NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 3.9246 8.4449 118.7671 56.1552 30.3121 176.9820 6 F 4.4696 9.0747 117.7093 56.4838 40.3659 174.2310 7 Q 4.1906 8.9389 124.0455 55.4104 30.3418 175.6537 8 S 4.3464 8.4515 120.5142 58.2635 63.5842 174.4254 9 K 4.1596 8.2936 121.9370 55.5369 32.4773 175.5869 10 P 4.3968 0.0000 0.0000 62.7417 31.9257 176.3736 11 L 4.0628 9.2899 123.9716 58.0157 42.2130 178.0112 12 L 4.4163 7.8013 117.7330 54.2191 42.4047 177.4633 13 T 4.2165 8.9590 114.0058 60.8419 70.9863 175.7638 14 K 3.8357 8.4656 121.2187 59.8671 32.1612 178.5388 15 R 4.4214 7.7839 119.6535 58.7990 30.0472 178.0279 16 E 4.0153 7.9967 118.1135 59.4458 29.4185 179.3306 17 R 3.9921 8.0121 118.6079 59.4629 30.2481 178.1876 18 E 3.9597 8.2455 118.4114 59.5412 29.4061 179.5668 19 V 3.5493 7.8871 117.9660 66.1905 31.6031 178.1779 20 F 3.9447 8.3935 117.4498 60.4720 38.5129 177.6258 21 E 4.1005 8.4600 117.8195 59.2279 29.4979 179.0568 22 L 4.1515 7.8523 119.0781 57.2905 41.8634 178.7367 23 L 3.8485 8.1280 121.2405 58.4325 41.9183 178.9057 24 V 4.0032 7.7878 107.9136 62.4401 31.4681 176.5054 25 Q 4.4490 7.9664 118.1982 55.6344 28.8245 175.8097 26 D 4.6879 8.0794 115.9535 54.5924 38.7510 174.4998 27 K 4.4069 7.7281 118.4177 56.1112 33.0434 177.6163 28 T 4.2826 8.9500 114.2409 61.2779 71.1324 176.1438 29 T 3.8651 8.2916 111.8184 64.5857 68.6725 176.4764 30 K 3.9626 7.9612 122.4395 59.3944 32.2535 178.5191 31 E 3.9992 8.0719 118.5247 59.3562 29.3050 179.3622 32 I 3.6739 7.9433 119.6998 64.2303 37.1850 178.3204 33 A 3.9720 7.9708 121.6292 55.1789 18.0949 179.6024 34 S 4.0852 8.1772 111.6239 61.6215 62.2825 176.0330 35 E 3.9751 8.2322 120.8263 58.8608 29.5219 177.8624 36 L 4.3337 8.0789 116.1094 53.5265 43.1379 175.9334 37 F 4.0964 7.9108 120.6529 58.7199 37.8493 173.5659 38 I 4.5032 7.8207 112.5599 58.0417 41.3725 175.8752 39 S 4.3441 8.2318 116.0082 58.2416 64.8050 175.0957 40 E 3.9581 8.5775 122.2135 59.3306 29.1921 179.3646 41 K 3.8462 8.0292 119.2506 59.9327 32.1960 178.7626 42 T 3.7614 7.8269 115.8252 66.4205 68.3444 176.6092 43 V 3.5949 7.5677 119.6757 66.3237 31.4559 178.3060 44 R 3.9096 8.1809 117.7329 59.2182 29.7753 178.8211 45 N 4.2949 8.3049 116.3446 56.7023 38.5717 177.0649 46 H 4.2467 8.2081 117.5238 59.0463 28.7699 177.9430 47 I 3.8055 7.9073 121.4907 64.3454 36.9303 178.3844 48 S 4.1171 8.4386 114.3267 61.5786 62.2358 176.0150 49 N 4.3630 8.5565 119.2078 56.3209 38.2831 177.3324 50 A 4.0371 8.1987 122.2206 55.4887 18.4974 179.6209 51 M 4.1379 8.4543 117.1598 58.1994 31.7736 178.7490 52 Q 4.0293 8.0164 119.4496 58.8689 29.2732 177.8261 53 K 4.1199 8.0437 119.0376 59.3447 32.1914 178.8686 54 L 4.2139 7.9330 117.7305 54.8305 41.9324 177.0037 55 G 3.8482 8.0062 106.5807 47.0258 0.0000 173.8203 56 V 4.4888 7.8273 112.8995 59.7403 34.8692 176.9642 57 K 4.3141 8.6177 122.5777 55.5584 32.5805 178.3544 58 G 4.3894 7.6002 102.2870 42.6574 0.0000 173.7514 59 R 4.0774 8.4415 119.6107 59.1007 30.1611 179.3345 60 S 4.1893 8.2173 114.8529 61.9658 62.8842 176.8767 61 Q 4.0529 8.1206 119.1656 59.0001 28.3849 178.1346 62 A 3.9191 7.9516 122.9244 54.8893 18.3624 179.7244 63 V 3.5142 8.0174 116.8195 66.1018 31.6770 178.3747 64 V 3.5641 7.7997 117.8605 66.1387 31.3123 177.8667 65 E 3.9499 8.2690 118.2459 59.4114 29.3319 179.2531 66 L 3.8800 8.1872 119.4155 57.8770 41.3858 179.6864 67 L 4.0315 8.1409 118.9854 57.7837 41.2909 179.7962 68 R 3.9597 7.7601 117.3798 59.2690 30.1399 178.3407 69 M 4.3049 8.2315 116.6586 55.5614 32.1003 177.3400 70 G 3.8769 7.5228 106.9465 46.1815 0.0000 174.0672 71 E 4.4002 8.0259 116.9265 55.9061 29.8738 175.8678 72 L 4.6618 7.3396 119.0403 54.2194 45.1190 173.7640 73 E 4.3523 9.2430 123.7950 57.7196 31.1106 176.3367 74 L 4.0848 7.9495 121.0406 55.0132 41.1321 174.1824 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 E 8.44 3.92 0.00 1.72 1.38 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 2.18 2.29 0.00 6 F 9.07 4.47 0.00 3.17 3.12 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 0.00 0.00 0.00 0.00 7 Q 8.94 4.19 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 8 S 8.45 4.35 0.00 3.91 3.79 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 9 K 8.29 4.16 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.46 7.81 10 P 0.00 4.40 0.00 2.18 2.09 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 11 L 9.29 4.06 0.00 1.51 1.78 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.80 4.42 0.00 1.69 1.58 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.96 4.22 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 1.23 0.00 0.00 14 K 8.47 3.84 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.51 7.81 15 R 7.78 4.42 0.00 1.90 1.64 0.00 3.34 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 16 E 8.00 4.02 0.00 2.28 2.14 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 2.65 2.38 0.00 17 R 8.01 3.99 0.00 1.92 2.08 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 