NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.8258 8.3193 115.5484 58.6360 63.6868 172.5126 1 M 4.4043 9.1559 123.5367 51.9787 35.0841 171.8800 2 W 5.6919 7.5534 115.8426 54.7490 32.3201 175.2664 3 I 5.0729 9.0056 114.5254 59.5309 41.3784 173.5804 4 Q 4.9496 9.0667 121.8268 54.3469 31.2537 174.8577 5 V 4.8658 9.0647 123.9923 61.2155 33.9721 174.2932 6 R 5.3922 8.6424 127.5529 54.3391 33.5025 174.6700 7 T 4.3961 9.0240 116.5428 62.0435 69.4234 175.2156 8 M 4.0301 8.6157 123.7488 58.5671 32.1102 177.6503 9 D 4.4108 8.0200 115.9659 54.0546 40.0448 177.3011 10 G 4.0205 8.1697 108.5627 45.5845 0.0000 174.7944 11 R 4.1376 8.5791 118.2891 58.1095 30.5733 176.4391 12 Q 4.6870 8.2392 118.8273 54.6528 32.6879 174.0044 13 T 5.4186 8.2994 120.7486 62.5757 73.0040 173.0032 14 H 4.8670 9.7052 121.6988 54.4224 33.5725 173.1054 15 T 4.5925 8.7388 120.0623 63.7321 69.3004 173.7514 16 V 4.5330 8.9728 126.4295 61.3126 33.9077 174.4471 17 D 5.5299 8.3421 126.9245 52.8237 42.3149 174.6656 18 S 3.7831 8.6917 111.3338 60.0109 60.5331 172.4157 19 L 4.6727 7.9073 118.4760 53.2985 43.6901 176.1537 20 S 5.0308 8.2964 114.6985 55.8842 65.7767 175.4221 21 R 4.1682 8.4084 117.3041 59.0660 28.9726 177.8665 22 L 4.4424 7.2204 115.3538 54.8807 42.1256 177.0821 23 T 3.9590 8.2034 117.8816 63.6943 69.1611 173.7948 24 K 4.7781 8.4241 124.8873 55.6944 34.3889 178.2655 25 V 3.5965 8.5899 123.0151 66.4417 31.2611 178.5401 26 E 4.0331 8.1163 116.6413 59.3300 29.5702 178.6354 27 E 3.9533 8.0015 119.9167 58.8240 29.7235 178.2562 28 L 3.9726 7.9572 120.5499 58.1753 42.2410 179.0490 29 R 3.8981 8.3426 118.4157 59.5065 29.7636 179.2913 30 R 4.0043 7.6305 116.6413 59.0333 29.9224 178.9522 31 K 4.1706 7.9640 118.2436 59.5349 31.9824 179.5325 32 I 3.9532 8.2354 120.5188 64.2702 36.8482 178.2731 33 Q 4.2074 7.9425 121.5756 58.7402 28.6714 178.1439 34 E 3.9803 7.8925 118.1011 58.5661 29.4851 178.3193 35 L 4.1966 7.7164 117.2099 55.1128 42.8953 176.9846 36 F 4.5726 8.3329 114.5397 56.4537 40.6978 174.6629 37 H 4.1982 8.2347 117.1959 57.1550 26.1433 175.1771 38 V 4.4452 7.3359 117.5645 60.5762 34.4391 174.1979 39 E 4.2049 8.7178 126.5937 55.7885 30.2760 175.9126 40 P 4.3985 0.0000 0.0000 64.9742 31.5424 178.8113 41 G 3.6878 8.0907 105.2424 47.7664 0.0000 173.6751 42 L 4.5325 8.0516 118.8599 54.9533 43.4584 176.3568 43 Q 4.7082 8.0295 120.0524 55.3142 30.2360 175.0682 44 R 4.5574 9.1299 123.2124 54.2256 33.5071 174.5944 45 L 5.1742 8.0180 122.8671 52.8748 44.8626 175.3243 46 F 5.0888 9.3634 121.6421 55.7015 43.1177 173.3562 47 Y 4.8852 8.8618 123.9549 55.9792 41.2839 175.6651 48 R 3.6755 9.4938 127.1036 57.1709 27.8444 177.5143 49 G 3.9388 8.5155 104.3089 45.1777 0.0000 173.6853 50 K 4.4988 8.1528 122.5089 54.5961 33.2562 175.2356 51 Q 3.7127 8.7407 128.0303 56.4239 29.5830 174.8880 52 M 4.1472 8.5028 126.5870 53.9676 33.4073 175.4039 53 E 4.7796 9.1721 122.5185 54.2078 33.0270 175.7762 54 D 4.4504 8.5200 122.2320 55.6370 41.5093 176.6867 55 G 4.0026 9.9690 111.3917 45.5768 0.0000 173.6932 56 H 5.0122 7.7064 116.7982 54.8007 30.1361 174.3908 57 T 5.1322 9.0445 111.9023 59.6396 71.2516 175.6658 58 L 4.0780 8.5632 121.9269 58.0440 42.0158 179.8767 59 F 4.2701 8.7728 120.8916 61.3937 39.5216 176.5502 60 D 4.1308 8.1763 119.2701 57.7124 40.5444 177.4431 61 Y 4.1161 7.4556 111.9385 57.8147 38.0935 175.1786 62 E 3.6835 8.0209 118.7540 57.1001 27.5168 174.7860 63 V 3.4596 7.6813 118.7526 62.7737 32.0876 175.5423 64 R 4.5181 9.0173 126.2993 53.5433 32.5159 175.1542 65 L 3.6689 8.1192 120.5668 56.9029 41.9661 176.0636 66 N 4.4421 9.2290 123.4557 54.5345 38.0413 173.5309 67 D 4.8404 