NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3428 8.3044 120.3282 53.3171 33.6418 175.5342 2 E 4.1945 9.4998 129.5416 57.3732 30.6281 174.2010 3 K 4.0252 8.0010 118.2055 59.2744 33.0166 179.0528 4 V 3.5661 7.6899 117.9887 66.3114 31.8394 177.8819 5 Q 4.1859 8.2071 117.2489 59.2253 28.4488 178.4588 6 Y 3.8967 8.0900 120.4764 60.3271 38.9765 177.6876 7 L 4.0163 7.9421 119.8234 58.1687 41.8738 179.2893 8 T 3.8377 8.3522 113.4267 65.2571 67.3586 176.0842 9 R 3.8803 7.9187 120.3010 59.4357 30.1716 178.6822 10 S 4.0381 7.9416 114.9308 61.2184 62.7559 176.5523 11 A 3.9284 7.8936 123.1846 55.3886 18.0820 179.6371 12 I 3.8252 7.5157 116.8913 64.5679 37.1690 178.3687 13 R 4.0452 7.7127 118.9070 58.9167 30.1098 178.0043 14 R 4.2383 7.7232 112.9586 57.1697 29.7561 177.2531 15 A 4.5877 8.2074 121.7075 51.8237 19.1476 178.2959 16 S 4.2409 8.0203 113.5227 60.7220 63.3070 174.7359 17 T 4.6249 7.6101 111.1657 61.4228 69.1993 174.1737 18 I 4.7748 7.2798 120.1042 61.1475 41.4314 175.8333 19 E 4.7238 8.3032 120.4983 54.7331 30.4338 174.5380 20 M 4.8923 7.5307 120.1412 53.0758 36.5856 173.5212 21 P 4.2758 0.0000 0.0000 63.2957 31.2892 176.1401 22 Q 3.7538 7.6400 119.6386 57.8438 28.2191 175.7445 23 Q 4.0700 7.9816 115.3147 59.4919 28.9434 179.6454 24 A 3.9528 7.9382 120.8752 55.0378 18.5463 179.2640 25 R 3.7762 7.9261 117.1342 59.7948 30.0690 178.6508 26 Q 3.9427 7.9687 116.9262 59.1076 28.8137 178.7241 27 K 3.9763 8.3118 119.5898 59.4349 32.0087 179.3986 28 L 4.0124 8.4681 119.4588 57.9239 41.7099 179.2211 29 Q 4.0276 7.9347 117.7132 59.4564 28.8497 179.1054 30 N 4.3904 8.0202 116.7205 56.3924 38.6558 177.4029 31 L 4.0556 8.4013 120.5865 57.8677 41.6621 179.5737 32 F 4.0923 8.9252 120.7335 61.3996 39.4163 176.8180 33 I 3.8974 7.8560 118.9662 64.7287 37.1223 177.5983 34 N 4.2300 8.0806 117.0201 56.9158 38.7335 176.5575 35 F 4.1376 8.6032 122.5100 61.1792 39.3934 176.7268 36 C 3.6375 8.4393 114.7793 61.1298 29.2884 175.8363 37 L 3.8453 7.6407 121.7238 57.5128 41.3411 179.5228 38 I 3.5757 7.3416 119.0318 64.1887 36.9804 178.2314 39 L 3.5917 7.5516 121.3122 58.2353 41.9279 179.1371 40 I 3.6800 7.9762 119.9635 65.0079 36.9601 177.3324 41 C 4.0754 7.9878 117.8410 62.5779 27.8541 175.6893 42 L 3.9763 8.1835 120.6085 58.1357 41.4138 179.8680 43 L 3.9197 7.8800 118.8749 57.8166 41.6255 179.2028 44 L 3.9795 7.9984 118.6787 58.0837 41.5380 179.8971 45 I 3.6727 7.6890 119.3807 64.4978 37.1714 178.1053 46 C 4.0645 7.9636 117.4494 62.9444 28.1040 176.0681 47 I 3.6918 7.6661 121.1829 64.6167 36.7243 178.4129 48 I 3.6670 7.6687 120.2795 64.5528 36.7587 178.5164 49 V 3.6146 7.7142 117.6281 66.4619 31.2294 177.6718 50 M 4.2269 7.6442 117.2080 58.1772 31.9219 178.3356 51 L 4.1269 7.5887 118.1169 57.4866 41.8457 177.7578 52 L 4.2754 7.7093 122.5546 55.2004 41.7863 176.8942 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 8.30 4.34 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 E 9.50 4.19 0.00 2.25 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 0.00 2.29 2.36 0.00 3 K 8.00 4.03 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.51 7.81 4 V 7.69 3.57 2.10 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 0.99 0.00 0.00 0.95 0.00 0.00 5 Q 8.21 4.19 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 6 Y 8.09 3.90 0.00 3.28 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 7 L 7.94 4.02 0.00 1.96 1.73 0.98 0.63 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 8 T 8.35 3.84 4.25 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 1.28 0.00 0.00 9 R 7.92 3.88 0.00 2.04 1.75 0.00 3.04 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 10 S 7.94 4.04 0.00 4.15 