NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5063 8.2893 120.3268 55.1602 33.0906 173.1182 2 K 4.2644 8.2763 121.6543 56.4988 34.6220 176.8977 3 S 4.4272 8.5779 118.5922 58.2204 68.4268 174.1199 4 T 3.2134 9.2157 115.1738 64.3711 64.3028 171.9761 5 G 3.7644 8.2517 111.8135 46.2457 0.0000 170.6296 6 I 4.3517 7.6344 118.7882 58.5190 39.7325 174.7931 7 V 4.0499 8.2450 127.2336 61.0058 32.3300 175.4141 8 R 4.7978 8.2268 122.4192 54.0158 33.2466 175.4246 9 K 4.2762 8.4250 120.1702 56.6418 34.1279 179.3063 10 V 3.5529 8.4391 125.9778 63.5543 30.6492 175.6668 11 D 4.3459 9.3929 124.1306 53.6401 43.9691 174.9016 12 E 4.7989 7.1633 121.8081 57.1615 37.4300 176.5339 13 L 4.1174 8.2612 123.5498 55.7294 41.4044 179.2857 14 G 4.9458 7.8456 119.3522 46.3043 0.0000 171.2844 15 R 3.8304 7.8849 120.0016 56.9426 29.5602 175.3028 16 V 4.2299 7.9533 124.9193 60.1484 33.3952 176.3803 17 V 3.8715 7.7404 124.7033 62.4197 31.2455 175.3948 18 I 3.9797 8.2129 129.4496 60.1715 37.8442 174.5710 19 P 4.1990 0.0000 0.0000 63.0899 32.0123 177.0429 20 I 3.6891 8.5394 121.6631 64.2351 37.8314 177.9778 21 E 4.0384 8.1298 117.8004 58.7351 29.6356 179.0158 22 L 4.0339 7.6568 120.0802 57.6054 41.9977 179.1679 23 R 3.9699 8.1131 116.0999 59.1993 29.3923 178.7912 24 R 3.8617 8.2093 119.5274 59.6005 29.8354 178.6036 25 T 3.9054 7.7067 114.5851 66.3801 68.5613 175.8998 26 L 4.3666 7.7786 118.4320 54.2670 41.9822 177.3602 27 G 3.9154 7.5807 106.3672 46.2527 0.0000 173.5081 28 I 4.5305 7.3685 112.1771 58.7051 40.1338 174.3898 29 A 4.1893 8.4451 120.9174 52.5804 22.6161 180.0416 30 E 3.3792 8.9313 115.1800 57.8584 32.0727 175.9102 31 K 4.1691 8.4294 120.7204 56.6333 33.2260 176.8988 32 D 4.6923 8.1822 120.0514 53.5698 42.0487 174.9056 33 A 4.9093 8.2517 120.2996 50.3073 22.4275 175.1243 34 L 5.1705 8.4636 118.4867 52.9836 45.6102 176.3835 35 E 4.5469 9.5993 124.1215 55.0702 30.4091 174.3090 36 I 4.7801 8.2330 127.9993 60.4480 38.4005 174.7369 37 Y 5.1065 9.6531 128.4722 55.6180 42.7823 174.0714 38 V 4.3013 7.1608 121.2266 59.7330 34.1278 175.4518 39 D 4.3619 8.6478 123.0364 52.8643 40.4203 174.2512 40 D 4.4634 7.6526 119.5854 52.9469 41.7571 173.0592 41 E 4.5620 8.0577 117.1015 55.7062 31.1527 175.5134 42 K 4.6361 8.0553 118.6976 55.7841 36.0389 174.4047 43 I 4.6474 8.0626 119.2721 59.6291 39.3444 175.7738 44 I 4.5876 9.1075 127.2821 59.5036 39.7750 174.4343 45 L 5.1517 8.5793 127.6686 53.8447 42.3730 176.0934 46 K 4.7020 8.8070 125.5226 53.9572 34.9833 175.4176 47 K 4.4973 8.4641 122.4548 56.7299 33.3218 176.1767 48 Y 4.3155 8.6340 124.5537 57.4083 39.5602 175.6011 49 K 3.8155 7.6713 128.2677 55.3894 32.0730 174.6870 50 P 4.3528 0.0000 0.0000 62.6278 31.7184 176.8113 51 N 4.5664 8.4723 124.1022 51.9152 37.3502 171.8945 52 M 4.6524 7.8985 118.9343 53.1571 34.7715 175.9783 53 T 4.1432 8.4939 117.2323 62.0964 67.6610 173.5387 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 8.29 4.51 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 K 8.28 4.26 0.00 2.26 1.65 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.53 7.81 3 S 8.58 4.43 0.00 3.83 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 4 T 9.22 3.21 4.24 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 1.21 0.00 0.00 5 G 8.25 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 6 I 7.63 4.