NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2431 8.1633 120.3374 54.8386 32.9563 174.4601 2 K 4.1010 8.7038 126.2892 57.5453 31.2707 175.7514 3 G 4.6575 9.4768 123.5529 48.2158 0.0000 174.9729 4 M 2.6423 7.7032 113.4510 54.2310 34.7379 178.6612 5 S 3.9769 9.0177 113.2432 61.6751 63.9814 175.6436 6 K 4.1806 8.0854 118.7298 57.3524 32.3227 176.1576 7 M 4.5605 8.1639 118.6832 53.2066 33.4809 174.2174 8 P 4.4654 0.0000 0.0000 63.0273 31.9568 175.2893 9 Q 4.7501 8.3562 116.2932 54.1773 31.0415 174.5234 10 F 4.6996 8.5264 121.2712 56.2065 41.6952 174.0261 11 N 4.3932 7.6234 126.4685 52.6393 39.4781 173.8807 12 L 4.6616 8.0128 124.8335 53.0563 44.3827 176.8498 13 R 4.3168 8.2177 120.4629 54.9704 31.9877 174.0291 14 W 5.2051 8.2619 121.8502 53.7297 32.9797 173.6755 15 P 4.5580 0.0000 0.0000 62.3145 31.4081 177.2978 16 R 3.8908 8.5975 120.5675 60.1955 29.7975 178.7896 17 E 4.1576 8.3089 117.5959 59.4036 29.3779 179.7574 18 V 3.8089 7.9404 118.2911 65.5328 31.8681 177.6395 19 L 4.1256 8.0942 118.1582 58.0975 41.4753 178.5655 20 D 4.3805 8.6415 117.9568 57.6334 41.0202 178.3574 21 L 3.9468 7.6043 120.2248 58.3446 42.1402 179.0655 22 V 3.6565 8.5712 118.5627 66.2711 31.3077 177.8922 23 R 3.9013 8.6987 118.2183 58.7600 29.9559 178.4329 24 K 3.8563 8.5051 119.5361 60.0027 31.9984 178.6444 25 V 3.5684 7.7822 116.5918 65.9715 31.7347 177.5009 26 A 4.3576 7.9142 121.5482 54.6442 18.0570 178.8018 27 E 3.8518 8.5428 116.6219 59.4015 30.5048 179.6541 28 E 4.3609 8.5454 118.7761 55.3123 28.0832 175.3533 29 N 4.6313 8.1437 116.4455 52.6967 45.7800 173.9747 30 G 3.6262 9.2678 106.8785 44.3903 0.0000 172.5063 31 R 4.4801 7.1544 117.5216 54.3588 34.5793 175.8049 32 S 4.3520 8.1619 115.6294 58.1377 65.2486 175.4812 33 V 3.5755 8.3939 123.0402 66.1690 31.2191 177.4778 34 N 4.1406 8.2523 116.1867 57.3978 38.5469 176.6588 35 S 4.1049 7.8528 116.0508 61.4068 62.4773 176.1811 36 E 4.3025 8.2119 123.3660 58.7681 29.2650 179.0345 37 I 3.8015 7.9499 119.5534 64.5482 37.2323 177.6827 38 Y 3.9909 8.2528 120.6059 60.6621 38.4789 178.1099 39 Q 4.0722 9.2064 119.6487 59.5264 28.6710 178.4423 40 R 3.9390 7.7837 120.1645 58.9463 30.0677 178.7910 41 V 3.3259 7.8011 117.6848 66.4554 31.2871 177.9065 42 M 3.8133 7.5274 117.8941 58.5462 31.4389 178.6610 43 E 4.1729 8.2309 118.3824 58.7880 29.3958 179.3333 44 S 3.9843 7.8917 113.8513 60.8258 63.3122 176.3060 45 F 4.6861 7.8862 121.5658 60.4619 38.7801 177.9836 46 K 3.5717 8.3738 116.5970 58.5095 32.0149 177.7027 47 K 4.4934 7.5960 120.9104 57.1081 33.0883 177.9175 48 E 4.8629 8.1875 123.7463 56.9274 33.0289 179.8726 49 G 3.8408 9.8293 107.8549 45.7003 0.0000 174.0998 50 R 3.6789 7.2899 122.8423 56.3359 29.8407 175.6833 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 M 8.16 4.24 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 2 K 8.70 4.10 0.00 1.84 1.77 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 G 9.48 4.66 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 0.00 0.00 0.00 4 M 7.70 2.64 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 5 S 9.02 3.98 0.00 3.89 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 0.00 6 K 8.09 4.18 0.00 1.71 1.81 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 7 M 8.16 4.56 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 8 P 0.00 4.47 0.00 2.23 2.10 0.00 3.73 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 2.03 2.00 0.00 9 Q 8.36 4.75 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 10 F 8.53 4.70 0.00 2.97 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 11 N 7.62 4.39 