NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.3593 8.3531 120.1903 53.2482 42.2075 173.7228 6 G 3.9506 10.8688 109.0026 45.1882 0.0000 173.4261 7 D 4.4481 9.5405 128.1401 56.2755 42.0811 175.6212 8 L 4.5597 7.0608 118.7807 53.6422 43.0038 175.1838 9 Q 4.9865 7.8873 116.4597 53.9928 31.7250 175.1143 10 C 4.4195 8.5461 115.8705 57.1279 40.8086 174.1790 11 L 4.0592 8.7495 126.3198 58.2604 42.0602 178.2995 12 C 4.5924 8.2139 115.1715 56.9636 40.6178 173.9602 13 V 4.2067 8.1468 119.8496 61.7417 33.1130 175.9330 14 K 4.5642 7.7705 117.0854 55.6285 35.0222 174.8307 15 T 4.6835 8.2957 111.6650 60.5196 70.5459 173.9417 16 T 4.4850 8.9867 122.0687 62.3183 69.8753 174.7513 17 S 4.4589 8.6597 120.9309 60.3860 64.4074 175.3034 18 Q 4.3222 7.7865 122.8317 54.4074 26.8493 174.2504 19 V 4.3855 7.4036 119.1233 59.0948 34.4789 177.2139 20 R 4.2446 8.2853 119.5724 54.3838 28.3474 175.2348 21 P 4.2880 0.0000 0.0000 64.9632 31.6796 178.3580 22 R 4.0692 8.3613 118.3713 59.7030 30.2673 178.6125 23 H 3.9723 8.3032 113.6071 57.6157 28.9779 175.0034 24 I 4.2360 7.2036 120.7680 62.2048 36.7501 175.8518 25 T 4.4597 8.2011 121.3134 62.0273 68.4673 173.8372 26 S 4.6754 7.6601 112.9737 58.3948 65.8943 173.4722 27 L 5.0957 8.4200 125.5986 53.6278 45.1984 174.3348 28 E 4.6803 9.3883 127.2888 54.3248 32.4874 174.3384 29 V 4.7155 8.4863 126.6449 61.3409 33.4439 174.4580 30 I 4.5190 8.7816 129.3395 59.2137 39.4856 175.4227 31 K 4.4518 8.7078 127.9677 55.9806 33.1846 176.1811 32 A 4.3943 8.6089 127.1875 51.4361 19.1808 177.3541 33 G 3.8233 8.0237 103.8027 45.9462 0.0000 172.0758 34 P 4.2754 0.0000 0.0000 65.7506 31.7939 177.5209 35 H 4.3432 8.0395 113.5800 58.3393 29.0021 175.9304 36 C 4.8938 7.4038 118.3097 54.4447 46.7289 172.7578 37 P 4.1408 0.0000 0.0000 64.9511 31.0866 175.7187 38 T 4.7779 7.4284 107.1359 59.2196 71.9413 173.4019 39 A 4.5079 8.4098 123.9144 52.0527 19.8310 176.6879 40 Q 4.4563 9.2842 117.1191 54.4140 33.7027 174.9109 41 L 5.0085 8.5207 122.3291 53.0888 43.7239 174.3248 42 I 4.7370 8.7155 124.8367 59.6421 39.0003 174.4402 43 A 5.1068 9.2215 130.1093 50.5329 21.3276 176.0206 44 T 4.8232 8.4492 119.1006 62.6498 71.0625 173.8015 45 L 5.2256 8.4895 122.3320 52.4782 45.4465 177.3982 46 K 4.0172 8.9939 122.6957 59.9713 31.9398 177.7625 47 N 4.4199 8.3027 115.2479 53.9982 37.6313 175.7219 48 G 4.0088 8.4146 107.6851 45.0486 0.0000 173.9702 49 S 4.5143 7.7593 114.3210 57.7666 64.2483 172.8932 50 K 5.2497 8.2227 119.5404 54.7614 35.7066 175.7339 51 I 4.7687 8.9367 116.2529 59.5819 41.7198 173.0222 52 C 5.3428 8.6840 120.0866 55.5586 42.4388 172.8891 53 L 5.0274 8.5369 123.3847 52.9018 43.4006 176.0401 54 D 4.4400 8.4868 121.5810 54.0115 41.7159 177.4229 55 L 3.8769 8.5119 126.6613 57.2414 41.8860 177.2890 56 Q 4.6441 8.7955 117.2932 55.4974 27.8804 175.3496 57 A 4.7781 7.7804 118.6404 49.7789 22.3780 176.6316 58 P 4.3770 0.0000 0.0000 65.3709 32.1419 178.9319 59 L 3.8149 7.6128 119.1164 58.2981 41.9951 178.7340 60 Y 4.2728 8.2734 117.2708 59.9871 37.8020 178.1822 61 K 3.5299 7.4951 120.6150 58.7915 32.0220 179.1335 62 K 3.8590 7.6423 119.2550 59.6426 32.2878 178.6417 63 I 3.7042 8.2804 120.2894 64.6459 37.0750 178.5707 64 I 3.7534 8.1681 120.8903 63.9624 36.8197 178.5358 65 K 3.8556 7.7178 120.6787 59.5138 31.9391 178.8098 66 K 3.9152 7.9330 118.3930 59.5459 32.0391 178.2531 67 L 4.1900 7.8232 118.5728 57.2160 41.7357 178.6465 68 L 4.3158 7.6754 117.3701 56.0004 41.9592 176.6211 69 E 4.3155 7.9598 118.2669 56.6629 29.9668 176.4325 70 S 4.3165 8.1450 118.7258 58.6708 63.0854 168.3876 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 5 D 8.35 4.36 0.00 2.65 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 6 G 10.87 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 7 D 9.54 4.45 0.00 2.66 2.75 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 8 L 7.06 4.56 0.00 1.77 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.89 4.99 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 10 C 8.55 4.42 0.00 3.07 3.26 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 11 L 8.75 4.06 0.00 1.59 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.21 4.59 0.00 3.12 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 13 V 8.15 4.21 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 14 K 7.77 4.56 0.00 1.83 1.76 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 15 T 8.30 4.68 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 1.23 0.00 0.00 16 T 8.99 4.49 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 1.24 0.00 0.00 17 S 8.66 4.46 