NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4099 8.3044 118.1941 54.7264 32.5657 174.7577 2 V 3.3972 8.4443 120.1520 65.3130 31.3900 174.8940 3 I 4.4153 7.9764 125.3501 59.5348 39.5327 174.6048 4 A 4.6947 9.4984 129.4216 50.4625 21.1411 177.5807 5 T 3.8627 8.4918 115.9494 67.2665 68.1284 176.6691 6 D 4.3769 8.0298 118.9735 57.1024 40.9276 177.8484 7 D 4.5216 8.1740 118.5995 56.0944 41.2262 176.8668 8 L 4.7034 8.0069 119.0625 55.3472 43.6336 176.1264 9 E 5.1766 7.8187 114.0850 55.5430 32.1241 174.4678 10 T 4.7770 9.1810 111.4750 59.7197 72.8901 173.0305 11 T 4.3877 8.3758 119.0698 63.4207 69.2215 174.2594 12 C 4.2964 9.0930 128.6168 59.0422 32.3097 172.4029 13 P 4.5565 0.0000 0.0000 63.9174 31.4878 176.3868 14 N 4.6849 8.0807 116.3983 54.4099 39.5343 175.2933 15 C 4.5931 7.8772 109.1261 56.8702 31.5587 173.1606 16 N 4.0707 9.1664 116.5881 53.1490 37.2088 171.9380 17 G 4.4394 8.1792 115.5469 45.9567 0.0000 174.1747 18 S 3.9803 7.8977 113.6429 59.2785 63.0956 175.1473 19 G 4.1636 8.2282 107.0452 46.4254 0.0000 172.4141 20 R 4.9855 7.8818 116.8552 54.1611 33.2651 175.8666 21 E 4.6227 8.7628 121.5174 55.9538 29.4200 174.0676 22 E 3.6783 7.2746 117.7496 54.0392 30.3053 175.5882 23 P 4.6677 0.0000 0.0000 62.6913 31.9475 175.2458 24 E 4.6985 7.6478 118.3103 53.8069 32.0061 173.4849 25 P 4.5039 0.0000 0.0000 62.8656 32.1265 176.0389 26 C 4.2168 11.0600 121.8887 58.7294 30.6389 172.4871 27 P 4.2500 0.0000 0.0000 65.9799 31.0262 178.5060 28 K 4.1279 8.2213 117.6389 58.2626 32.0238 177.2658 29 C 4.5726 7.5956 109.3950 57.0403 30.4958 174.3107 30 L 3.7031 8.7114 119.4308 55.9634 39.1245 175.7933 31 G 4.0613 8.2656 108.5203 45.6344 0.0000 176.6021 32 K 3.8691 7.4640 118.6913 57.7233 32.2521 178.4034 33 G 4.4857 8.5927 105.1850 46.3087 0.0000 172.7126 34 V 5.7060 7.5389 111.0825 58.4696 35.6463 174.7452 35 I 4.6251 8.1506 115.8535 58.9031 40.9172 174.6402 36 L 4.8069 8.4060 122.9058 54.9600 42.6216 176.9189 37 T 4.4027 8.2452 112.0586 60.4796 70.9386 175.6974 38 A 3.9639 8.5955 122.9632 55.2271 18.2779 179.5603 39 Q 3.9736 8.1005 117.7012 59.2190 29.1577 178.4137 40 G 3.6911 8.2252 106.8499 48.0059 0.0000 175.3843 41 S 4.1198 8.3481 116.3292 61.2506 62.3745 176.2838 42 T 3.9002 8.1943 118.5673 66.7855 68.2439 176.6155 43 L 4.0782 8.0240 120.7049 57.6408 41.6038 179.3748 44 L 3.9748 8.2369 120.5066 58.5192 42.1203 178.4236 45 H 4.1300 8.5641 118.4465 59.1011 29.6371 176.8476 46 F 4.2511 8.3807 122.4253 61.4371 39.2878 177.1162 47 I 3.5431 8.0132 119.1568 64.4241 36.7676 178.2955 48 K 3.7929 8.0502 118.2165 59.8236 31.9936 178.8892 49 K 3.9440 7.7522 118.3089 58.7370 32.0795 176.9024 50 H 4.7106 7.3656 111.8438 54.7666 30.7177 175.0866 51 I 3.3965 7.9628 119.9418 62.4640 37.8794 172.9726 52 H 4.0457 7.2336 118.5025 53.7505 25.3161 174.6278 53 E 4.7779 8.1565 119.5902 56.8859 28.7604 177.9210 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 4.41 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 2.54 0.00 2 V 8.44 3.40 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 0.77 0.00 0.00 0.92 0.00 0.00 3 I 7.98 4.42 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.91 0.00 0.00 4 A 9.50 4.69 1.26 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 0.00 0.00 0.00 5 T 8.49 3.86 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 8.03 4.38 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 8.17 4.52 0.00 2.87 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 8.01 4.70 0.00 1.72 1.70 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.82 5.18 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 10 T 9.18 4.78 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 8.38 4.39 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 12 C 9.09 4.30 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 4.56 0.00 2.22 2.15 0.00 3.80 0.00 0.00 3.76 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 8.08 4.68 0.00 2.71 2.90 0.00 0.00 6.79 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 7.88 4.59 0.00 3.15 3.04 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 16 N 9.17 4.07 0.00 2.80 2.80 0.00 0.00 7.41 7.26 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 17 G 8.18 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.98 0.00 3.99 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 8.23 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 20 R 7.88 4.99 0.00 1.77 1.99 0.00 3.32 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 21 E 8.76 4.62 0.00 1.81 1.80 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 2.20 2.24 0.00 22 E 7.27 3.68 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 23 P 0.00 4.67 0.00 2.17 2.13 0.00 3.73 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 1.95 1.97 0.00 24 E 7.65 4.70 0.00 1.99 1.87 0.00 0.00 0.00 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 2.24 0.00 25 P 0.00 4.50 0.00 2.03 2.01 0.00 3.68 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 2.04 2.10 0.00 26 C 11.06 4.22 0.00 3.02 2.86 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 0.00 0.00 0.00 27 P 0.00 4.25 0.00 2.25 2.30 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 28 K 8.22 4.13 0.00 1.77 1.94 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 C 7.60 4.57 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 3.70 0.00 1.82 1.84 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.27 4.06 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 0.00 0.00 0.00 32 K 7.46 3.87 0.00 1.84 1.89 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.39 7.81 33 G 8.59 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 5.71 2.18 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 0.83 0.00 0.00 0.93 0.00 0.00 35 I 8.15 4.63 1.87 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 1.35 0.95 0.91 0.00 0.00 36 L 8.41 4.81 0.00 1.56 1.65 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.25 4.40 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 8.60 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.97 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.23 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.35 4.12 0.00 4.06 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 42 T 8.19 3.90 4.41 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 1.21 0.00 0.00 43 L 8.02 4.08 0.00 1.74 1.77 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.24 3.97 0.00 1.86 1.77 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.56 4.13 0.00 3.37 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.38 4.25 0.00 3.28 3.32 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 47 I 8.01 3.54 1.89 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 1.92 0.77 0.88 0.00 0.00 48 K 8.05 3.79 0.00 1.88 1.83 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 49 K 7.75 3.94 0.00 1.68 1.75 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.95 1.28 7.81 50 H 7.37 4.71 0.00 2.81 3.02 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.96 3.40 1.92 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 1.26 0.57 0.89 0.00 0.00 52 H 7.23 4.05 0.00 3.24 3.38 0.00 5.88 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.16 4.78 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00