NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1390 8.5298 120.4219 55.7855 33.4629 174.1964 2 E 4.5427 8.3316 122.2547 54.3587 33.4057 172.7025 3 R 4.3393 8.4171 119.6532 56.0865 30.9583 177.9980 4 L 4.0727 8.7776 126.3286 55.1135 43.0386 176.0387 5 S 4.9164 8.3598 118.7720 56.3776 64.2087 174.9796 6 E 4.1893 8.8938 125.5167 59.0674 29.3895 177.5121 7 D 4.7832 7.7257 116.3475 54.0359 41.3965 176.6847 8 D 4.5189 7.9787 120.2565 53.4682 43.0879 175.0338 9 P 4.2793 0.0000 0.0000 65.8364 31.4480 178.7989 10 A 4.0994 8.4564 119.3353 55.0337 18.2281 179.5856 11 A 4.1606 7.9642 118.7771 55.5827 18.5806 179.6392 12 Q 4.0094 8.3858 116.4160 59.1993 28.5652 178.9607 13 A 4.0970 8.0929 120.7128 54.3640 18.5217 178.1352 14 L 4.5189 7.5661 114.3532 53.7558 42.1740 176.3922 15 E 4.0777 8.2196 117.0590 57.3422 27.6510 174.5878 16 Y 4.6106 8.2503 118.3880 57.6916 39.9180 174.8922 17 R 4.4689 7.7209 124.0427 54.4334 33.9314 176.4326 18 H 4.0404 9.5760 119.7006 57.6244 29.0821 175.0329 19 D 4.7259 7.6402 118.1016 51.8035 42.6728 175.6122 20 A 3.7603 8.7708 131.8173 55.0981 18.5086 179.3963 21 S 4.0938 7.9540 109.6956 60.5091 62.9128 175.1578 22 S 4.4313 7.6267 114.6350 57.7700 63.1977 174.2602 23 V 3.4705 7.1709 122.3197 62.7291 31.5063 175.7883 24 Q 4.2395 8.0536 127.0314 54.1589 29.6825 172.6585 25 H 4.8450 7.9239 121.6874 53.3805 33.2351 172.4629 26 P 4.2333 0.0000 0.0000 65.5342 31.3081 177.4407 27 A 4.3457 8.2412 119.1679 53.8806 19.0045 177.0509 28 Y 4.1430 7.8844 117.9086 57.4145 39.5781 174.4792 29 E 4.1997 7.0444 124.1634 53.7242 33.2450 175.0898 30 E 3.9374 7.5526 122.0145 57.0083 29.8824 177.0355 31 G 3.9598 8.7062 111.0016 45.6170 0.0000 173.8328 32 Q 3.9356 7.0712 119.6268 55.3721 29.3965 175.3477 33 T 5.0901 9.4272 112.1347 60.1513 72.4262 174.6168 34 C 4.1913 8.7467 119.6858 62.8392 28.2670 176.1938 35 L 3.4979 7.4804 120.7068 57.5247 41.3014 177.3553 36 N 4.9569 8.2034 113.6971 52.5359 37.7656 173.2145 37 C 4.3011 8.1996 120.1559 58.0746 32.6480 174.3054 38 L 3.9123 8.3523 129.2684 58.1388 41.8159 177.9159 39 L 4.0915 7.7233 116.3851 55.7350 41.9211 175.6290 40 Y 4.8437 7.7330 121.0935 56.0798 37.6228 174.6262 41 T 3.7923 7.9928 117.9126 63.6894 68.9767 173.9279 42 D 4.5773 7.2861 122.2433 51.7319 40.8356 176.0696 43 A 4.2088 8.5448 130.1792 54.2339 18.5640 178.0175 44 S 4.4688 8.1705 108.6413 58.0103 63.6170 174.5907 45 A 4.2864 7.9849 125.3476 52.0712 16.9186 177.4573 46 Q 4.3395 8.6311 119.8532 57.6690 29.0948 175.7909 47 D 4.8316 7.7616 115.2220 53.6033 41.7508 175.2610 48 W 5.5184 8.1052 118.9954 54.0693 33.0522 174.1183 49 G 4.2241 9.4569 110.3964 44.2011 0.0000 170.3036 50 P 5.1284 0.0000 0.0000 62.2934 33.1354 174.9115 51 C 5.2393 8.4086 120.2049 57.8662 34.2558 174.8302 52 S 4.1073 9.1497 123.4985 61.6237 62.5780 175.9173 53 V 3.7789 7.6299 116.7612 62.4710 32.3921 176.2016 54 F 4.8143 8.0230 119.5760 54.5725 39.0156 172.0882 55 P 4.3762 0.0000 0.0000 64.1051 32.3400 177.3642 56 G 3.9674 9.0826 109.5190 45.4944 0.0000 172.5179 57 K 5.2335 7.8795 117.7929 54.3870 36.7017 174.8298 58 L 5.0341 8.7184 121.6293 53.3430 44.1532 176.4266 59 V 4.9413 9.3142 117.1999 59.3068 35.3582 174.9764 60 S 3.4172 9.2143 118.2033 57.8162 62.6959 174.9789 61 A 3.4447 8.7474 129.7796 54.3495 19.2478 178.1503 62 N 4.4872 7.7726 111.8738 53.4824 40.0175 176.1988 63 G 4.2443 7.8312 108.7949 46.6133 0.0000 172.6061 64 W 5.1241 8.2370 126.7695 57.2743 34.9541 173.8891 65 C 4.9425 6.9280 117.9763 57.0044 32.1527 174.8603 66 T 3.3956 8.3881 109.8496 63.9995 68.2312 174.9644 67 A 4.2458 7.5519 123.2191 51.7816 18.8016 176.8418 68 W 4.2418 7.4314 127.8848 58.2133 31.4017 175.9362 69 V 4.0191 6.8687 124.6654 59.4336 34.2629 174.0146 70 A 3.7609 7.6764 125.8693 51.6252 19.1636 177.3397 71 R 3.8923 7.8547 118.8918 56.5973 30.1089 176.3638 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 8.53 5.14 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 2 E 8.33 4.54 0.00 2.03 1.94 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 2.23 2.36 0.00 3 R 8.42 4.34 0.00 1.36 1.44 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.10 0.00 4 L 8.78 4.07 0.00 1.30 1.34 0.59 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.36 4.92 0.00 3.90 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 6 E 8.89 4.19 0.00 2.04 2.05 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 2.41 2.11 0.00 7 D 7.73 4.78 0.00 2.70 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 8 D 7.98 4.52 0.00 2.80 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 9 P 0.00 4.28 0.00 2.23 2.13 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 10 A 8.46 4.10 1.53 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 0.00 0.00 11 A 7.96 4.