18 E 8.25 3.96 0.00 2.22 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 2.35 2.54 0.00 19 V 7.89 3.55 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 0.90 0.00 0.00 0.94 0.00 0.00 20 F 8.39 3.94 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 21 E 8.46 4.10 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 22 L 7.85 4.15 0.00 1.81 1.69 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.13 3.85 0.00 1.77 1.70 0.80 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.79 4.00 2.12 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 0.85 0.00 0.00 1.07 0.00 0.00 25 Q 7.97 4.45 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.11 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 26 D 8.08 4.69 0.00 2.88 2.86 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 0.00 0.00 0.00 27 K 7.73 4.41 0.00 1.87 1.72 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.42 7.81 28 T 8.95 4.28 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 1.20 0.00 0.00 29 T 8.29 3.87 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 1.16 0.00 0.00 30 K 7.96 3.96 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.53 7.81 31 E 8.07 4.00 0.00 2.22 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 2.33 2.34 0.00 32 I 7.94 3.67 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.88 0.00 0.00 33 A 7.97 3.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.09 0.00 4.04 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 35 E 8.23 3.98 0.00 2.11 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 2.34 2.36 0.00 36 L 8.08 4.33 0.00 1.78 1.72 0.92 0.90 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 37 F 7.91 4.10 0.00 2.95 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 38 I 7.82 4.50 1.83 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 1.37 0.71 0.87 0.00 0.00 39 S 8.23 4.34 0.00 4.04 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 40 E 8.58 3.96 0.00 2.02 2.02 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 2.39 2.36 0.00 41 K 8.03 3.85 0.00 1.79 1.78 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 42 T 7.83 3.76 4.35 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 1.16 0.00 0.00 43 V 7.57 3.59 2.21 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 0.97 0.00 0.00 0.92 0.00 0.00 44 R 8.18 3.91 0.00 1.97 1.94 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 45 N 8.30 4.29 0.00 2.84 2.79 0.00 0.00 7.03 8.05 0.00 0.00 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 H 8.21 4.25 0.00 3.33 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.91 3.81 1.97 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.49 0.90 0.00 0.00 48 S 8.44 4.12 0.00 4.04 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 49 N 8.56 4.36 0.00 2.82 2.89 0.00 0.00 6.97 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 50 A 8.20 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.45 4.14 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.64 0.00 52 Q 8.02 4.03 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 53 K 8.04 4.12 0.00 1.93 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 54 L 7.93 4.21 0.00 1.61 1.69 0.81 0.92 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 55 G 8.01 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 0.00 0.00 0.00 56 V 7.83 4.49 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 0.74 0.00 0.00 0.94 0.00 0.00 57 K 8.62 4.31 0.00 1.77 1.71 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 0.99 7.81 58 G 7.60 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.08 0.00 1.90 2.05 0.00 3.15 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 60 S 8.22 4.19 0.00 3.88 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 61 Q 8.12 4.05 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 62 A 7.95 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.51 2.31 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 1.11 0.00 0.00 1.16 0.00 0.00 64 V 7.80 3.56 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 0.97 0.00 0.00 1.01 0.00 0.00 65 E 8.27 3.95 0.00 1.97 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 2.55 2.47 0.00 66 L 8.19 3.88 0.00 1.49 1.57 -0.02 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.14 4.03 0.00 1.88 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.76 3.96 0.00 1.94 1.97 0.00 3.37 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 69 M 8.23 4.30 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 70 G 7.52 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 71 E 8.03 4.40 0.00 1.90 1.93 0.00 0.00 0.00 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 2.31 0.00 72 L 7.34 4.66 0.00 1.48 1.45 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.24 4.35 0.00 2.00 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 2.25 2.25 0.00 74 L 7.95 4.08 0.00 1.79 1.83 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00