NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 K 4.3026 8.3144 120.1347 55.9203 33.6314 174.7934 -2 K 3.8079 8.7515 120.0105 58.8764 31.5979 172.5929 -1 E 4.5650 8.0255 125.6905 55.7477 35.5187 176.4142 0 K 4.2959 7.8339 118.5132 55.2541 34.9332 176.0630 1 S 3.6834 8.4579 111.6408 58.4949 59.7179 169.4131 2 P 4.3930 0.0000 0.0000 65.4621 31.8070 176.9383 3 K 4.5901 7.6031 114.1221 55.0218 36.1414 175.3422 4 G 3.8892 8.3771 109.4476 44.9494 0.0000 172.9008 5 K 3.6191 8.9123 120.9562 57.1401 28.0198 174.8892 6 S 3.7836 7.8686 114.4290 56.8405 62.9384 174.6312 7 S 4.9975 7.1982 126.4906 58.1146 65.2241 178.3257 8 I 4.2491 7.4608 121.4035 59.3482 39.7713 175.4178 9 S 4.4201 8.3659 118.8897 57.7505 63.0435 173.3189 10 P 4.5273 0.0000 0.0000 66.6987 29.8372 177.8772 11 Q 4.1023 8.4560 117.0946 58.8126 27.9334 178.5384 12 A 4.4614 8.5456 122.7019 55.6944 18.4205 179.8407 13 R 4.0348 8.0583 113.2253 58.9465 29.9873 178.5077 14 A 3.9411 8.0137 121.7238 54.7798 18.4996 179.2785 15 F 4.1743 9.3308 113.5919 60.4002 37.8009 177.5002 16 L 3.7550 5.9803 120.0135 57.1364 41.6961 178.2271 17 E 3.9413 8.4230 119.3295 59.8733 29.4123 179.5107 18 Q 4.0323 8.2690 117.1868 59.6917 28.8334 177.8596 19 V 3.6099 7.9425 120.0826 66.0602 31.2935 177.5034 20 F 4.4902 8.8911 122.5284 60.7795 39.4067 177.0698 21 R 3.9849 7.5391 117.4254 59.4046 30.0069 177.9637 22 R 4.1030 8.1839 117.7952 60.4133 30.5778 176.6381 23 K 4.3087 7.6128 117.8527 57.1631 36.5304 175.0665 24 Q 4.5959 8.8958 111.9712 57.6636 32.7340 175.9936 25 S 4.4670 7.7373 113.5601 56.5480 60.8317 171.5322 26 L 4.1092 7.8049 122.8309 54.0153 41.7259 177.4890 27 N 4.8439 8.4809 121.8289 51.2539 40.4988 175.3763 28 S 4.5792 8.6571 113.4981 61.7612 61.8956 176.3725 29 K 4.0326 7.9441 120.3957 59.4677 31.6160 179.0587 30 E 3.8626 8.1470 118.6465 59.1087 29.3588 179.2379 31 K 4.4426 9.6239 119.6799 59.7595 32.4150 178.7376 32 E 4.1265 7.9569 117.8656 58.6800 29.6740 178.5084 33 E 4.0142 9.0004 120.5655 58.9443 29.4439 179.3576 34 V 3.7196 9.2021 118.8038 65.7155 31.6404 178.0183 35 A 3.7205 7.9573 120.8157 54.5194 17.9543 179.2216 36 K 4.1277 7.7874 115.9119 58.2672 33.1937 178.3560 37 K 4.3385 7.5114 118.0050 57.9631 33.6819 177.4549 38 C 4.5420 8.4726 117.2830 59.9684 28.8129 174.2208 39 G 3.9780 7.7825 108.8196 45.5879 0.0000 173.4284 40 I 4.1204 7.2670 122.7573 59.8054 39.7713 175.5159 41 T 4.6080 7.6536 115.4168 61.0503 73.5201 172.5871 42 P 4.3144 0.0000 0.0000 66.1594 30.6446 178.0749 43 L 4.1897 7.7563 118.6292 58.0798 40.0175 178.8905 44 Q 4.0615 7.7823 118.4401 59.0676 28.8497 178.4965 45 V 2.4802 7.9072 113.8083 63.7891 31.3456 178.8720 46 R 4.0583 7.6500 115.1917 59.3129 29.7997 179.1687 47 V 3.6229 7.3904 113.0144 63.1716 31.4935 178.4197 48 W 3.9153 9.5770 128.2539 60.6688 30.7362 178.1663 49 F 4.6152 7.9065 117.1286 60.0121 38.0908 177.8271 50 I 3.6872 7.5367 119.9526 64.6560 36.7715 178.0818 51 N 4.3590 7.6354 115.9316 55.9114 38.5468 177.3848 52 K 4.2300 8.1621 118.7908 57.8210 32.7916 177.3452 53 R 4.3270 8.2366 120.3074 55.0923 30.5201 175.9420 54 M 4.6207 7.8033 114.8528 55.5780 30.3969 175.4035 55 R 3.9032 7.9779 123.6290 59.1152 31.5793 182.2438 56 S 3.1830 8.9671 108.0311 55.8485 64.0963 171.4720 57 K 4.1436 6.2583 123.9470 56.9734 33.4589 174.4373 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 K 8.31 4.30 0.00 1.77 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.60 7.81 -2 K 8.75 3.81 0.00 1.79 1.84 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 -1 E 8.03 4.56 0.00 1.90 1.79 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 2.06 2.18 0.00 0 K 7.83 4.30 0.00 1.78 1.74 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.40 7.81 1 S 8.46 3.68 0.00 3.99 3.87 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 2 P 0.00 4.39 0.00 2.10 2.13 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 3 K 7.60 4.59 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.45 7.81 4 G 8.38 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 0.00 0.00 0.00 5 K 8.91 3.62 0.00 1.95 1.89 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.37 7.81 6 S 7.87 3.78 0.00 4.23 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.20 5.00 0.00 4.08 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 8 I 7.46 4.25 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.14 0.00 0.00 9 S 8.37 