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.93 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 12 I 7.52 3.83 1.84 0.00 0.00 0.84 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 0.64 0.89 0.00 0.00 13 R 7.71 4.05 0.00 2.02 1.90 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 14 R 7.72 4.24 0.00 2.03 2.02 0.00 3.10 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 15 A 8.21 4.59 1.31 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 0.00 0.00 0.00 0.00 0.00 16 S 8.02 4.24 0.00 3.98 4.12 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 0.00 0.00 0.00 17 T 7.61 4.62 4.23 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 1.20 0.00 0.00 18 I 7.28 4.77 1.86 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 1.28 0.74 0.90 0.00 0.00 19 E 8.30 4.72 0.00 1.87 1.81 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 2.19 2.25 0.00 20 M 7.53 4.89 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 21 P 0.00 4.28 0.00 2.17 2.13 0.00 3.89 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 1.98 1.97 0.00 22 Q 7.64 3.75 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 Q 7.98 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 24 A 7.94 3.95 1.31 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 0.00 0.00 0.00 0.00 0.00 25 R 7.93 3.78 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 Q 7.97 3.94 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 27 K 8.31 3.98 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 28 L 8.47 4.01 0.00 1.90 1.71 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.93 4.03 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 30 N 8.02 4.39 0.00 2.74 2.89 0.00 0.00 7.42 8.10 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 31 L 8.40 4.06 0.00 1.83 1.77 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.93 4.09 0.00 3.15 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 33 I 7.86 3.90 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 0.96 0.00 0.00 34 N 8.08 4.23 0.00 2.83 3.01 0.00 0.00 6.97 7.27 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 35 F 8.60 4.14 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 36 C 8.44 3.64 0.00 2.82 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 37 L 7.64 3.85 0.00 1.66 1.71 0.91 0.91 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 38 I 7.34 3.58 1.79 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 1.35 1.00 0.72 0.00 0.00 39 L 7.55 3.59 0.00 0.92 1.43 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.98 3.68 1.92 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 1.47 0.73 0.87 0.00 0.00 41 C 7.99 4.08 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.98 0.00 1.68 1.70 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 3.92 0.00 1.81 1.67 0.87 0.55 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 L 8.00 3.98 0.00 1.80 1.72 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.69 3.67 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.90 0.00 0.00 46 C 7.96 4.06 0.00 3.17 2.97 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 47 I 7.67 3.69 2.01 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 1.51 1.35 0.90 0.00 0.00 48 I 7.67 3.67 2.02 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 1.40 0.78 0.90 0.00 0.00 49 V 7.71 3.61 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 0.78 0.00 0.00 0.95 0.00 0.00 50 M 7.64 4.23 0.00 2.06 2.26 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 2.63 2.80 0.00 51 L 7.59 4.13 0.00 1.82 1.73 0.96 0.89 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 52 L 7.71 4.28 0.00 1.80 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00