NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3081 8.2493 123.5834 52.2967 19.5966 175.8024 2 D 4.4430 8.1189 121.3927 52.2359 43.2328 173.3519 3 K 3.7564 8.9223 121.9070 56.9334 31.3564 179.5473 4 S 4.0351 9.2530 116.1399 61.4853 62.9712 174.3278 5 D 4.1466 9.0069 117.8179 61.5333 39.5099 175.7303 6 L 3.8850 7.2403 117.5688 54.5388 39.4320 176.9397 7 G 4.8960 8.1219 125.4230 46.6012 0.0000 174.2944 8 Y 4.1684 7.5846 121.5276 60.1024 38.3522 177.9630 9 T 3.7683 8.1466 116.2079 67.6006 68.8722 175.4194 10 G 3.6015 8.2278 107.9478 45.6964 0.0000 175.2304 11 L 3.8904 7.7493 121.6612 59.0682 40.4051 178.8013 12 T 3.4620 8.2034 116.1945 66.6922 67.9539 176.1431 13 D 3.9994 7.8976 122.6211 57.1607 41.3592 179.1444 14 E 4.1151 7.8608 119.4358 59.1273 29.9349 178.4372 15 Q 4.3218 8.6363 119.4834 58.6391 28.4585 178.4196 16 A 4.1494 8.9485 123.0710 55.2180 18.1885 179.3832 17 Q 3.9473 8.1094 115.7792 58.8306 29.0239 177.8487 18 E 4.0121 8.4089 121.2525 58.6769 29.2295 178.6238 19 L 4.5682 7.3997 117.3881 57.4715 42.3177 176.9590 20 H 4.4683 8.5607 117.5061 56.9418 28.5686 177.5039 21 S 3.9426 8.2214 115.1222 61.8869 63.2745 177.1195 22 V 3.5802 7.7143 120.9048 65.9744 31.2725 177.0317 23 Y 3.8467 8.2267 120.2256 61.0133 38.3034 177.5173 24 M 4.3159 8.0453 119.8261 58.2163 32.3613 177.5234 25 S 4.5198 8.4688 114.1613 61.0855 62.6349 175.6954 26 G 3.7624 8.6418 108.7998 47.7615 0.0000 174.8750 27 L 4.1319 8.0622 121.2312 57.9027 41.5520 178.6773 28 W 4.8369 7.8765 123.8301 58.3082 30.8448 177.1458 29 L 4.2342 7.9798 120.0683 58.3931 41.5038 178.0191 30 F 4.4980 8.1766 115.5871 58.8480 38.9050 176.3947 31 S 4.2309 7.7200 110.5205 58.5412 62.8675 174.1241 32 A 4.2757 7.2527 121.1672 54.1929 20.2126 178.3115 33 V 3.3520 7.6085 116.3901 66.2064 31.4531 177.6294 34 A 3.6849 7.2128 119.7377 55.5631 18.1349 179.4493 35 I 3.4317 7.6653 117.0710 64.6746 37.0043 178.6220 36 V 3.4619 7.6079 118.5401 66.0352 30.9841 177.7177 37 A 3.8147 8.0141 120.8831 55.7741 17.9407 179.3855 38 H 3.9364 8.1625 114.4460 59.0202 28.8270 177.1127 39 L 4.3444 8.2241 120.6470 56.4630 41.2416 179.0922 40 A 4.0381 8.4756 120.8735 55.3494 18.3381 180.0535 41 V 3.5301 6.9382 115.6911 66.2520 31.7319 177.1573 42 Y 4.9148 6.6570 111.6861 58.5363 38.1879 176.5809 43 I 4.4156 8.0963 123.0825 61.7390 38.3848 176.9044 44 W 4.5934 7.8897 116.8016 57.1770 29.2533 177.5476 45 R 4.3532 7.9335 118.4065 58.3207 29.9324 175.4915 46 P 4.7793 0.0000 0.0000 62.5414 32.5072 174.7982 47 W 4.7842 8.8442 118.6720 57.9189 36.2001 174.5953 48 F 3.8603 8.4237 123.0082 58.6598 39.8441 174.5336 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 8.25 4.31 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 2 D 8.12 4.44 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.92 3.76 0.00 1.93 1.64 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 4 S 9.25 4.04 0.00 4.17 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 5 D 9.01 4.15 0.00 2.90 3.25 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 6 L 7.24 3.89 0.00 1.72 2.04 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.12 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.58 4.17 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 3.77 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 1.16 0.00 0.00 10 G 8.23 3.60 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 0.00 0.00 0.00 11 L 7.75 3.89 0.00 1.93 1.98 1.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.20 3.46 3.93 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 0.00 0.00 0.99 0.00 0.00 13 D 7.90 4.00 0.00 2.73 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 14 E 7.86 4.12 0.00 2.05 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 2.36 2.45 0.00 15 Q 8.64 4.32 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.49 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 16 A 8.95 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 17 Q 8.11 3.95 0.00 2.33 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 18 E 8.41 4.01 0.00 2.14 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 0.00 2.36 2.41 0.00 19 L 7.40 4.57 0.00 1.80 1.83 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.56 4.47 0.00 3.55 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.22 3.94 0.00 4.01 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 22 V 7.71 3.58 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 0.87 0.00 0.00 0.85 0.00 0.00 23 Y 8.23 3.85 0.00 3.36 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.05 4.32 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 25 S 8.47 4.52 0.00 4.17 3.81 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 26 G 8.64 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.13 0.00 2.13 1.90 1.26 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.88 4.84 0.00 3.31 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.98 4.23 0.00 1.87 1.85 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.18 4.50 0.00 3.07 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 31 S 7.72 4.23 0.00 4.04 4.22 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 32 A 7.25 4.28 0.77 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 0.00 0.00 33 V 7.61 3.35 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 1.00 0.00 0.00 0.95 0.00 0.00 34 A 7.21 3.68 1.12 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 0.00 0.00 35 I 7.67 3.43 1.84 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 1.42 0.51 0.90 0.00 0.00 36 V 7.61 3.46 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 1.19 0.00 0.00 0.93 0.00 0.00 37 A 8.01 3.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 3.94 0.00 3.36 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.22 4.34 0.00 1.69 1.66 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.48 4.04 1.37 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 0.00 0.00 0.00 41 V 6.94 3.53 1.53 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 0.49 0.00 0.00 0.76 0.00 0.00 42 Y 6.66 4.91 0.00 3.15 2.92 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 0.00 0.00 0.00 43 I 8.10 4.42 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 0.83 0.00 0.00 44 W 7.89 4.59 0.00 3.39 3.52 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 45 R 7.93 4.35 0.00 2.09 2.11 0.00 3.57 0.00 0.00 3.46 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 46 P 0.00 4.78 0.00 2.22 2.12 0.00 3.96 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 47 W 8.84 4.78 0.00 3.21 3.31 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 0.00 48 F 8.42 3.86 0.00 3.24 2.93 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 0.00 0.00 0.00