NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3152 8.4449 118.7952 56.1758 31.9229 176.5250 4 R 3.9209 7.7971 117.7579 54.5595 31.0942 174.7920 5 P 4.1859 0.0000 0.0000 66.2760 32.2233 178.7191 6 L 3.9511 7.8149 116.6316 57.4968 41.7202 179.0971 7 D 4.3517 8.1194 119.3576 57.1491 40.4889 178.9087 8 V 3.5842 7.5564 117.5707 65.8711 31.9769 177.7153 9 I 3.6700 7.4872 119.5100 64.5666 36.8412 177.8166 10 H 4.1247 7.9776 118.9950 59.3610 29.5043 177.1231 11 R 4.1359 7.7100 117.1334 57.9052 30.2311 177.9772 12 S 4.4530 7.8905 114.5453 57.6513 63.2127 173.9292 13 L 4.1927 6.9743 122.3564 56.5979 41.7497 177.0237 14 D 4.5356 9.5940 122.5153 54.6826 39.1748 173.5272 15 K 4.6668 7.9365 119.1753 54.4206 35.6835 174.7057 16 D 5.1492 8.4165 120.8217 54.2633 42.8099 175.3854 17 V 4.9913 8.9430 117.3861 59.6916 36.9456 173.6942 18 L 5.0520 9.0168 125.2007 53.4073 44.4778 175.2020 19 V 4.7232 8.9581 127.0413 61.3067 33.5891 174.2773 20 I 4.3782 8.7912 130.8745 60.5404 38.4864 175.9111 21 L 4.6961 8.2212 127.3755 53.3819 43.0257 178.3873 22 K 3.9960 8.1586 120.4489 59.6100 32.0327 178.8503 23 K 4.1976 7.6395 115.2999 56.6562 32.1643 177.1379 24 G 4.0784 7.1913 106.0341 44.9317 0.0000 173.3561 25 F 5.1113 7.8848 114.2588 55.1626 41.7283 173.5545 26 E 4.9818 9.0213 117.1362 55.0191 34.5657 174.5150 27 F 5.4820 9.1149 118.5635 55.8816 42.8069 174.7127 28 R 5.0617 8.9390 121.9608 54.5041 33.4598 174.6688 29 G 4.1094 8.1876 111.2237 46.2470 0.0000 171.3996 30 R 4.8287 8.0742 120.8758 54.8672 31.1925 175.5035 31 L 4.6141 8.8281 130.4426 55.4271 42.6355 176.9114 32 I 4.2769 8.4132 119.1200 60.4276 39.2398 175.0513 33 G 4.1279 7.5740 108.9524 46.4065 0.0000 171.4256 34 Y 5.2282 7.6217 117.2736 56.8454 40.4203 172.0514 35 D 4.7685 8.4884 118.2299 51.2317 42.7101 176.1495 36 I 3.7014 8.2944 118.4741 63.8623 37.8279 175.8122 37 H 4.5686 8.3294 115.4363 55.7663 28.7494 175.4180 38 L 3.8176 8.1679 118.5939 55.5129 39.5545 174.1376 39 N 4.8596 8.2153 116.0626 53.4592 39.9072 174.5936 40 V 5.0539 8.8938 115.1776 59.5954 36.7095 174.5179 41 V 4.8267 8.6225 121.3453 61.2057 34.3541 174.3183 42 L 5.3067 9.1469 127.1247 52.8863 45.3773 175.1490 43 A 5.0035 8.7612 123.3405 50.5899 21.8753 176.1266 44 D 4.6586 8.7356 119.7659 55.3602 39.0558 173.1703 45 A 5.0807 8.1200 120.7993 51.1558 22.2758 177.5522 46 E 5.2337 9.3821 118.1290 54.9349 34.1931 174.6815 47 M 4.7930 9.6360 124.5268 54.7942 33.9215 174.7189 48 I 4.9937 9.0361 126.9944 59.6613 40.8552 174.8276 49 Q 4.5713 8.5786 124.2081 54.3578 32.2447 175.1073 50 D 4.6372 9.9276 124.9368 55.2661 38.3089 175.3658 51 G 4.0038 8.7175 108.1540 45.0129 0.0000 173.9049 52 E 4.5498 7.6411 119.2632 53.9703 31.4175 175.4556 53 V 4.0133 8.3491 123.0584 63.4878 31.4846 175.5187 54 V 4.0773 8.5899 128.0786 63.7271 32.3448 175.4524 55 K 4.2685 7.3593 118.5035 56.0029 35.1911 173.6096 56 R 5.1949 8.2530 122.7142 54.6690 33.9030 174.6354 57 Y 4.7015 9.0367 118.5395 56.3578 42.0321 176.7102 58 G 3.7295 9.0575 110.9931 49.0267 0.0000 173.3015 59 K 5.2066 7.8580 119.5159 54.9251 35.5961 175.3100 60 I 4.4739 8.9827 126.5109 59.5303 41.9363 173.3129 61 V 4.6440 8.2281 128.6579 61.3697 32.9474 174.5515 62 I 4.3793 8.6030 129.2200 59.3357 40.0582 175.3890 63 R 4.5416 8.5332 126.2540 55.4724 30.9068 177.8235 64 G 3.7504 9.6505 112.7130 48.6273 0.0000 175.0705 65 D 4.2871 8.1237 118.1197 56.6424 41.4846 176.2832 66 N 4.6826 8.0341 114.5391 53.0345 39.1843 174.5620 67 V 4.1314 7.5633 119.6005 62.1434 32.5373 175.1913 68 L 4.3396 9.2046 130.1083 57.3194 42.6426 176.0870 69 A 4.6419 7.4666 117.5845 51.1873 22.8550 174.7526 70 I 5.0146 8.1776 119.0213 59.6846 40.9140 175.0173 71 S 4.7625 9.2527 122.3321 55.5079 65.0859 171.0613 72 P 4.7996 0.0000 0.0000 62.7000 31.9290 176.4398 73 T 4.1481 8.6036 121.0881 63.7083 67.9546 174.3718 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 E 8.44 4.32 0.00 2.08 2.15 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 2.17 2.33 0.00 4 R 7.80 3.92 0.00 2.08 1.87 0.00 3.15 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 5 P 0.00 4.19 0.00 2.12 2.10 0.00 3.57 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 2.11 2.19 0.00 6 L 7.81 3.95 0.00 1.63 1.69 0.94 1.08 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 7 D 8.12 4.35 0.00 2.89 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 8 V 7.56 3.58 2.15 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 0.83 0.00 0.00 0.93 0.00 0.00 9 I 7.49 3.67 1.31 0.00 0.00 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 1.53 0.79 0.35 0.00 0.00 10 H 7.98 4.12 0.00 3.35 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.71 4.14 0.00 1.84 1.96 0.00 3.21 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 12 S 7.89 4.45 0.00 4.01 3.86 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 13 L 6.97 4.19 0.00 1.59 1.64 0.96 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.59 4.54 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.67 0.00 1.77 1.70 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.48 7.81 16 D 8.42 5.15 0.00 