NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3059 8.2649 123.5817 51.9569 19.9437 176.0221 4 L 4.4676 8.1273 120.6196 52.3551 43.8204 174.8096 5 A 4.2592 8.3732 124.3529 50.9342 20.3709 177.2061 6 K 3.7630 8.6096 122.3708 56.4165 32.3526 175.1201 7 P 4.6526 0.0000 0.0000 60.9927 33.2178 174.8431 8 Q 4.1326 8.3516 119.6130 56.5057 29.2128 175.2638 9 M 4.7477 8.5675 122.0187 54.5174 34.3640 175.4507 10 R 4.5868 7.8896 117.1897 55.1647 32.8460 175.5380 11 G 4.0184 8.6111 107.5847 46.7532 0.0000 176.0543 12 L 4.0197 7.9140 121.1633 57.1447 41.6768 178.6270 13 L 3.9609 7.8337 119.8141 57.9841 42.1284 178.6344 14 A 3.9786 7.9036 120.3046 55.0327 18.4358 179.3558 15 R 3.8275 8.0556 117.2223 59.6906 30.2969 178.6568 16 R 3.9789 8.0617 118.4592 59.3162 30.0062 178.2016 17 L 3.9934 8.1308 120.2556 58.0663 42.2618 178.7035 18 R 3.8785 8.2610 118.8647 59.5108 30.1363 177.8535 19 F 4.0614 8.1907 120.1322 62.0675 39.3043 176.9408 20 H 4.2738 8.3656 114.7562 58.5091 28.4447 177.9339 21 I 3.7561 8.0016 122.0892 64.1780 36.8800 178.5494 22 V 3.6879 7.7771 119.0258 65.7438 31.2503 178.0456 23 G 3.5293 7.7482 105.0247 47.9906 0.0000 175.1384 24 A 3.9809 8.2675 124.2180 54.6514 18.2880 179.3468 25 F 4.1598 8.5332 119.0222 61.8699 39.4870 177.0612 26 M 3.7781 8.2019 118.1240 58.5744 31.8451 178.9758 27 V 3.5832 7.9725 118.2453 66.0167 31.5993 178.3265 28 S 4.1561 7.7178 114.5446 61.5644 62.7336 176.4550 29 L 3.9733 7.6145 121.7668 57.9164 41.1484 179.8347 30 G 3.6964 8.1620 105.4601 47.6511 0.0000 175.2094 31 F 4.3621 8.3369 122.1733 60.5820 39.6333 176.9963 32 A 3.8601 8.6416 120.7197 55.6822 17.8789 179.4074 33 T 3.8272 7.8329 112.8952 66.8507 68.9659 175.9240 34 F 4.3416 7.8820 121.8467 61.4923 39.3796 176.4439 35 Y 3.4565 8.1316 119.2450 60.4623 38.3645 178.2063 36 K 4.4884 7.8572 113.9243 56.9587 31.4907 176.9076 37 F 4.5181 7.5970 120.9593 59.6818 41.4070 176.3991 38 A 3.2670 7.8482 120.9109 52.9384 18.8391 177.0706 39 V 3.7807 7.3062 113.2912 63.7918 33.2560 177.2423 40 A 3.9162 7.2550 120.7928 55.2016 18.2462 179.1510 41 E 3.8475 7.8919 115.5525 59.1855 29.7574 179.2667 42 K 3.6587 7.2458 119.3010 59.6245 31.9874 178.7445 43 R 3.9209 8.0710 118.7913 59.4628 30.0271 178.6524 44 K 4.0293 8.1532 118.3789 59.3132 32.0069 179.3272 45 K 3.9900 8.5252 120.2187 59.2817 32.1259 178.8140 46 A 4.0730 8.0275 121.0909 55.1738 18.2101 179.3637 47 Y 3.6901 8.0664 115.1168 61.1685 37.8604 178.1203 48 A 4.1688 8.1175 120.3424 55.4867 18.9100 179.1516 49 D 4.4719 8.7263 117.7799 57.2192 40.6845 178.8116 50 F 3.9738 8.0928 120.7439 61.4628 39.3717 175.6024 51 Y 4.5623 8.0815 114.7353 58.6388 38.1352 176.7056 52 R 4.1398 7.7476 119.7719 59.2269 30.1867 178.4867 53 N 5.0212 7.7614 113.1928 52.7863 39.4307 174.0684 54 Y 4.0212 8.0508 119.6249 57.3266 39.5178 174.5691 55 D 4.4890 7.9927 126.7285 52.5548 42.2794 176.6623 56 S 3.6596 7.9133 123.6345 61.2393 63.1899 176.0848 57 M 4.1734 7.9665 122.1988 57.8481 31.8138 178.4050 58 K 3.8958 8.0510 119.4934 59.4360 32.4352 178.1297 59 D 4.3926 8.1143 118.5797 57.5082 41.0614 178.0168 60 F 4.3747 8.6228 121.2372 61.4800 39.3388 176.4679 61 E 3.5470 8.4160 118.8643 59.3898 29.1461 178.6882 62 E 3.9165 7.9595 117.1534 59.5506 29.8705 179.0342 63 M 4.0050 7.9573 118.6184 58.2831 32.0855 178.4265 64 R 3.9830 8.2085 119.1337 59.8113 29.9232 178.6822 65 K 4.0071 8.1198 116.2040 58.7626 32.0724 178.4367 66 A 4.2732 7.5916 119.2515 52.0685 18.7177 177.7573 67 G 3.7956 7.8229 105.4338 46.1131 0.0000 175.0916 68 I 3.7878 7.4077 114.2314 61.9912 38.2042 175.8875 69 F 5.0936 7.6176 119.1567 56.5960 40.3016 175.4674 70 Q 4.3746 8.8602 122.2357 57.8142 29.3327 177.3198 71 S 4.3271 8.1167 110.0303 58.9505 63.8175 173.7157 72 A 4.5400 7.8193 122.6829 50.5291 20.4431 175.7919 73 K 4.2548 8.7168 120.3677 57.3817 32.3445 177.1372 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 3 A 8.26 4.31 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 4 L 8.13 4.47 0.00 1.71 1.58 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.37 4.26 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 6 K 8.61 3.76 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 7 P 0.00 4.65 0.00 2.20 2.05 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 8 Q 8.35 4.13 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.57 4.75 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 10 R 7.89 4.59 0.00 1.77 1.81 0.00 3.36 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 11 G 8.61 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 0.00 0.00 0.00 0.00 12 L 7.91 4.02 0.00 1.70 1.72 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.83 3.96 0.00 1.76 1.65 0.92 1.00 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 14 A 7.90 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.83 0.00 1.92 2.07 0.00 3.25 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 16 R 8.06 3.98 0.00 2.05 2.11 