4.42 0.00 3.97 3.87 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 10 P 0.00 4.53 0.00 2.30 2.37 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 11 Q 8.46 4.10 0.00 2.23 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 12 A 8.55 4.46 1.68 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 0.00 0.00 13 R 8.06 4.03 0.00 2.08 2.25 0.00 3.01 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.71 0.00 14 A 8.01 3.94 1.42 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 0.00 0.00 15 F 9.33 4.17 0.00 3.40 3.37 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 16 L 5.98 3.76 0.00 0.85 1.52 1.40 1.19 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 17 E 8.42 3.94 0.00 2.17 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 0.00 2.34 2.41 0.00 18 Q 8.27 4.03 0.00 2.33 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 19 V 7.94 3.61 2.33 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 0.86 0.00 0.00 1.23 0.00 0.00 20 F 8.89 4.49 0.00 2.83 2.95 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 21 R 7.54 3.98 0.00 1.99 1.96 0.00 3.26 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 22 R 8.18 4.10 0.00 1.98 2.00 0.00 3.28 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 23 K 7.61 4.31 0.00 1.94 1.63 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.35 7.81 24 Q 8.90 4.60 0.00 2.08 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.32 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 25 S 7.74 4.47 0.00 3.83 3.80 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 26 L 7.80 4.11 0.00 1.80 1.72 0.52 1.10 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 27 N 8.48 4.84 0.00 2.93 2.99 0.00 0.00 6.01 7.67 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 28 S 8.66 4.58 0.00 3.92 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 29 K 7.94 4.03 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 30 E 8.15 3.86 0.00 2.26 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 2.43 2.39 0.00 31 K 9.62 4.44 0.00 2.07 2.33 0.00 1.30 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.46 7.81 32 E 7.96 4.13 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 33 E 9.00 4.01 0.00 2.02 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 2.36 2.50 0.00 34 V 9.20 3.72 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.00 0.00 0.00 35 A 7.96 3.72 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.13 0.00 1.86 1.96 0.00 1.57 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.42 7.81 37 K 7.51 4.34 0.00 1.94 2.02 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.66 7.81 38 C 8.47 4.54 0.00 3.10 3.21 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 0.00 0.00 0.00 0.00 39 G 7.78 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.27 4.12 1.56 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.24 0.00 0.00 41 T 7.65 4.61 4.15 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 0.00 0.00 1.13 0.00 0.00 42 P 0.00 4.31 0.00 2.18 2.19 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 43 L 7.76 4.19 0.00 1.92 1.93 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.78 4.06 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.19 0.00 45 V 7.91 2.48 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 46 R 7.65 4.06 0.00 2.04 2.17 0.00 2.98 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 47 V 7.39 3.62 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 0.80 0.00 0.00 1.09 0.00 0.00 48 W 9.58 3.92 0.00 3.38 3.15 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 0.00 0.00 0.00 49 F 7.91 4.62 0.00 3.18 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.69 2.05 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 1.72 1.32 0.90 0.00 0.00 51 N 7.64 4.36 0.00 2.46 2.72 0.00 0.00 7.29 7.41 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 52 K 8.16 4.23 0.00 2.09 1.96 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.04 1.68 7.81 53 R 8.24 4.33 0.00 0.89 1.68 0.00 3.12 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 54 M 7.80 4.62 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 55 R 7.98 3.90 0.00 1.87 1.96 0.00 3.57 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 0.00 56 S 8.97 3.18 0.00 3.90 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 57 K 6.26 4.14 0.00 2.04 1.73 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81