2.82 2.53 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 17 V 8.94 4.99 2.09 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 0.81 0.00 0.00 0.99 0.00 0.00 18 L 9.02 5.05 0.00 1.72 1.64 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.96 4.72 2.24 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 1.04 0.00 0.00 0.96 0.00 0.00 20 I 8.79 4.38 1.84 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 1.21 0.71 0.86 0.00 0.00 21 L 8.22 4.70 0.00 0.97 1.08 0.39 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.16 4.00 0.00 1.69 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.53 7.81 23 K 7.64 4.20 0.00 1.83 2.24 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.54 7.81 24 G 7.19 4.08 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 0.00 0.00 0.00 25 F 7.88 5.11 0.00 3.16 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 26 E 9.02 4.98 0.00 1.92 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 2.20 2.26 0.00 27 F 9.11 5.48 0.00 3.02 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 28 R 8.94 5.06 0.00 1.97 1.80 0.00 3.35 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 29 G 8.19 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 0.00 0.00 0.00 0.00 30 R 8.07 4.83 0.00 1.94 1.96 0.00 3.11 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 L 8.83 4.61 0.00 1.84 1.73 1.05 0.60 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 32 I 8.41 4.28 1.88 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 1.27 0.85 0.98 0.00 0.00 33 G 7.57 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 0.00 0.00 0.00 34 Y 7.62 5.23 0.00 3.01 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 35 D 8.49 4.77 0.00 2.80 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 36 I 8.29 3.70 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.67 0.00 0.00 37 H 8.33 4.57 0.00 3.34 3.31 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.17 3.82 0.00 1.83 1.83 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.22 4.86 0.00 2.98 2.73 0.00 0.00 6.78 7.68 0.00 0.00 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 V 8.89 5.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.89 0.00 0.00 41 V 8.62 4.83 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 1.08 0.00 0.00 0.90 0.00 0.00 42 L 9.15 5.31 0.00 1.49 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.76 5.00 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 44 D 8.74 4.66 0.00 2.78 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 45 A 8.12 5.08 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 46 E 9.38 5.23 0.00 1.95 1.87 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 2.27 2.31 0.00 47 M 9.64 4.79 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 48 I 9.04 4.99 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.93 0.00 0.00 49 Q 8.58 4.57 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.32 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 50 D 9.93 4.64 0.00 2.82 2.75 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 51 G 8.72 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 0.00 0.00 0.00 52 E 7.64 4.55 0.00 2.01 1.84 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 2.23 2.20 0.00 53 V 8.35 4.01 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 0.95 0.00 0.00 54 V 8.59 4.08 2.03 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 0.71 0.00 0.00 0.95 0.00 0.00 55 K 7.36 4.27 0.00 1.79 1.49 0.00 1.43 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.07 0.70 7.81 56 R 8.25 5.19 0.00 1.58 1.73 0.00 3.18 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 57 Y 9.04 4.70 0.00 2.91 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 58 G 9.06 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 0.00 0.00 0.00 59 K 7.86 5.21 0.00 1.74 1.64 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.43 7.81 60 I 8.98 4.47 1.52 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.57 0.58 0.00 0.00 61 V 8.23 4.64 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 0.81 0.00 0.00 0.88 0.00 0.00 62 I 8.60 4.38 1.72 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.21 0.85 0.00 0.00 63 R 8.53 4.54 0.00 1.86 1.84 0.00 3.13 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 64 G 9.65 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 0.00 0.00 0.00 65 D 8.12 4.29 0.00 2.62 2.71 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 66 N 8.03 4.68 0.00 2.83 2.80 0.00 0.00 6.45 6.97 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 67 V 7.56 4.13 2.20 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 0.74 0.00 0.00 0.98 0.00 0.00 68 L 9.20 4.34 0.00 1.60 1.74 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.47 4.64 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 70 I 8.18 5.01 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.93 0.00 0.00 71 S 9.25 4.76 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 2.10 2.03 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 73 T 8.60 4.15 4.47 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 1.24 0.00 0.00