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 17 L 8.13 3.99 0.00 1.82 1.86 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.26 3.88 0.00 1.94 2.27 0.00 3.21 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 19 F 8.19 4.06 0.00 3.15 3.24 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 20 H 8.37 4.27 0.00 3.38 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.00 3.76 1.88 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 1.57 0.94 0.90 0.00 0.00 22 V 7.78 3.69 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 0.98 0.00 0.00 0.88 0.00 0.00 23 G 7.75 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.27 3.98 1.40 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 0.00 0.00 25 F 8.53 4.16 0.00 3.04 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 26 M 8.20 3.78 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 27 V 7.97 3.58 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 1.00 0.00 0.00 0.95 0.00 0.00 28 S 7.72 4.16 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.61 3.97 0.00 1.59 1.56 0.44 0.46 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 30 G 8.16 3.70 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 0.00 0.00 0.00 31 F 8.34 4.36 0.00 3.20 3.35 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 32 A 8.64 3.86 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 0.00 0.00 0.00 0.00 0.00 33 T 7.83 3.83 4.42 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 1.16 0.00 0.00 34 F 7.88 4.34 0.00 3.09 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 35 Y 8.13 3.46 0.00 2.56 2.79 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 36 K 7.86 4.49 0.00 1.80 1.84 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.53 7.81 37 F 7.60 4.52 0.00 2.86 3.05 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 0.00 0.00 0.00 38 A 7.85 3.27 0.49 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 0.00 0.00 39 V 7.31 3.78 0.76 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 0.67 0.00 0.00 0.37 0.00 0.00 40 A 7.25 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 41 E 7.89 3.85 0.00 1.88 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 2.54 2.33 0.00 42 K 7.25 3.66 0.00 1.34 1.76 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.24 7.81 43 R 8.07 3.92 0.00 1.98 2.06 0.00 3.15 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 44 K 8.15 4.03 0.00 1.85 1.86 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.69 7.81 45 K 8.53 3.99 0.00 1.85 1.80 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.46 7.81 46 A 8.03 4.07 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 47 Y 8.07 3.69 0.00 3.08 3.19 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 0.00 48 A 8.12 4.17 1.40 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 0.00 0.00 49 D 8.73 4.47 0.00 2.77 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 50 F 8.09 3.97 0.00 2.81 2.79 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 51 Y 8.08 4.56 0.00 3.14 3.02 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 0.00 52 R 7.75 4.14 0.00 2.06 1.98 0.00 3.23 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 53 N 7.76 5.02 0.00 2.69 2.75 0.00 0.00 6.85 7.46 0.00 0.00 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 Y 8.05 4.02 0.00 2.78 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 55 D 7.99 4.49 0.00 2.60 2.36 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 56 S 7.91 3.66 0.00 4.14 4.13 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 0.00 0.00 0.00 0.00 57 M 7.97 4.17 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 58 K 8.05 3.90 0.00 1.92 1.86 0.00 1.60 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 D 8.11 4.39 0.00 2.90 2.90 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 60 F 8.62 4.37 0.00 3.16 3.38 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 61 E 8.42 3.55 0.00 2.44 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 2.33 2.38 0.00 62 E 7.96 3.92 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 2.32 2.33 0.00 63 M 7.96 4.00 0.00 1.61 2.32 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.43 0.00 64 R 8.21 3.98 0.00 1.11 1.68 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 65 K 8.12 4.01 0.00 1.74 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 66 A 7.59 4.27 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 67 G 7.82 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.41 3.79 1.56 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.71 0.00 0.00 69 F 7.62 5.09 0.00 3.34 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 70 Q 8.86 4.37 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 71 S 8.12 4.33 0.00 3.96 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 72 A 7.82 4.54 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 73 K 8.72 4.25 0.00 1.79 1.75 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.40 7.81