NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1170 8.1100 120.0881 55.3535 34.4463 173.5218 2 K 4.7622 8.2209 120.7952 54.6925 35.1110 174.3899 3 I 5.0465 8.4642 129.9449 60.8025 39.9258 175.4941 4 K 5.9689 8.4235 131.4174 56.9451 32.9439 170.9825 5 L 3.8612 7.7725 129.1786 55.7637 43.1176 177.3302 6 V 4.4537 7.3327 122.0594 59.5727 32.1068 177.7801 7 R 4.3644 7.9750 113.1607 56.0462 33.2637 174.5217 8 S 3.9547 8.6439 117.4175 57.6502 63.6030 174.7483 9 V 3.7899 8.4593 125.6147 64.6564 31.8281 175.9303 10 I 3.7714 7.1266 119.9372 62.6986 37.5014 175.2179 11 G 3.9902 8.6413 109.0679 46.3907 0.0000 173.3587 12 R 4.5760 7.3841 116.7342 53.4972 32.2505 174.4280 13 P 4.4437 0.0000 0.0000 62.1325 32.2294 177.6182 14 G 3.9398 9.1058 112.5274 49.6368 0.0000 175.2534 15 N 3.9484 7.5507 116.0647 56.0938 39.5576 176.8859 16 Q 3.8869 8.2685 116.4296 59.4647 29.0333 178.6688 17 V 3.5784 8.5361 117.5626 65.2596 31.1461 178.3141 18 K 4.2664 7.0478 119.2735 59.8324 32.4851 177.8665 19 T 3.9874 7.6692 116.5735 65.8467 67.9999 176.7863 20 V 3.5090 8.2833 120.3254 66.8527 31.5450 177.7115 21 Q 3.9670 8.5643 119.1946 58.9677 28.6398 177.5896 22 A 3.8381 8.4162 121.3054 55.8800 18.5597 180.2209 23 L 3.9321 7.9173 117.2064 58.4255 42.0071 177.4473 24 G 3.3279 6.6855 108.5495 44.8990 0.0000 172.8239 25 L 4.5474 7.2660 121.5348 53.3686 42.5937 176.5662 26 R 4.5353 8.4971 121.7143 56.4908 31.7619 176.2206 27 K 4.6469 7.7491 115.7519 54.5602 36.3954 175.5770 28 I 4.0894 7.4561 114.4180 61.3272 38.2099 176.1771 29 G 4.0215 8.8039 109.8954 45.4709 0.0000 173.6718 30 D 4.7673 7.7854 118.9881 54.0073 42.2077 175.5649 31 S 5.2331 8.1429 115.2308 58.7612 64.6668 176.2819 32 R 4.5602 7.6439 116.5284 55.4424 32.8294 173.0264 33 E 4.9160 8.7140 121.5087 55.2558 30.1748 175.3329 34 V 4.4118 8.5459 128.3732 59.0720 32.8697 177.6917 35 S 4.6333 8.6607 115.4318 57.7669 61.6211 175.4619 36 D 4.6006 8.4131 117.8277 54.1298 42.7711 175.7264 37 T 4.1597 7.8700 115.0040 62.0824 70.3411 173.0791 38 P 4.1852 0.0000 0.0000 66.9712 30.8729 177.6882 39 A 4.0930 8.2298 119.2129 55.2251 17.8149 179.1249 40 V 3.4769 7.7193 115.6555 66.2264 31.9737 178.5542 41 R 4.1181 8.5074 117.8339 59.1583 29.9655 178.8267 42 G 3.8133 9.1975 106.4632 49.0221 0.0000 175.6834 43 M 3.7719 8.4791 121.1823 57.1251 32.3667 178.6360 44 V 3.3828 8.6445 118.8678 64.0162 31.1217 181.0361 45 K 4.0972 8.1557 115.5142 58.0873 36.3676 175.9299 46 T 4.2851 8.0329 106.5014 62.2555 66.8993 176.2336 47 V 4.1408 8.4585 112.5346 62.6150 33.8170 175.5208 48 K 3.5313 7.9407 120.2302 59.9331 32.4251 178.5763 49 H 4.0182 7.5455 118.2439 58.0817 29.3248 175.4645 50 L 3.9654 7.6974 121.3127 56.2140 41.0702 176.2855 51 L 4.5629 5.9651 132.4107 55.1403 41.1239 177.7544 52 E 4.0780 8.8182 126.0651 56.6135 30.8233 175.4778 53 V 4.5041 8.2898 124.8356 62.5918 33.9475 173.6711 54 Q 4.2670 9.7738 128.5318 56.0764 29.5384 175.3512 55 E 4.2789 9.1170 120.3421 56.8937 30.5812 174.6868 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 8.11 5.12 0.00 1.96 2.05 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 2.58 2.33 0.00 2 K 8.22 4.76 0.00 2.08 1.68 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.59 7.81 3 I 8.46 5.05 1.87 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 0.91 1.95 0.90 0.00 0.00 4 K 8.42 5.97 0.00 1.91 2.01 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.01 7.81 5 L 7.77 3.86 0.00 1.79 1.65 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.33 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 0.86 0.00 0.00 1.08 0.00 0.00 7 R 7.97 4.36 0.00 1.77 1.85 0.00 3.41 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 8 S 8.64 3.95 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.46 3.79 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 0.95 0.00 0.00 0.94 0.00 0.00 10 I 7.13 3.77 