NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9105 8.3393 109.7291 45.4170 0.0000 173.9721 2 N 4.4591 8.0506 120.6510 50.3697 40.4460 173.7218 3 D 4.3368 8.6619 124.9695 56.1135 41.4095 178.8826 4 Y 4.1780 7.5790 118.7415 59.4545 38.6068 177.3488 5 E 4.1918 6.9673 119.7521 58.8002 29.6753 178.1160 6 D 4.4926 8.7800 119.2697 57.7708 41.3136 178.7408 7 R 3.3920 8.7822 118.7937 58.6047 29.8124 178.3219 8 Y 4.0812 8.0985 119.6723 61.0075 38.6152 177.3729 9 Y 2.8284 8.5146 120.8626 59.9300 38.8263 177.2371 10 R 3.8002 8.7336 120.6336 58.7148 29.7905 177.4262 11 E 4.0454 7.8017 117.5114 56.9464 29.4311 177.4515 12 N 4.1158 8.5567 117.6061 56.6398 38.7389 176.2464 13 M 3.1194 7.4502 119.9480 57.7986 31.7400 177.3609 14 Y 4.4529 8.9709 119.1163 58.0860 38.5518 176.7909 15 R 3.9190 8.7973 119.9768 59.2462 31.2964 176.5414 16 Y 4.3649 8.4509 122.1028 57.6173 38.3581 174.5630 17 P 4.7539 0.0000 0.0000 62.9228 29.4014 173.9820 18 N 4.1479 8.4203 123.3960 54.6096 38.9188 177.1290 19 Q 3.5966 7.3429 122.6786 57.3607 29.5413 176.9538 20 V 3.8239 9.4176 122.6031 62.6489 35.7460 173.7985 21 Y 4.0372 7.2082 117.5473 59.1348 37.7573 175.9453 22 Y 3.9078 8.1266 115.0201 58.7095 36.5927 170.8372 23 R 4.8715 8.7365 123.8015 57.3732 28.2671 175.3768 24 P 4.2573 0.0000 0.0000 63.8298 31.2953 177.5226 25 V 3.4222 8.2893 115.9409 61.7846 30.3885 171.8219 26 C 4.2470 7.8190 125.4155 60.5737 31.6670 173.3650 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 G 8.34 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.05 4.46 0.00 2.27 2.84 0.00 0.00 6.40 7.22 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 3 D 8.66 4.34 0.00 2.74 2.79 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 0.00 0.00 0.00 4 Y 7.58 4.18 0.00 3.20 3.23 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 5 E 6.97 4.19 0.00 1.72 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 2.29 2.16 0.00 6 D 8.78 4.49 0.00 2.89 2.75 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 0.00 0.00 0.00 7 R 8.78 3.39 0.00 2.04 1.97 0.00 3.33 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 8 Y 8.10 4.08 0.00 2.91 3.17 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 9 Y 8.51 2.83 0.00 2.94 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 10 R 8.73 3.80 0.00 1.96 1.84 0.00 3.16 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 11 E 7.80 4.05 0.00 2.00 1.69 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 1.92 2.12 0.00 12 N 8.56 4.12 0.00 1.84 2.53 0.00 0.00 7.13 7.70 0.00 0.00 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 M 7.45 3.12 0.00 1.72 1.88 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.88 0.00 14 Y 8.97 4.45 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.80 3.92 0.00 2.11 2.10 0.00 3.43 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.96 0.00 16 Y 8.45 4.36 0.00 3.22 2.80 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 17 P 0.00 4.75 0.00 2.15 2.09 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 18 N 8.42 4.15 0.00 2.21 1.78 0.00 0.00 7.07 7.62 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 19 Q 7.34 3.60 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 5.11 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 20 V 9.42 3.82 1.92 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 0.58 0.00 0.00 0.70 0.00 0.00 21 Y 7.21 4.04 0.00 2.94 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 22 Y 8.13 3.91 0.00 2.98 3.01 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 23 R 8.74 4.87 0.00 1.85 2.45 0.00 3.06 0.00 0.00 3.92 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.76 0.00 24 P 0.00 4.26 0.00 2.49 2.34 0.00 4.19 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.06 0.00 25 V 8.29 3.42 1.07 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 0.39 0.00 0.00 -0.58 0.00 0.00 26 C 7.82 4.25 0.00 2.80 2.77 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