NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3129 8.1127 119.7066 56.6114 32.5924 177.2057 2 M 3.8123 8.0812 116.7648 57.8124 32.0993 176.4128 3 K 4.2401 8.7134 121.9230 59.1548 32.8319 178.1506 4 Q 3.9781 8.0325 117.9156 58.5609 28.5509 178.3716 5 L 3.9070 7.9417 121.4570 58.2705 41.7124 178.7065 6 E 3.9513 8.5226 118.9464 59.6637 29.3718 179.1553 7 D 4.4145 8.3594 118.9025 57.3766 40.8172 179.1164 8 K 3.9842 8.1129 118.9677 59.4262 31.9748 179.5963 9 V 3.5811 8.0790 118.7901 66.0294 31.3722 177.9852 10 E 3.9677 8.4744 118.5658 59.1300 29.3087 178.6523 11 E 3.9082 8.3049 119.4929 59.2955 29.5992 178.4779 12 L 3.9088 8.0368 120.1664 58.3642 42.0863 178.7181 13 L 3.8535 8.2113 120.3434 58.2160 41.9866 178.9117 14 S 4.2544 8.3969 113.2363 61.2836 62.2803 176.3380 15 K 4.0763 8.3046 121.1676 59.2091 31.6888 179.2419 16 A 3.9639 8.3556 121.5213 55.4289 18.3039 179.3267 17 Y 4.1781 8.2229 115.5875 61.3478 37.8077 178.2671 18 H 4.2338 8.5127 119.2039 59.3499 29.9488 177.2490 19 L 4.0518 8.3469 121.1872 57.7269 41.4490 179.0153 20 E 3.9268 8.4590 119.4040 59.5744 29.6040 178.7439 21 N 4.3849 8.3450 116.3335 56.4053 38.5308 177.3184 22 E 3.9644 8.4228 120.2991 59.3497 29.4208 179.6139 23 V 3.5570 8.2293 118.5546 65.8197 31.7025 178.0041 24 A 3.9956 8.0982 120.6585 55.1221 18.1955 179.8616 25 R 3.8897 8.0792 116.6008 59.3722 30.1733 179.3246 26 L 3.9697 8.1304 118.9305 57.6421 41.4059 179.2457 27 K 3.8937 8.1216 118.8525 59.6291 32.0968 178.3521 28 K 4.1090 7.7784 118.4434 59.2921 32.1717 178.6080 29 L 4.1257 7.6402 118.6840 57.6330 41.6757 177.8101 30 V 3.8910 8.1683 121.7231 63.2003 31.6303 175.3776 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 R 8.11 4.31 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 2 M 8.08 3.81 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.72 0.00 3 K 8.71 4.24 0.00 1.90 1.79 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.45 7.81 4 Q 8.03 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 5 L 7.94 3.91 0.00 1.85 1.85 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.52 3.95 0.00 2.14 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 2.34 2.57 0.00 7 D 8.36 4.41 0.00 2.83 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 K 8.11 3.98 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 9 V 8.08 3.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.95 0.00 0.00 10 E 8.47 3.97 0.00 2.03 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 2.57 2.47 0.00 11 E 8.30 3.91 0.00 2.04 2.15 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 2.32 2.34 0.00 12 L 8.04 3.91 0.00 1.85 1.85 0.90 0.57 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 13 L 8.21 3.85 0.00 1.78 1.83 0.68 1.16 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 14 S 8.40 4.25 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 15 K 8.30 4.08 0.00 2.02 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 A 8.36 3.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 4.18 0.00 3.16 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 18 H 8.51 4.23 0.00 3.33 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.35 4.05 0.00 1.85 1.69 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.46 3.93 0.00 2.15 2.23 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 2.37 2.39 0.00 21 N 8.34 4.38 0.00 2.94 2.87 0.00 0.00 7.10 7.28 0.00 0.00 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 E 8.42 3.96 0.00 2.07 1.95 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 2.22 2.21 0.00 23 V 8.23 3.56 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 1.10 0.00 0.00 0.98 0.00 0.00 24 A 8.10 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 3.89 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 26 L 8.13 3.97 0.00 1.95 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.12 3.89 0.00 1.84 2.02 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 28 K 7.78 4.11 0.00 1.81 2.00 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.52 7.81 29 L 7.64 4.13 0.00 1.85 1.71 0.92 0.98 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 30 V 8.17 3.89 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 0.78 0.00 0.00 0.94 0.00 0.00