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 1.23 0.64 0.91 0.00 0.00 11 G 8.64 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.38 4.58 0.00 2.15 1.87 0.00 3.31 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 13 P 0.00 4.44 0.00 2.23 1.96 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 14 G 9.11 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 15 N 7.55 3.95 0.00 2.86 2.80 0.00 0.00 6.99 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.27 3.89 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 17 V 8.54 3.58 2.13 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 1.11 0.00 0.00 1.01 0.00 0.00 18 K 7.05 4.27 0.00 1.78 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.69 7.81 19 T 7.67 3.99 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 20 V 8.28 3.51 2.18 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 0.99 0.00 0.00 0.98 0.00 0.00 21 Q 8.56 3.97 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 22 A 8.42 3.84 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.93 0.00 1.83 1.69 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 G 6.69 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.27 4.55 0.00 1.67 1.61 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.50 4.54 0.00 1.77 1.95 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 27 K 7.75 4.65 0.00 1.77 1.64 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 28 I 7.46 4.09 1.94 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 1.30 1.60 0.96 0.00 0.00 29 G 8.80 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 30 D 7.79 4.77 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 5.23 0.00 3.98 3.83 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 32 R 7.64 4.56 0.00 1.86 2.03 0.00 2.95 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 33 E 8.71 4.92 0.00 1.98 1.91 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 2.24 2.36 0.00 34 V 8.55 4.41 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 0.80 0.00 0.00 0.93 0.00 0.00 35 S 8.66 4.63 0.00 3.99 3.68 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 0.00 0.00 0.00 0.00 36 D 8.41 4.60 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.16 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 38 P 0.00 4.19 0.00 2.25 2.34 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 39 A 8.23 4.09 1.32 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 0.00 0.00 0.00 40 V 7.72 3.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 41 R 8.51 4.12 0.00 1.97 1.95 0.00 3.20 0.00 0.00 3.51 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 42 G 9.20 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 43 M 8.48 3.77 0.00 1.96 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.08 0.00 44 V 8.64 3.38 2.23 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 0.91 0.00 0.00 0.97 0.00 0.00 45 K 8.16 4.10 0.00 2.03 2.05 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 46 T 8.03 4.29 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 47 V 8.46 4.14 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 0.78 0.00 0.00 0.97 0.00 0.00 48 K 7.94 3.53 0.00 1.96 1.66 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.41 7.81 49 H 7.55 4.02 0.00 3.26 3.44 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.70 3.97 0.00 1.79 1.54 0.96 0.63 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 51 L 5.97 4.56 0.00 1.68 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.82 4.08 0.00 2.07 1.86 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 2.38 2.32 0.00 53 V 8.29 4.50 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 0.82 0.00 0.00 0.92 0.00 0.00 54 Q 9.77 4.27 0.00 1.97 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.44 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 55 E 9.12 4.28 0.00 2.07 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 2.31 2.35 0.00