NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9452 8.3549 109.7368 44.6215 0.0000 174.2857 2 S 4.2158 8.5290 114.2523 55.6681 66.8766 172.2346 3 S 4.3944 8.7271 121.0985 56.5827 63.3979 170.0554 4 G 3.8802 8.5140 121.2458 44.6268 0.0000 171.7398 5 S 4.3753 8.3593 116.5971 56.6957 62.5001 173.8379 6 S 3.6694 8.5482 125.4993 58.8429 60.6581 171.1070 7 G 4.2007 7.6604 106.3054 43.8895 0.0000 171.9208 8 S 4.7326 8.3283 113.3394 56.8521 64.1795 173.1486 9 E 4.6220 8.3565 121.4076 56.4324 29.8722 175.8091 10 D 5.0088 7.9171 114.4265 54.1454 41.3223 175.5822 11 E 4.9511 8.1090 116.1768 54.5220 31.7657 176.3819 12 W 4.7899 8.9899 121.0389 55.8505 30.0911 175.2773 13 Q 4.4240 8.8971 124.5585 55.9187 29.6927 174.9473 14 C 4.5022 8.1055 125.7080 59.4773 32.7904 173.6188 15 T 4.2843 8.5330 115.1303 63.0758 67.8378 175.0179 16 E 4.2344 7.7208 120.7659 58.4257 30.1708 177.3264 17 C 4.1691 7.8221 115.5544 58.6696 30.8414 173.5188 18 K 4.2861 7.8529 117.3048 57.4297 28.1896 175.0643 19 K 4.2952 7.2376 118.5453 54.1062 35.4313 175.3960 20 F 4.6629 8.0136 125.0063 58.0005 39.7568 174.3352 21 N 5.0390 8.3983 118.1848 51.3417 42.1392 174.1390 22 S 4.6453 8.9849 117.2283 58.8881 63.6761 174.0841 23 P 4.4916 0.0000 0.0000 66.1724 31.6179 177.4195 24 S 4.1898 8.4277 112.6224 60.7460 62.1755 174.8973 25 K 4.2919 7.3826 117.3054 56.8235 31.5095 176.3712 26 R 4.1108 8.6561 117.7393 58.0000 31.8935 176.4862 27 Y 4.4201 7.9310 113.2633 57.1774 39.1847 174.7237 28 C 4.6165 8.7338 122.9181 58.5025 31.5949 174.1244 29 F 4.5485 9.0128 128.8611 59.5543 39.3924 175.6581 30 R 4.0248 8.0870 119.7572 59.0631 30.3088 176.5748 31 C 4.8326 7.8365 108.0041 56.5418 30.2565 173.2532 32 W 3.7459 8.7773 117.9327 58.0820 27.2917 173.8405 33 A 4.9304 8.0412 118.5745 50.0681 21.0056 176.4624 34 L 4.3576 8.6584 125.6648 54.0355 42.9455 176.7202 35 R 4.1537 7.6505 120.7961 56.6876 29.8004 176.7898 36 K 4.4735 8.6565 121.4227 55.4638 33.8345 175.3526 37 D 4.6419 8.3199 118.5486 52.1878 44.1764 174.1626 38 W 4.9055 7.8849 122.3515 54.9629 30.2537 174.7642 39 Y 4.3154 9.0308 123.9512 59.4344 39.0581 176.0541 40 S 3.7226 8.1812 112.1660 58.6579 60.0862 172.1952 41 D 4.0605 8.2194 117.8580 55.4778 41.6367 174.4745 42 C 4.6443 8.6811 121.6709 60.8008 30.7167 173.9606 43 S 4.7625 7.7186 110.2065 56.2154 65.9083 172.6893 44 K 4.4974 8.2504 119.3088 54.6844 34.3981 176.3214 45 L 4.1377 8.3006 124.4007 54.4424 40.6259 176.6866 46 T 3.8375 8.3422 120.8433 64.3602 67.4873 173.5545 47 H 5.0129 7.5918 117.8913 54.6330 30.4316 174.1546 48 S 4.5756 8.7155 115.4919 59.8669 64.8112 175.0927 49 G 3.4614 7.8263 109.8977 46.1593 0.0000 174.4927 50 P 4.5327 0.0000 0.0000 62.1202 33.4372 175.9966 51 S 4.4857 8.1358 111.7421 57.3755 64.9874 174.0521 52 S 4.6764 8.6586 122.4538 57.0912 64.7875 174.2957 53 G 3.7175 8.2712 108.4325 45.7876 0.0000 172.6315 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 G 8.35 3.95 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 2 S 8.53 4.22 0.00 3.89 3.73 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 3 S 8.73 4.39 0.00 3.78 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 4 G 8.51 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 0.00 0.00 0.00 5 S 8.36 4.38 0.00 3.81 3.79 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 6 S 8.55 3.67 0.00 3.94 3.91 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 7 G 7.66 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 0.00 0.00 0.00 0.00 8 S 8.33 4.73 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.62 0.00 1.89 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 2.12 2.18 0.00 10 D 7.92 5.01 0.00 2.65 2.64 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 