NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2590 8.2493 123.5812 50.5403 18.9194 174.3346 7 P 4.6949 0.0000 0.0000 60.7069 31.8036 176.4066 8 D 4.7062 8.8802 124.2679 52.1899 43.5376 177.1220 9 F 4.0179 8.8918 119.5698 62.4408 38.9094 177.1100 10 H 4.5788 8.2819 114.9094 58.6569 28.7956 177.2994 11 D 4.3048 8.6873 121.0521 57.3303 40.4342 179.0148 12 K 3.6341 7.5218 117.6225 58.4854 32.2746 177.5072 13 Y 4.6408 7.7025 114.4209 57.0371 40.3229 177.7050 14 G 4.0408 8.3069 107.9191 48.4067 0.0000 175.5149 15 N 4.4109 8.1339 118.7330 55.4165 38.6055 177.1049 16 A 3.9933 8.0243 121.7540 55.3539 18.4506 179.3518 17 V 3.5726 8.3585 116.6780 66.3021 31.5674 177.8984 18 L 3.9415 8.1583 119.4260 58.3573 41.9315 178.1738 19 A 3.9468 8.3663 120.6192 55.9001 18.2009 179.6295 20 S 4.2202 8.7192 111.4782 61.3945 63.0690 176.7125 21 G 3.8130 8.4989 109.7934 47.7063 0.0000 175.4409 22 A 3.8725 8.0527 123.7439 54.7190 18.3735 179.9761 23 T 3.9070 7.8650 114.0186 66.6198 68.7516 176.7216 24 F 4.1833 8.6057 122.9740 61.6348 39.5014 176.5359 25 C 3.9997 9.0252 118.7090 62.7224 31.4050 175.8072 26 V 3.6575 8.0539 119.4952 65.7994 31.0779 177.8517 27 A 4.0957 7.9858 120.7577 54.9794 18.4285 180.0228 28 V 3.5756 7.6121 117.6594 64.4205 31.3561 178.8177 29 W 3.8152 8.0908 119.3164 59.5032 28.9103 178.5392 30 V 3.6756 8.0445 118.2394 66.2738 30.8786 177.4760 31 Y 4.0277 8.1879 119.2298 60.8350 38.4135 177.5158 32 M 3.8650 8.3836 118.4214 58.6079 32.4115 177.8323 33 A 4.6386 8.4516 120.5887 54.4805 18.6664 178.6240 34 T 4.5858 7.7983 105.5740 61.5341 70.5446 174.8488 35 Q 4.4110 7.8882 118.8513 55.5335 29.4893 175.6480 36 I 4.3583 7.1106 109.8082 60.0084 38.2440 175.2462 37 G 3.7766 8.1642 106.8296 47.1162 0.0000 174.2545 38 I 3.5724 7.6145 120.3665 60.3105 37.6191 175.8757 39 E 4.1752 8.2964 126.6187 55.1156 28.5590 175.9585 40 W 4.2552 8.6898 126.7655 57.1934 30.1994 176.1312 41 N 4.1251 8.0804 116.4362 53.8385 36.8839 171.1282 42 P 4.5215 0.0000 0.0000 62.0666 32.7685 176.6040 43 S 4.1572 8.4715 113.2639 58.2882 62.6011 172.8406 44 P 4.3354 0.0000 0.0000 64.6008 31.4784 176.5234 45 V 3.6609 7.5297 119.0795 64.0437 31.4179 175.6516 46 G 4.0385 9.1634 114.8521 46.1443 0.0000 173.8451 47 R 4.5871 8.4436 114.4432 54.9733 32.1651 175.2278 48 V 4.2736 7.7100 117.7489 61.0333 33.5019 174.6760 49 T 4.3194 8.3813 124.0008 61.6383 68.4276 172.9958 50 P 4.4259 0.0000 0.0000 62.4806 32.0226 175.9948 51 K 4.6784 8.2746 121.8037 53.9929 35.2692 175.6783 52 E 4.0343 8.9062 124.3928 56.7929 29.8038 176.9281 53 W 4.7087 7.8653 118.5182 56.7217 30.5462 175.4334 54 R 3.0677 6.7215 122.7201 56.0351 29.2802 175.7384 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 6 A 8.25 4.26 1.28 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 0.00 0.00 7 P 0.00 4.69 0.00 2.17 2.07 0.00 3.35 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 8 D 8.88 4.71 0.00 2.95 2.90 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 9 F 8.89 4.02 0.00 3.27 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 10 H 8.28 4.58 0.00 3.39 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.69 4.30 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 3.63 0.00 0.79 0.77 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.37 7.81 13 Y 7.70 4.64 0.00 2.33 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.41 0.00 2.75 2.88 0.00 0.00 6.87 7.59 0.00 0.00 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 A 8.02 3.99 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 17 V 8.36 3.57 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 1.17 0.00 0.00 1.09 0.00 0.00 18 L 8.16 3.94 0.00 1.93 1.84 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.37 3.95 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.72 4.22 0.00 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 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 22 A 8.05 3.87 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.87 3.91 4.45 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 0.00 0.00 1.28 0.00 0.00 24 F 8.61 4.18 0.00 3.17 3.46 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 0.00 0.00 0.00 0.00 25 C 9.03 4.00 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 26 V 8.05 3.66 2.24 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 0.99 0.00 0.00 0.94 0.00 0.00 27 A 7.99 4.10 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 28 V 7.61 3.58 1.71 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 0.43 0.00 0.00 0.75 0.00 0.00 29 W 8.09 3.82 0.00 3.56 3.38 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 30 V 8.04 3.68 2.24 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 1.05 0.00 0.00 1.02 0.00 0.00 31 Y 8.19 4.03 0.00 3.05 3.09 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 0.00 0.00 0.00 32 M 8.38 3.86 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 33 A 8.45 4.64 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.80 4.59 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 1.24 0.00 0.00 35 Q 7.89 4.41 0.00 0.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.26 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 36 I 7.11 4.36 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.51 0.00 0.00 37 G 8.16 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.61 3.57 1.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.37 -0.26 0.00 0.00 39 E 8.30 4.18 0.00 1.83 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 0.00 2.25 2.45 0.00 40 W 8.69 4.26 0.00 3.32 3.22 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 41 N 8.08 4.13 0.00 2.76 2.84 0.00 0.00 7.19 8.98 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 42 P 0.00 4.52 0.00 2.23 2.08 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.47 4.16 0.00 3.85 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 44 P 0.00 4.34 0.00 2.22 2.09 0.00 3.66 0.00 0.00 3.70 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 45 V 7.53 3.66 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.16 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.59 0.00 1.86 1.99 0.00 3.03 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 1.53 1.56 0.00 48 V 7.71 4.27 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 0.94 0.00 0.00 49 T 8.38 4.32 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 50 P 0.00 4.43 0.00 2.08 2.04 0.00 3.64 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 2.05 2.10 0.00 51 K 8.27 4.68 0.00 1.69 1.68 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.91 4.03 0.00 1.96 1.77 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 2.30 2.22 0.00 53 W 7.87 4.71 0.00 3.59 3.20 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 0.00 0.00 0.00 54 R 6.72 3.07 0.00 0.67 1.19 0.00 3.16 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.87 0.00