7.9241 116.5907 54.1938 42.4594 175.0865 68 T 5.3554 8.5631 116.2606 61.8721 71.4082 173.9627 69 I 4.8768 8.6779 118.5154 59.2662 40.8213 174.6519 70 Q 4.8793 9.2063 124.2973 55.3585 30.7153 174.3755 71 L 5.0036 8.7601 125.1402 53.3000 44.3468 174.5914 72 L 4.9955 9.2071 129.0243 53.3801 44.5390 174.8896 73 V 4.7347 8.2203 125.5660 61.2290 32.8700 175.4474 74 R 4.2287 8.9476 127.8912 56.1196 30.3456 177.2323 75 Q 4.1607 8.8178 121.6006 58.3548 29.2134 176.6218 76 S 4.2378 7.7513 115.6578 58.4032 63.2457 173.4941 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 S 8.32 4.83 0.00 3.93 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 1 M 9.16 4.40 0.00 1.86 1.75 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 2 W 7.55 5.69 0.00 3.38 3.29 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 0.00 3 I 9.01 5.07 2.04 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 1.28 0.84 0.88 0.00 0.00 4 Q 9.07 4.95 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 5 V 9.06 4.87 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.01 0.00 0.00 6 R 8.64 5.39 0.00 2.01 1.76 0.00 3.19 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 7 T 9.02 4.40 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 1.39 0.00 0.00 8 M 8.62 4.03 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 9 D 8.02 4.41 0.00 2.77 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 10 G 8.17 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.58 4.14 0.00 1.81 2.03 0.00 3.29 0.00 0.00 3.17 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 12 Q 8.24 4.69 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 13 T 8.30 5.42 4.22 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 1.30 0.00 0.00 14 H 9.71 4.87 0.00 2.85 3.03 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.74 4.59 4.27 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 0.00 0.00 0.00 1.35 0.00 0.00 16 V 8.97 4.53 2.16 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 1.14 0.00 0.00 1.05 0.00 0.00 17 D 8.34 5.53 0.00 2.91 2.80 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 18 S 8.69 3.78 0.00 4.06 4.01 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 0.00 0.00 0.00 19 L 7.91 4.67 0.00 1.83 1.57 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.30 5.03 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 21 R 8.41 4.17 0.00 2.06 2.20 0.00 2.53 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 22 L 7.22 4.44 0.00 1.69 1.71 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.20 3.96 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 1.22 0.00 0.00 24 K 8.42 4.78 0.00 1.77 1.90 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.44 7.81 25 V 8.59 3.60 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 1.08 0.00 0.00 1.04 0.00 0.00 26 E 8.12 4.03 0.00 2.19 2.50 0.00 0.00 0.00 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 2.31 0.00 27 E 8.00 3.95 0.00 2.10 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 0.00 2.38 2.43 0.00 28 L 7.96 3.97 0.00 1.80 1.81 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.34 3.90 0.00 2.04 1.95 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 30 R 7.63 4.00 0.00 1.93 2.00 0.00 3.17 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 1.67 1.67 0.00 31 K 7.96 4.17 0.00 2.00 1.89 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.70 1.65 7.81 32 I 8.24 3.95 2.00 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 1.48 0.97 0.72 0.00 0.00 33 Q 7.94 4.21 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 34 E 7.89 3.98 0.00 2.08 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 