 49 T 8.18 4.78 4.26 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 1.23 0.00 0.00 50 K 8.55 4.70 0.00 1.73 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 51 T 8.24 4.64 4.26 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 1.24 0.00 0.00 52 F 8.92 4.30 0.00 2.96 2.99 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 53 T 7.57 4.32 4.02 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 0.00 0.00 1.12 0.00 0.00 54 V 8.07 3.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.04 0.00 0.00 55 T 7.64 4.57 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 1.18 0.00 0.00 56 E 8.06 4.14 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00