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 4.01 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 13 A 8.09 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 4.52 0.00 2.09 1.73 0.60 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.22 4.08 0.00 2.25 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 0.00 2.37 2.34 0.00 16 Y 8.25 4.61 0.00 3.02 3.02 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 17 R 7.72 4.47 0.00 1.62 1.52 0.00 3.26 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 18 H 9.58 4.04 0.00 3.10 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.64 4.73 0.00 2.56 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 20 A 8.77 3.76 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 21 S 7.95 4.09 0.00 3.95 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 22 S 7.63 4.43 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.17 3.47 0.69 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 -0.33 0.00 0.00 0.55 0.00 0.00 24 Q 8.05 4.24 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.44 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 25 H 7.92 4.85 0.00 3.12 2.89 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.23 0.00 2.08 2.11 0.00 3.26 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 27 A 8.24 4.35 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 4.14 0.00 1.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.04 4.20 0.00 1.59 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 2.12 2.10 0.00 30 E 7.55 3.94 0.00 1.80 1.80 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 2.40 2.26 0.00 31 G 8.71 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.07 3.94 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 1.16 1.61 0.00 33 T 9.43 5.09 4.39 0.00 0.00 0.00 0.00 0.00 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 34 C 8.75 4.19 0.00 2.91 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 35 L 7.48 3.50 0.00 1.57 1.66 1.08 0.79 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 36 N 8.20 4.96 0.00 3.19 3.10 0.00 0.00 6.56 6.98 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 37 C 8.20 4.30 0.00 3.17 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 38 L 8.35 3.91 0.00 1.57 1.49 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.72 4.09 0.00 1.76 1.67 0.84 0.72 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 40 Y 7.73 4.84 0.00 2.96 3.06 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 0.00 0.00 0.00 0.00 41 T 7.99 3.79 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 1.24 0.00 0.00 42 D 7.29 4.58 0.00 2.54 2.38 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 43 A 8.54 4.21 1.36 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 0.00 0.00 44 S 8.17 4.47 0.00 4.04 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 45 A 7.98 4.29 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 46 Q 8.63 4.34 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 47 D 7.76 4.83 0.00 2.86 2.87 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 0.00 0.00 0.00 48 W 8.11 5.52 0.00 3.19 3.24 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 0.00 49 G 9.46 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 0.00 0.00 0.00 0.00 50 P 0.00 5.13 0.00 2.07 2.16 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.74 0.00 51 C 8.41 5.24 0.00 3.21 2.99 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 52 S 9.15 4.11 0.00 3.86 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 V 7.63 3.78 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 0.39 0.00 0.00 0.66 0.00 0.00 54 F 8.02 4.81 0.00 3.05 2.87 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 0.00 0.00 0.00 55 P 0.00 4.38 0.00 2.04 2.00 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 56 G 9.08 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 0.00 0.00 0.00 57 K 7.88 5.23 0.00 1.90 1.61 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 58 L 8.72 5.03 0.00 1.66 1.84 0.94 0.96 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 59 V 9.31 4.94 2.25 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 0.48 0.00 0.00 1.32 0.00 0.00 60 S 9.21 3.42 0.00 3.02 3.63 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 61 A 8.75 3.44 1.22 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 62 N 7.77 4.49 0.00 2.55 2.74 0.00 0.00 6.72 7.46 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 63 G 7.83 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 0.00 0.00 0.00 0.00 64 W 8.24 5.12 0.00 3.36 2.87 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 0.00 0.00 0.00 65 C 6.93 4.94 0.00 3.32 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 66 T 8.39 3.40 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 1.21 0.00 0.00 67 A 7.55 4.25 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 68 W 7.43 4.24 0.00 2.93 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 69 V 6.87 4.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.74 0.00 0.00 70 A 7.68 3.76 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 71 R 7.85 3.89 0.00 1.99 1.82 0.00 3.33 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00