2.36 2.57 0.00 35 L 7.72 4.20 0.00 1.60 1.06 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.33 4.57 0.00 3.00 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 37 H 8.23 4.20 0.00 3.35 3.39 0.00 5.59 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.34 4.45 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 1.04 0.00 0.00 1.02 0.00 0.00 39 E 8.72 4.20 0.00 2.12 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 2.41 2.41 0.00 40 P 0.00 4.40 0.00 2.16 2.11 0.00 3.88 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 2.12 2.07 0.00 41 G 8.09 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.53 0.00 1.69 1.85 0.96 1.15 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 43 Q 8.03 4.71 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 44 R 9.13 4.56 0.00 1.81 1.72 0.00 3.15 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 45 L 8.02 5.17 0.00 1.31 1.37 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 F 9.36 5.09 0.00 2.90 2.94 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 47 Y 8.86 4.89 0.00 2.90 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 48 R 9.49 3.68 0.00 1.62 1.77 0.00 3.08 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 0.00 49 G 8.52 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 0.00 0.00 0.00 50 K 8.15 4.50 0.00 1.89 2.02 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.50 7.81 51 Q 8.74 3.71 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.54 0.00 0.00 0.00 0.00 0.00 2.22 1.77 0.00 52 M 8.50 4.15 0.00 1.31 1.60 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.45 0.00 53 E 9.17 4.78 0.00 1.84 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 2.28 2.43 0.00 54 D 8.52 4.45 0.00 2.63 2.63 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 55 G 9.97 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 56 H 7.71 5.01 0.00 3.59 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 9.04 5.13 4.51 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 1.26 0.00 0.00 58 L 8.56 4.08 0.00 1.96 1.76 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.77 4.27 0.00 3.15 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 60 D 8.18 4.13 0.00 2.66 2.29 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 0.00 61 Y 7.46 4.12 0.00 2.91 2.94 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 62 E 8.02 3.68 0.00 2.19 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 2.17 2.40 0.00 63 V 7.68 3.46 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 0.55 0.00 0.00 -0.01 0.00 0.00 64 R 9.02 4.52 0.00 1.89 1.80 0.00 3.22 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 65 L 8.12 3.67 0.00 1.28 1.40 -0.56 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 66 N 9.23 4.44 0.00 3.01 3.01 0.00 0.00 7.30 8.65 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 67 D 7.92 4.84 0.00 2.94 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 68 T 8.56 5.36 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 69 I 8.68 4.88 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.94 0.00 0.00 70 Q 9.21 4.88 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 71 L 8.76 5.00 0.00 1.46 1.25 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.21 5.00 0.00 1.78 1.89 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.22 4.73 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 0.88 0.00 0.00 0.91 0.00 0.00 74 R 8.95 4.23 0.00 1.70 1.85 0.00 3.24 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 75 Q 8.82 4.16 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 76 S 7.75 4.24 0.00 3.91 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