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.99 0.00 0.00 7 V 8.24 4.05 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 0.79 0.00 0.00 0.93 0.00 0.00 8 R 8.23 4.80 0.00 1.65 1.83 0.00 3.25 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 9 K 8.43 4.28 0.00 1.68 1.72 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.38 7.81 10 V 8.44 3.55 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 0.73 0.00 0.00 0.93 0.00 0.00 11 D 9.39 4.35 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.16 4.80 0.00 2.06 1.80 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 2.17 2.27 0.00 13 L 8.26 4.12 0.00 1.77 1.84 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.85 4.95 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 0.00 0.00 0.00 15 R 7.88 3.83 0.00 1.87 1.92 0.00 3.22 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 V 7.95 4.23 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 0.83 0.00 0.00 0.99 0.00 0.00 17 V 7.74 3.87 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 0.71 0.00 0.00 0.93 0.00 0.00 18 I 8.21 3.98 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.93 0.92 0.00 0.00 19 P 0.00 4.20 0.00 2.17 2.01 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 20 I 8.54 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.35 0.91 0.00 0.00 21 E 8.13 4.04 0.00 2.24 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 0.00 2.36 2.40 0.00 22 L 7.66 4.03 0.00 1.91 1.75 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.11 3.97 0.00 2.24 2.20 0.00 2.78 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 24 R 8.21 3.86 0.00 2.08 2.07 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 25 T 7.71 3.91 4.44 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 1.22 0.00 0.00 26 L 7.78 4.37 0.00 1.66 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.58 3.92 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 0.00 0.00 0.00 28 I 7.37 4.53 1.89 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 1.25 0.75 0.97 0.00 0.00 29 A 8.45 4.19 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 30 E 8.93 3.38 0.00 2.16 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 2.21 2.32 0.00 31 K 8.43 4.17 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.40 7.81 32 D 8.18 4.69 0.00 2.88 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 33 A 8.25 4.91 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.46 5.17 0.00 1.50 1.71 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.60 4.55 0.00 2.15 1.95 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 2.37 2.64 0.00 36 I 8.23 4.78 1.90 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 1.24 0.59 0.93 0.00 0.00 37 Y 9.65 5.11 0.00 2.97 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 38 V 7.16 4.30 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 0.65 0.00 0.00 0.82 0.00 0.00 39 D 8.65 4.36 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.65 4.46 0.00 2.77 2.52 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 41 E 8.06 4.56 0.00 2.05 1.99 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 2.16 2.30 0.00 42 K 8.06 4.64 0.00 1.88 1.89 0.00 1.28 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.38 7.81 43 I 8.06 4.65 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.60 0.90 0.00 0.00 44 I 9.11 4.59 2.30 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.55 1.07 0.00 0.00 45 L 8.58 5.15 0.00 1.61 1.67 0.94 0.47 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 46 K 8.81 4.70 0.00 1.89 1.74 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.37 7.81 47 K 8.46 4.50 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.45 7.81 48 Y 8.63 4.32 0.00 2.90 2.95 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 49 K 7.67 3.82 0.00 1.57 1.36 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.39 7.81 50 P 0.00 4.35 0.00 2.21 2.06 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 51 N 8.47 4.57 0.00 2.67 2.79 0.00 0.00 7.02 7.64 0.00 0.00 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 M 7.90 4.65 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 53 T 8.49 4.14 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 1.21 0.00 0.00