NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3113 8.2644 123.5786 52.1828 19.2326 175.8878 1 M 4.5539 8.4305 121.6017 52.7307 35.4091 172.9385 2 D 4.8309 9.1795 125.1468 51.8144 46.2376 175.8775 3 S 4.1528 8.6598 122.5956 61.8871 62.9271 176.6301 4 N 4.3671 8.2178 118.7005 56.4513 38.2979 177.5102 5 T 3.9137 8.2861 117.2930 66.8482 68.5608 176.7292 6 M 4.1365 8.0089 120.4308 58.5133 32.0285 178.9786 7 S 4.6932 8.2533 116.8247 61.3895 63.0563 177.0300 8 S 4.2125 8.5336 118.1931 61.3825 62.4451 176.6108 9 F 4.2750 8.3679 123.4231 61.4377 39.2232 177.1301 10 Q 3.9510 8.2698 117.6690 58.9908 28.4512 179.2011 11 V 3.6776 7.8422 119.0426 66.2126 31.5559 177.6740 12 D 4.3908 8.1886 118.5946 57.5726 40.6505 178.6829 13 C 4.0164 8.0347 117.1993 62.8673 28.1438 175.9856 14 F 4.3930 8.2698 122.1253 61.4297 38.9596 177.1689 15 L 3.8165 8.3734 118.8875 57.1401 41.2786 179.2453 16 W 3.8835 8.4986 128.9190 60.3876 30.6372 177.3883 17 H 4.0971 8.5046 118.3085 59.4080 29.2803 177.2099 18 I 3.4647 7.2802 121.3417 64.4312 36.8230 178.6577 19 R 4.0628 7.6479 118.8228 58.9587 29.7330 179.0364 20 K 3.4900 7.5004 119.6819 59.5113 31.8843 179.1049 21 R 3.8375 7.4759 116.8391 59.0406 30.0762 178.6284 22 F 4.2147 8.2670 120.3314 61.2402 39.3520 177.1152 23 A 3.8638 8.3745 120.6280 55.2454 17.9461 179.2568 24 D 4.2717 8.1864 116.8678 57.3050 40.9112 177.8875 25 N 4.6161 7.5140 114.2132 52.4101 38.7938 175.0290 26 G 3.7541 7.9221 108.5211 46.9975 0.0000 174.7063 27 L 4.1711 7.3712 118.1531 53.7856 43.1291 177.4398 28 G 3.7159 7.2792 107.7468 44.7809 0.0000 173.7601 29 D 4.7349 8.3189 121.5250 51.5630 42.7165 177.3643 30 A 4.0339 8.4116 120.2720 55.1667 18.2461 178.0157 31 P 4.2664 0.0000 0.0000 65.4251 31.3996 178.5903 32 F 4.0236 8.6447 119.7278 61.4399 39.3630 177.2926 33 L 4.1354 8.1003 118.1179 57.6135 41.3808 179.0099 34 D 4.3498 8.2237 118.2488 57.4349 41.2116 178.5546 35 R 3.9192 8.1435 118.7281 58.9786 30.0317 178.6799 36 L 3.9810 7.7723 120.2316 58.1419 41.9206 179.1211 37 R 4.0084 8.1368 118.4863 59.6375 30.0942 178.7252 38 R 3.9597 8.0728 117.8612 59.4587 30.0392 178.8847 39 D 4.4893 8.7328 120.4413 56.6958 40.8093 178.5534 40 Q 3.2031 8.2931 120.2741 58.6948 29.0482 178.3141 41 K 3.9099 7.7833 121.0866 59.4874 31.7795 179.0552 42 S 4.1622 8.0592 114.6576 61.3399 62.8964 176.4198 43 L 4.1353 8.3000 123.0624 57.4022 41.3832 179.5166 44 K 4.0171 8.0905 118.5836 59.4702 31.9970 179.5869 45 G 3.5846 7.9576 105.6692 47.8540 0.0000 175.9286 46 R 3.9333 8.5134 121.2479 58.8796 30.1079 179.3565 47 G 3.2226 8.3296 105.7858 47.5111 0.0000 175.2382 48 N 4.2302 7.9835 119.0961 56.8119 38.8172 177.0481 49 T 3.8972 7.6240 115.6844 66.7260 68.6532 176.2816 50 L 4.1212 7.7167 119.1229 55.1151 41.7013 177.7681 51 G 3.8130 7.4567 104.8825 46.1273 0.0000 172.9149 52 L 4.7111 7.4374 118.8598 52.0625 44.2087 176.7193 53 D 4.5530 8.5824 122.6106 53.9718 42.7435 177.0518 54 I 3.7645 8.4961 127.6736 64.4972 37.0041 178.2370 55 E 3.9850 8.3299 118.8381 59.9839 29.4199 179.5580 56 T 3.9105 8.4992 115.4727 66.5153 68.4438 176.7128 57 A 4.0690 8.1344 122.7694 55.4525 18.3537 179.8337 58 T 3.8838 8.1995 114.4441 66.9289 68.4624 176.9250 59 L 3.9721 7.6651 120.7277 57.5901 41.5709 179.8354 60 V 3.6304 7.9999 118.4838 65.8497 31.4393 178.1904 61 G 3.7105 8.3722 105.9384 47.7326 0.0000 175.3327 62 K 2.4800 7.6129 121.8133 58.8612 32.0537 178.9165 63 Q 3.9399 7.5561 117.9467 58.8207 28.5925 178.8273 64 I 3.7272 7.8288 120.8658 64.4090 37.2249 178.5787 65 V 3.6793 7.9406 119.1755 66.1763 31.4585 177.8440 66 E 3.9931 8.3393 118.3578 59.1382 29.2036 179.2000 67 W 3.9920 8.3320 128.4001 60.3565 30.7735 178.0930 68 I 4.0800 7.8687 121.0261 64.1164 36.4579 178.5884 69 L 4.0674 7.9332 117.9029 56.7180 41.3938 178.7712 70 K 4.2491 7.5473 116.7152 57.6138 33.4045 177.1776 71 E 4.0449 7.5636 115.2123 56.2076 30.0558 176.1469 72 E 4.1911 8.0206 124.7561 56.4770 30.6045 175.1862 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 0 A 8.26 4.31 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.43 4.55 0.00 1.99 1.87 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 2.44 2.57 0.00 2 D 9.18 4.83 0.00 2.75 2.42 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 3 S 8.66 4.15 0.00 3.90 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 4 N 8.22 4.37 0.00 3.00 2.88 0.00 0.00 7.14 7.05 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 5 T 8.29 3.91 4.42 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 1.20 0.00 0.00 6 M 8.01 4.14 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 7 S 8.25 4.69 0.00 4.