NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2542 8.3149 119.9933 57.0519 33.7364 175.3701 2 D 4.5530 8.2050 118.8199 52.2450 41.5654 174.7475 3 R 4.3291 6.9280 113.7915 54.2593 32.6897 172.4596 4 P 4.2760 0.0000 0.0000 62.4641 32.0586 177.0669 5 D 4.3686 8.6726 120.1908 57.5926 40.7131 179.1029 6 F 4.3708 7.9456 114.2404 59.6822 37.6157 177.8120 7 C 4.6237 7.6966 116.3889 59.2143 40.0022 174.6111 8 E 4.2693 8.0667 118.5288 55.6966 29.8556 176.5108 9 L 4.1972 7.3390 120.3949 53.7112 42.2768 175.4537 10 P 4.3246 0.0000 0.0000 62.0230 31.9595 176.1016 11 A 3.2303 7.8365 123.4150 52.4875 18.4000 176.7603 12 D 4.7639 8.1123 120.9058 52.5845 43.5766 175.6036 13 T 4.4480 8.7876 116.3428 61.8888 69.5098 175.7302 14 G 4.4608 8.8456 112.3321 44.2958 0.0000 171.6308 15 P 4.4984 0.0000 0.0000 63.7683 32.0456 177.0360 16 C 4.6099 7.7172 117.2014 56.0674 36.8955 172.8704 17 R 3.9931 8.5402 121.4571 56.9935 30.8091 175.8482 18 V 3.9438 8.3608 119.4867 61.9512 31.3640 175.9596 19 R 4.4702 8.5986 121.9695 55.1266 33.5861 175.2610 20 F 4.9980 8.4468 118.6283 54.5908 41.9707 173.1759 21 P 4.7618 0.0000 0.0000 63.0208 32.2142 175.5123 22 S 4.8972 8.7154 118.8184 57.2032 68.2498 172.4392 23 F 5.8556 9.6897 118.8582 56.2834 42.6769 174.3725 24 Y 5.6085 9.2453 119.0586 55.5775 41.9690 173.2958 25 Y 4.5420 9.8940 122.9067 57.0216 40.6523 173.5486 26 N 4.8471 8.1462 126.6706 51.1716 39.7744 173.6977 27 P 4.1884 0.0000 0.0000 64.9928 32.0726 177.5126 28 D 4.4381 8.0921 118.6537 56.8515 40.9371 176.9493 29 E 4.1808 8.5475 116.4148 55.6836 30.2344 175.9659 30 K 3.8342 7.5473 117.0992 55.1479 30.3514 174.6819 31 K 4.6552 6.7220 114.4705 55.9785 36.1937 175.8781 32 C 5.0725 8.7032 119.3458 56.4488 42.5012 173.0930 33 L 5.0644 8.8465 123.1091 52.5410 45.2763 175.6737 34 E 4.1660 8.9564 123.6234 56.2673 30.5436 175.4389 35 F 5.1619 9.4791 120.5785 55.6506 42.5080 172.8419 36 I 4.5954 8.3714 119.5028 59.9331 38.2384 174.8791 37 Y 4.7790 8.9658 128.7371 55.7297 41.1244 176.4471 38 G 3.8369 7.8718 111.4403 46.4855 0.0000 174.6210 39 G 3.5468 6.0415 108.4993 44.4102 0.0000 172.4148 40 C 4.9721 6.9082 113.4116 54.3804 45.1342 173.6210 41 E 3.5266 9.6471 121.1700 59.6958 28.1041 174.6905 42 G 4.0202 9.2644 112.8060 46.0622 0.0000 169.9427 43 N 5.0060 8.1963 118.3467 50.7331 40.5687 174.2006 44 A 3.7637 8.3305 119.6069 54.3371 18.7709 177.8732 45 N 4.9473 7.9712 116.7325 51.5930 36.7650 173.4349 46 N 4.9988 6.7067 116.9531 52.6061 42.0122 173.4906 47 F 5.0247 9.5474 124.9865 55.8167 43.0003 176.5794 48 I 3.9529 8.8958 122.6100 63.8387 37.6717 176.9981 49 T 4.6820 7.5274 109.0927 58.6998 72.9554 174.8009 50 K 3.1754 7.1464 122.2267 59.3823 32.1661 178.6714 51 E 3.8144 7.8816 118.3006 59.6709 29.3823 179.2029 52 E 3.9144 7.9463 117.9246 59.3326 29.4194 178.5021 53 C 2.4500 7.7048 118.3318 59.1950 43.3433 175.6221 54 E 3.7139 8.1034 120.2562 59.2033 28.7590 179.5266 55 S 4.0290 7.7454 114.5415 61.8786 62.9823 176.5999 56 T 4.0577 7.4482 117.0867 66.1354 68.4374 175.5497 57 C 4.1699 7.8977 114.8098 55.3537 40.7933 173.7606 58 A 3.9838 7.5629 129.2755 52.6031 18.8704 177.2012 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 K 8.31 4.25 0.00 1.84 1.86 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.43 7.81 2 D 8.20 4.55 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.93 4.33 0.00 1.54 1.66 0.00 2.99 0.00 0.00 2.83 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 0.00 4 P 0.00 4.28 0.00 1.30 2.00 0.00 3.47 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 1.05 1.62 0.00 5 D 8.67 4.37 0.00 2.82 2.80 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 6 F 7.95 4.37 0.00 3.27 3.33 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 7 C 7.70 4.62 0.00 2.92 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 8 E 8.07 4.27 0.00 2.09 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 2.38 2.36 0.00 9 L 7.34 4.20 0.00 1.83 1.65 1.02 1.09 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 10 P 0.00 4.32 0.00 1.99 1.95 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 11 A 7.84 3.23 -0.25 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 12 D 8.11 4.76 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.79 4.45 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 1.44 0.00 0.00 14 G 8.85 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.50 0.00 2.18 2.18 0.00 3.94 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 1.94 2.12 0.00 16 C 7.72 4.61 0.00 2.81 3.01 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 17 R 8.54 3.99 0.00 1.86 1.77 0.00 3.14 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 18 V 8.36 3.