NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 F 4.6524 8.3244 115.8539 56.4089 39.4218 174.6910 7 N 4.3035 8.5312 119.7083 52.1498 39.2191 173.7391 8 M 4.2918 8.5553 128.8527 58.4840 32.7809 177.0718 9 Q 3.9958 8.1493 119.8436 59.5772 29.1718 177.8338 10 C 4.3481 8.5032 116.8256 60.1889 40.9923 175.8120 11 Q 4.0888 8.2214 120.6165 59.2267 28.5751 178.5476 12 R 4.0427 8.5484 119.5170 59.4923 30.1531 179.2834 13 R 3.9872 8.3182 117.9185 59.0136 29.9310 178.9194 14 F 4.3491 8.6277 120.7339 61.6541 39.4081 176.5730 15 Y 3.4886 8.1450 119.0899 60.3968 38.4475 177.5980 16 E 3.8626 8.5924 120.2441 59.3257 29.5763 178.7520 17 A 3.9747 7.9015 119.6334 54.9268 18.4816 179.0220 18 L 3.8218 7.6816 118.3421 57.6233 42.1198 177.9164 19 H 4.6985 7.1076 112.5738 54.0321 29.4291 174.1004 20 D 4.3491 7.4777 122.7884 53.5484 40.9916 175.0577 21 P 4.4556 0.0000 0.0000 64.8102 31.6976 176.5296 22 N 4.7628 8.7439 116.5719 53.0801 38.4761 174.5355 23 L 4.9308 7.2947 117.1278 52.7142 44.6207 176.5853 24 N 4.7718 8.5605 120.4135 51.2571 40.5208 175.8018 25 E 3.8787 8.5942 120.0168 59.6422 29.4643 178.2225 26 E 3.9203 8.1634 118.4750 59.5452 29.6991 178.7004 27 Q 4.0257 8.7480 118.3886 58.6446 28.6319 178.6612 28 R 3.8458 8.1333 119.8774 59.5606 30.2135 178.2765 29 N 4.3134 8.3328 116.1188 56.2545 38.5353 177.2939 30 A 3.9871 8.0465 122.0853 55.0599 18.5423 179.6242 31 K 3.9329 8.3123 118.4116 59.7202 32.1976 179.1412 32 I 3.8592 8.1207 120.4148 64.2049 37.0576 178.3020 33 K 3.9329 8.2191 120.5209 59.6930 32.0264 179.0656 34 S 4.1746 8.2175 115.4068 61.6381 62.4922 176.7749 35 I 3.7635 7.6926 121.7287 64.2386 36.9037 178.0770 36 R 3.9868 8.0628 119.0748 59.5376 29.9869 177.9075 37 D 4.5707 8.0089 117.3181 56.3417 41.0669 176.6493 38 D 4.7908 7.6694 117.0700 52.9755 41.2639 173.6114 39 C 4.8546 7.9726 117.7855 55.9883 42.0714 173.3232 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 F 8.32 4.65 0.00 3.19 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 7 N 8.53 4.30 0.00 2.89 2.83 0.00 0.00 6.51 6.77 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 8 M 8.56 4.29 0.00 2.11 1.85 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 2.74 2.67 0.00 9 Q 8.15 4.00 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 10 C 8.50 4.35 0.00 3.26 3.19 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 11 Q 8.22 4.09 0.00 2.41 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 12 R 8.55 4.04 0.00 2.21 2.04 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 13 R 8.32 3.99 0.00 2.09 2.06 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 14 F 8.63 4.35 0.00 3.08 3.41 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 15 Y 8.15 3.49 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 16 E 8.59 3.86 0.00 2.26 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 2.32 2.51 0.00 17 A 7.90 3.97 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 18 L 7.68 3.82 0.00 1.08 1.26 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19 H 7.11 4.70 0.00 2.81 3.11 0.00 5.91 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.48 4.35 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.20 2.14 0.00 3.78 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 1.97 1.97 0.00 22 N 8.74 4.76 0.00 2.80 2.87 0.00 0.00 6.76 7.48 0.00 0.00 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 L 7.29 4.93 0.00 1.61 1.52 0.90 0.93 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 24 N 8.56 4.77 0.00 3.00 2.95 0.00 0.00 6.58 7.73 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 25 E 8.59 3.88 0.00 2.04 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 2.38 2.38 0.00 26 E 8.16 3.92 0.00 2.07 2.06 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 2.38 2.40 0.00 27 Q 8.75 4.03 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 28 R 8.13 3.85 0.00 2.02 1.90 0.00 3.02 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 29 N 8.33 4.31 0.00 2.99 2.86 0.00 0.00 6.98 6.68 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 30 A 8.05 3.99 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 31 K 8.31 3.93 0.00 1.98 1.84 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 32 I 8.12 3.86 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.70 1.06 0.00 0.00 33 K 8.22 3.93 0.00 1.92 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.48 7.81 34 S 8.22 4.17 0.00 4.08 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 35 I 7.69 3.76 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 1.00 0.00 0.00 36 R 8.06 3.99 0.00 1.99 2.02 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 37 D 8.01 4.57 0.00 2.71 2.70 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 0.00 0.00 0.00 0.00 38 D 7.67 4.79 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.85 0.00 3.15 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