NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4105 8.2893 120.3500 55.0878 34.1454 175.7879 2 P 4.4238 0.0000 0.0000 61.2996 33.4069 172.1831 3 G 4.1594 8.3197 106.3513 44.8136 0.0000 173.2640 4 T 4.2149 8.2617 112.4762 63.1784 66.6210 176.3079 5 I 3.0513 7.3970 116.4092 61.5283 34.1765 172.7690 6 K 4.1919 8.1163 116.6615 56.4823 33.7059 172.7586 7 E 3.6564 8.7230 127.2778 56.3172 27.4416 174.2628 8 N 4.9827 7.2414 121.9203 52.1423 39.5414 175.3491 9 I 3.6332 7.6627 118.9590 63.2900 37.6107 177.0314 10 I 3.3780 7.0080 121.5520 60.7436 38.2068 176.3591 11 F 4.4949 7.9686 120.4560 57.2570 37.0532 176.4960 12 G 4.1794 7.4974 105.4154 45.5076 0.0000 172.6596 13 V 3.9915 7.3312 118.2244 62.1329 31.9604 176.4515 14 S 3.5846 7.5498 111.9300 60.9361 60.2034 170.7829 15 Y 4.5565 8.2929 125.2951 59.9154 38.2701 175.7538 16 D 4.4746 8.0506 116.3351 54.6755 40.4007 173.1695 17 E 5.1004 8.7152 120.3318 57.5678 36.8759 175.8849 18 Y 4.1032 8.7466 115.9218 60.8609 37.8305 178.4240 19 R 4.4943 7.1541 116.5816 56.1771 30.7599 175.0028 20 Y 4.9072 7.7283 112.1163 56.8580 40.5146 175.4546 21 R 4.7582 7.6709 119.0781 54.4656 30.2762 174.4220 22 S 5.2719 7.1770 107.5170 58.8685 65.0298 176.8986 23 V 4.3411 8.1015 117.8686 63.9213 33.9985 176.9316 24 I 4.6409 7.5738 118.3313 60.4780 37.9838 175.6558 25 K 4.4656 7.4857 116.1709 55.5281 32.5241 175.2556 26 A 4.0684 8.1500 125.7727 52.7570 18.5743 177.7924 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 8.29 4.41 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 P 0.00 4.42 0.00 2.29 2.08 0.00 3.76 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 1.98 2.03 0.00 3 G 8.32 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.26 4.21 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 1.19 0.00 0.00 5 I 7.40 3.05 1.84 0.00 0.00 0.82 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 0.51 0.87 0.00 0.00 6 K 8.12 4.19 0.00 1.74 1.65 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.29 7.81 7 E 8.72 3.66 0.00 2.10 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 2.16 2.25 0.00 8 N 7.24 4.98 0.00 2.64 2.55 0.00 0.00 7.03 7.79 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 9 I 7.66 3.63 1.79 0.00 0.00 0.82 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 0.45 0.84 0.00 0.00 10 I 7.01 3.38 1.80 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 1.38 1.25 0.90 0.00 0.00 11 F 7.97 4.49 0.00 3.14 2.91 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 12 G 7.50 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 3.99 2.11 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 0.17 0.00 0.00 0.73 0.00 0.00 14 S 7.55 3.58 0.00 3.96 3.79 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 15 Y 8.29 4.56 0.00 3.07 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 16 D 8.05 4.47 0.00 2.63 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 17 E 8.72 5.10 0.00 2.14 2.17 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 2.39 2.39 0.00 18 Y 8.75 4.10 0.00 2.98 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 19 R 7.15 4.49 0.00 1.47 1.16 0.00 3.11 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00 20 Y 7.73 4.91 0.00 3.29 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.76 0.00 1.78 1.86 0.00 3.43 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 22 S 7.18 5.27 0.00 3.82 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 23 V 8.10 4.34 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 0.98 0.00 0.00 0.94 0.00 0.00 24 I 7.57 4.64 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.92 0.00 0.00 25 K 7.49 4.47 0.00 1.67 1.70 0.00 1.95 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.44 7.81 26 A 8.15 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00