NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4532 8.3044 118.1940 54.8095 32.6302 175.1603 2 V 3.4449 8.4199 120.0621 64.8649 31.7228 174.6002 3 I 4.4389 7.8822 121.5772 59.5309 40.1246 174.1538 4 A 4.5918 9.1411 129.5632 50.6319 21.1567 177.9049 5 T 3.8842 8.4993 115.0580 67.3200 68.1749 176.7515 6 D 4.7731 8.0416 118.1032 56.9100 40.9115 177.7971 7 D 4.5273 7.9906 118.3225 56.0164 41.1912 176.7942 8 L 4.6798 8.1894 119.6196 55.7992 43.7640 176.2048 9 E 5.2467 7.8177 113.8456 55.5475 32.3549 174.7825 10 T 4.7621 8.9055 110.4340 59.7839 72.6967 173.1688 11 T 4.2317 8.7507 118.9783 64.5146 69.2584 173.2648 12 C 4.3869 9.1277 127.5460 58.9114 32.1395 172.7803 13 P 4.4429 0.0000 0.0000 65.0603 31.6671 177.2886 14 N 4.5136 8.2126 116.3535 55.2976 38.7575 175.3024 15 C 4.6465 7.9184 109.8240 56.8189 30.5297 173.2867 16 N 4.3318 9.1881 116.9433 55.0034 36.1203 174.7753 17 G 4.1154 8.3203 104.6487 44.8790 0.0000 176.6189 18 S 4.2232 7.7003 113.8463 59.3890 63.4188 175.7240 19 G 4.0079 7.7956 106.5705 45.9961 0.0000 172.8489 20 R 5.0589 8.0041 117.4143 54.3568 33.7209 175.6154 21 E 4.6044 8.8423 121.0487 53.3314 29.6286 173.6974 22 E 4.1832 8.2845 119.6143 56.3970 30.3587 175.3501 23 P 4.6979 0.0000 0.0000 62.7695 31.7214 175.2314 24 E 4.7375 7.9160 118.6463 53.7741 32.2097 173.8530 25 P 4.6498 0.0000 0.0000 62.6926 32.0749 175.7846 26 C 4.2616 8.9272 121.5156 58.7777 31.8655 173.0759 27 P 4.4020 0.0000 0.0000 65.2732 31.4691 177.8307 28 K 4.1283 8.1369 118.3228 58.5844 32.3743 177.2938 29 C 4.6653 7.9782 110.8930 56.9560 29.9617 173.6231 30 L 3.6100 8.6908 117.9127 56.2997 38.2887 175.6891 31 G 3.9831 8.2430 105.4477 45.7417 0.0000 176.4443 32 K 3.9617 7.9817 119.9143 57.2544 32.5036 179.0830 33 G 3.9638 8.7116 106.1781 45.1916 0.0000 172.8539 34 V 5.1577 7.1592 111.2562 59.4756 35.6905 174.9298 35 I 4.6004 8.6300 116.9301 59.0493 40.4299 174.9493 36 L 4.7937 8.4003 123.6477 54.9055 42.7606 176.8869 37 T 4.3434 8.4853 112.7968 60.6386 70.7375 175.5630 38 A 3.9391 8.6151 122.6028 55.3477 18.2366 179.5174 39 Q 3.9709 8.0859 117.7561 59.1025 29.1218 178.5206 40 G 3.5982 7.9930 106.4545 47.9280 0.0000 175.7775 41 S 4.1070 8.1914 118.2212 61.4901 62.8606 176.7314 42 T 3.8680 8.0337 118.5150 66.8694 68.2484 176.5683 43 L 4.0686 8.0099 120.4710 57.6104 41.5882 179.3119 44 L 3.9690 8.2371 120.4484 58.5372 42.1046 178.3642 45 H 4.0823 8.7098 116.6144 59.0954 28.3645 177.3385 46 F 4.2154 8.3694 121.9538 61.4770 39.3678 177.1472 47 I 3.5484 7.9752 119.3075 64.4031 36.7075 178.6247 48 K 3.9587 8.0831 118.3145 59.3047 31.9141 179.1049 49 K 4.0537 7.8461 119.0418 58.5473 32.2954 177.0688 50 H 4.7715 7.3313 113.6429 55.0662 29.8079 174.9555 51 I 3.5562 7.5593 121.6664 64.6087 37.6414 176.1884 52 H 4.7340 8.0367 114.9320 55.5343 28.6788 174.9452 53 E 4.2272 8.0661 124.0305 56.7220 29.5031 174.7202 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 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 V 8.42 3.44 2.07 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 0.78 0.00 0.00 0.92 0.00 0.00 3 I 7.88 4.44 1.87 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 1.34 0.77 0.91 0.00 0.00 4 A 9.14 4.59 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.50 3.88 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 6 D 8.04 4.77 0.00 2.64 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.53 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.68 0.00 1.73 1.70 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.82 5.25 0.00 2.00 1.88 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 2.35 2.30 0.00 10 T 8.91 4.76 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 11 T 8.75 4.23 4.24 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 0.00 0.00 0.00 1.27 0.00 0.00 12 C 9.13 4.39 0.00 2.97 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 13 P 0.00 4.44 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 14 N 8.21 4.51 0.00 2.72 2.92 0.00 0.00 6.73 7.66 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 15 C 7.92 4.65 0.00 3.12 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 16 N 9.19 4.33 0.00 2.81 2.87 0.00 0.00 7.37 8.58 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 17 G 8.32 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 0.00 0.00 0.00 18 S 7.70 4.22 0.00 3.95 4.01 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 19 G 7.80 4.01 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 0.00 0.00 0.00 20 R 8.00 5.06 0.00 1.76 1.89 0.00 3.27 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 21 E 8.84 4.60 0.00 1.92 1.75 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 2.19 2.25 0.00 22 E 8.28 4.18 0.00 1.99 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 2.33 2.28 0.00 23 P 0.00 4.70 0.00 2.17 2.12 0.00 3.72 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 1.96 1.98 0.00 24 E 7.92 4.74 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 25 P 0.00 4.65 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 26 C 8.93 4.26 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.40 0.00 2.22 2.17 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 28 K 8.14 4.13 0.00 1.77 1.91 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.58 7.81 29 C 7.98 4.67 0.00 3.24 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 30 L 8.69 3.61 0.00 1.81 1.79 0.93 1.03 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 31 G 8.24 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.98 3.96 0.00 2.17 1.87 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.43 7.81 33 G 8.71 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.16 5.16 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 0.74 0.00 0.00 0.97 0.00 0.00 35 I 8.63 4.60 1.88 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 1.38 1.24 0.96 0.00 0.00 36 L 8.40 4.79 0.00 1.56 1.64 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.49 4.34 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 38 A 8.62 3.94 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 39 Q 8.09 3.97 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 G 7.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.11 0.00 3.91 3.70 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 42 T 8.03 3.87 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 1.20 0.00 0.00 43 L 8.01 4.07 0.00 1.86 1.77 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.24 3.97 0.00 1.87 1.76 0.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.71 4.08 0.00 3.47 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.37 4.22 0.00 3.10 3.24 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 0.00 0.00 0.00 0.00 47 I 7.98 3.55 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.25 0.90 0.00 0.00 48 K 8.08 3.96 0.00 1.91 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 49 K 7.85 4.05 0.00 1.78 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.00 1.32 7.81 50 H 7.33 4.77 0.00 2.71 3.00 0.00 5.69 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.56 3.56 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.86 0.00 0.00 52 H 8.04 4.73 0.00 3.17 3.29 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.07 4.23 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00