0.00 0.00 0.00 0.00 11 E 8.11 4.95 0.00 1.81 2.02 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 2.28 2.28 0.00 12 W 8.99 4.79 0.00 3.61 3.23 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 13 Q 8.90 4.42 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 14 C 8.11 4.50 0.00 2.90 2.81 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 15 T 8.53 4.28 4.34 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 0.00 0.00 0.00 1.32 0.00 0.00 16 E 7.72 4.23 0.00 2.03 1.93 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 2.36 2.39 0.00 17 C 7.82 4.17 0.00 3.02 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.85 4.29 0.00 1.82 1.83 0.00 1.72 0.00 0.00 2.49 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.28 1.26 7.81 19 K 7.24 4.30 0.00 1.69 1.46 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.38 7.81 20 F 8.01 4.66 0.00 2.95 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 21 N 8.40 5.04 0.00 1.47 2.58 0.00 0.00 6.15 6.73 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 22 S 8.98 4.65 0.00 3.91 3.90 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 23 P 0.00 4.49 0.00 2.23 2.43 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 24 S 8.43 4.19 0.00 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.38 4.29 0.00 2.34 1.92 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.52 7.81 26 R 8.66 4.11 0.00 1.92 1.65 0.00 3.16 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 27 Y 7.93 4.42 0.00 2.81 2.84 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 28 C 8.73 4.62 0.00 3.33 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.01 4.55 0.00 3.08 3.14 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 0.00 0.00 0.00 0.00 30 R 8.09 4.02 0.00 1.78 1.89 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 31 C 7.84 4.83 0.00 3.11 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 32 W 8.78 3.75 0.00 3.30 3.42 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 0.00 33 A 8.04 4.93 1.35 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 0.00 0.00 34 L 8.66 4.36 0.00 1.09 1.41 -0.25 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.65 4.15 0.00 1.81 1.61 0.00 2.70 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 36 K 8.66 4.47 0.00 1.91 1.91 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 37 D 8.32 4.64 0.00 2.40 2.37 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 38 W 7.88 4.91 0.00 3.44 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.03 4.32 0.00 2.83 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 40 S 8.18 3.72 0.00 4.09 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 41 D 8.22 4.06 0.00 2.91 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 42 C 8.68 4.64 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.72 4.76 0.00 3.89 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 44 K 8.25 4.50 0.00 1.86 1.82 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.28 1.32 7.81 45 L 8.30 4.14 0.00 1.76 1.64 0.93 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 46 T 8.34 3.84 4.19 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 1.03 0.00 0.00 47 H 7.59 5.01 0.00 3.12 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.72 4.58 0.00 3.94 3.95 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 G 7.83 3.46 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 50 P 0.00 4.53 0.00 2.12 2.07 0.00 3.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 51 S 8.14 4.49 0.00 3.80 3.73 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 52 S 8.66 4.68 0.00 4.04 3.90 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 53 G 8.27 3.72 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 0.00 0.00 0.00