0.00 2.46 2.33 0.00 0.00 6.98 7.78 0.00 0.00 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 8.01 4.66 0.00 1.29 0.84 1.27 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.22 4.32 0.00 1.78 1.86 0.00 3.13 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 14 W 8.26 5.21 0.00 3.35 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.56 0.00 2.22 2.00 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 16 R 8.60 3.89 0.00 1.87 2.00 0.00 3.17 0.00 0.00 3.35 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 17 E 8.31 4.16 0.00 2.06 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 2.42 2.48 0.00 18 V 7.94 3.81 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 19 L 8.09 4.13 0.00 1.96 1.76 1.13 0.88 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 20 D 8.64 4.38 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.95 0.00 2.01 1.81 0.93 0.90 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 22 V 8.57 3.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.18 0.00 0.00 23 R 8.70 3.90 0.00 2.05 1.94 0.00 3.23 0.00 0.00 3.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 24 K 8.51 3.86 0.00 1.77 2.00 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.65 7.81 25 V 7.78 3.57 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 0.92 0.00 0.00 0.98 0.00 0.00 26 A 7.91 4.36 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.54 3.85 0.00 1.92 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 2.33 2.39 0.00 28 E 8.55 4.36 0.00 1.95 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 2.35 0.00 29 N 8.14 4.63 0.00 3.09 2.78 0.00 0.00 7.24 7.65 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 30 G 9.27 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.15 4.48 0.00 1.76 1.79 0.00 3.15 0.00 0.00 3.47 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 32 S 8.16 4.35 0.00 4.02 3.97 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 0.00 0.00 0.00 33 V 8.39 3.58 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 1.02 0.00 0.00 0.94 0.00 0.00 34 N 8.25 4.14 0.00 2.84 2.80 0.00 0.00 7.22 7.63 0.00 0.00 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 S 7.85 4.10 0.00 3.94 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 36 E 8.21 4.30 0.00 2.12 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 0.00 2.35 2.32 0.00 37 I 7.95 3.80 2.14 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.64 1.05 0.00 0.00 38 Y 8.25 3.99 0.00 3.10 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 39 Q 9.21 4.07 0.00 2.29 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.51 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 40 R 7.78 3.94 0.00 2.17 2.02 0.00 3.51 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 41 V 7.80 3.33 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 0.36 0.00 0.00 0.87 0.00 0.00 42 M 7.53 3.81 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 43 E 8.23 4.17 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 44 S 7.89 3.98 0.00 4.07 3.97 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 0.00 0.00 0.00 45 F 7.89 4.69 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 46 K 8.37 3.57 0.00 1.72 1.91 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.75 1.74 7.81 47 K 7.60 4.49 0.00 1.74 1.84 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 48 E 8.19 4.86 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 49 G 9.83 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 50 R 7.29 3.68 0.00 0.85 1.62 0.00 3.15 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 0.00