0.00 3.98 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 18 Q 7.79 4.32 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 19 V 7.40 4.39 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 0.94 0.00 0.00 20 R 8.29 4.24 0.00 2.04 2.15 0.00 2.93 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.45 0.00 21 P 0.00 4.29 0.00 2.07 2.19 0.00 3.69 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 22 R 8.36 4.07 0.00 1.93 1.91 0.00 3.11 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 23 H 8.30 3.97 0.00 3.23 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.20 4.24 1.89 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 1.14 0.50 1.02 0.00 0.00 25 T 8.20 4.46 4.25 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 1.32 0.00 0.00 26 S 7.66 4.68 0.00 3.89 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 5.10 0.00 1.64 1.49 0.98 0.91 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 28 E 9.39 4.68 0.00 2.03 1.74 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 2.17 2.20 0.00 29 V 8.49 4.72 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 0.84 0.00 0.00 0.96 0.00 0.00 30 I 8.78 4.52 1.86 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 1.09 0.47 0.87 0.00 0.00 31 K 8.71 4.45 0.00 1.78 1.72 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 A 8.61 4.39 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 33 G 8.02 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 34 P 0.00 4.28 0.00 2.05 2.11 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 35 H 8.04 4.34 0.00 3.36 3.58 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.40 4.89 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 37 P 0.00 4.14 0.00 2.19 2.15 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 38 T 7.43 4.78 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 1.19 0.00 0.00 39 A 8.41 4.51 1.22 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 0.00 0.00 40 Q 9.28 4.46 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 41 L 8.52 5.01 0.00 1.55 1.54 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.72 4.74 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 1.15 0.78 0.91 0.00 0.00 43 A 9.22 5.11 1.22 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 0.00 0.00 44 T 8.45 4.82 4.25 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 1.28 0.00 0.00 45 L 8.49 5.23 0.00 1.57 1.55 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.99 4.02 0.00 1.90 1.90 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 47 N 8.30 4.42 0.00 2.88 2.95 0.00 0.00 6.29 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 48 G 8.41 4.01 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 0.00 0.00 0.00 49 S 7.76 4.51 0.00 4.02 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 50 K 8.22 5.25 0.00 1.60 1.69 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 51 I 8.94 4.77 1.87 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 1.23 0.95 0.91 0.00 0.00 52 C 8.68 5.34 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 5.03 0.00 1.50 1.62 1.00 1.02 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 54 D 8.49 4.44 0.00 2.68 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 55 L 8.51 3.88 0.00 1.58 1.61 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.80 4.64 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 57 A 7.78 4.78 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 58 P 0.00 4.38 0.00 2.16 2.04 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 59 L 7.61 3.81 0.00 1.76 1.75 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.27 4.27 0.00 3.23 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.50 3.53 0.00 1.59 1.64 0.00 1.51 0.00 0.00 1.34 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.30 1.13 7.81 62 K 7.64 3.86 0.00 1.76 1.94 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.50 7.81 63 I 8.28 3.70 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 0.94 0.00 0.00 64 I 8.17 3.75 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.93 0.00 0.00 65 K 7.72 3.86 0.00 1.85 1.93 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.42 7.81 66 K 7.93 3.92 0.00 1.90 1.93 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 67 L 7.82 4.19 0.00 1.83 1.72 0.94 0.93 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 68 L 7.68 4.32 0.00 1.64 1.72 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.96 4.32 0.00 1.97 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 0.00 2.31 2.43 0.00 70 S 8.15 4.32 0.00 4.00 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