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 19 R 8.60 4.47 0.00 1.08 1.29 0.00 3.05 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.58 0.00 20 F 8.45 5.00 0.00 3.04 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 21 P 0.00 4.76 0.00 2.05 2.03 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 22 S 8.72 4.90 0.00 3.07 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 23 F 9.69 5.86 0.00 3.18 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 24 Y 9.25 5.61 0.00 3.23 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 25 Y 9.89 4.54 0.00 3.05 3.13 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 26 N 8.15 4.85 0.00 2.25 2.38 0.00 0.00 6.57 7.29 0.00 0.00 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 P 0.00 4.19 0.00 2.26 2.34 0.00 3.77 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 2.05 0.00 28 D 8.09 4.44 0.00 2.81 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 29 E 8.55 4.18 0.00 1.76 1.89 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 2.33 2.35 0.00 30 K 7.55 3.83 0.00 1.89 1.91 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 31 K 6.72 4.66 0.00 1.74 1.79 0.00 1.43 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.36 7.81 32 C 8.70 5.07 0.00 2.87 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 33 L 8.85 5.06 0.00 0.99 1.48 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.96 4.17 0.00 1.84 1.81 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 2.10 1.78 0.00 35 F 9.48 5.16 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 36 I 8.37 4.60 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.94 0.00 0.00 37 Y 8.97 4.78 0.00 2.09 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 38 G 7.87 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 39 G 6.04 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.91 4.97 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 9.65 3.53 0.00 2.17 1.71 0.00 0.00 0.00 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 2.29 0.00 42 G 9.26 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 43 N 8.20 5.01 0.00 2.75 2.79 0.00 0.00 5.83 7.26 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 44 A 8.33 3.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.97 4.95 0.00 3.23 3.00 0.00 0.00 6.88 7.95 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 46 N 6.71 5.00 0.00 2.63 2.38 0.00 0.00 7.08 7.02 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 47 F 9.55 5.02 0.00 3.16 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 48 I 8.90 3.95 2.14 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 1.55 0.79 1.01 0.00 0.00 49 T 7.53 4.68 4.11 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 1.25 0.00 0.00 50 K 7.15 3.18 0.00 0.79 1.40 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.31 1.33 7.81 51 E 7.88 3.81 0.00 1.92 1.92 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 2.32 2.30 0.00 52 E 7.95 3.91 0.00 2.26 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 0.00 2.36 2.32 0.00 53 C 7.70 2.45 0.00 2.78 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 54 E 8.10 3.71 0.00 2.04 1.88 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 2.27 2.38 0.00 55 S 7.75 4.03 0.00 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.45 4.06 4.11 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 1.50 0.00 0.00 57 C 7.90 4.17 0.00 2.60 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 0.00 0.00 0.00 58 A 7.56 3.98 1.19 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 0.00 0.00