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.21 0.00 4.09 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 9 F 8.37 4.27 0.00 3.17 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.27 3.95 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 11 V 7.84 3.68 2.14 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 1.20 0.00 0.00 0.99 0.00 0.00 12 D 8.19 4.39 0.00 2.93 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 13 C 8.03 4.02 0.00 2.91 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 14 F 8.27 4.39 0.00 3.29 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 15 L 8.37 3.82 0.00 1.72 1.64 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.50 3.88 0.00 3.47 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 4.10 0.00 3.47 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.28 3.46 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.31 0.77 0.00 0.00 19 R 7.65 4.06 0.00 1.59 1.70 0.00 2.53 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 20 K 7.50 3.49 0.00 0.79 1.30 0.00 1.39 0.00 0.00 1.42 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.35 7.81 21 R 7.48 3.84 0.00 1.85 1.92 0.00 3.46 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 22 F 8.27 4.21 0.00 3.01 3.18 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 23 A 8.37 3.86 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.27 0.00 2.79 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 25 N 7.51 4.62 0.00 2.61 2.68 0.00 0.00 7.00 8.98 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 26 G 7.92 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 27 L 7.37 4.17 0.00 0.27 0.83 0.61 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.28 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 29 D 8.32 4.73 0.00 2.99 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 30 A 8.41 4.03 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 31 P 0.00 4.27 0.00 2.24 2.15 0.00 4.04 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 2.15 2.17 0.00 32 F 8.64 4.02 0.00 3.36 3.26 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 0.00 0.00 0.00 0.00 33 L 8.10 4.14 0.00 2.03 1.76 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.22 4.35 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.92 0.00 1.82 1.84 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 36 L 7.77 3.98 0.00 1.66 1.85 0.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.14 4.01 0.00 2.10 2.10 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 38 R 8.07 3.96 0.00 2.05 1.97 0.00 3.19 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 1.66 1.88 0.00 39 D 8.73 4.49 0.00 2.94 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 40 Q 8.29 3.20 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 1.95 1.17 0.00 41 K 7.78 3.91 0.00 1.80 1.92 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 42 S 8.06 4.16 0.00 4.12 4.10 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 0.00 0.00 0.00 0.00 43 L 8.30 4.14 0.00 1.46 1.66 0.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.09 4.02 0.00 1.91 1.82 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 45 G 7.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.93 0.00 2.11 1.90 0.00 3.19 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 47 G 8.33 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.98 4.23 0.00 2.77 2.97 0.00 0.00 7.21 7.06 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 49 T 7.62 3.90 4.29 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 0.00 0.00 0.00 1.14 0.00 0.00 50 L 7.72 4.12 0.00 1.21 1.51 0.47 0.72 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 51 G 7.46 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 0.00 0.00 0.00 52 L 7.44 4.71 0.00 1.50 1.69 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.58 4.55 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.50 3.76 1.88 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 1.76 0.70 0.83 0.00 0.00 55 E 8.33 3.98 0.00 2.22 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 0.00 2.44 2.44 0.00 56 T 8.50 3.91 4.28 0.00 0.00 0.00 0.00 0.00 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 57 A 8.13 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 3.88 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 59 L 7.67 3.97 0.00 1.79 1.68 0.93 0.76 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 60 V 8.00 3.63 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 1.05 0.00 0.00 1.00 0.00 0.00 61 G 8.37 3.71 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 0.00 62 K 7.61 2.48 0.00 1.11 1.62 0.00 1.55 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.19 0.73 7.81 63 Q 7.56 3.94 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 64 I 7.83 3.73 2.01 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 1.40 0.89 0.96 0.00 0.00 65 V 7.94 3.68 2.14 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 1.22 0.00 0.00 1.20 0.00 0.00 66 E 8.34 3.99 0.00 2.25 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 2.33 2.36 0.00 67 W 8.33 3.99 0.00 3.57 3.25 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 68 I 7.87 4.08 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.95 0.00 0.00 69 L 7.93 4.07 0.00 1.77 1.73 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.55 4.25 0.00 1.63 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.39 7.81 71 E 7.56 4.04 0.00 1.16 1.12 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 1.47 1.74 0.00 72 E 8.02 4.19 0.00 2.15 1.75 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 2.26 2.28 0.00