NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0270 8.2127 109.7458 45.2154 0.0000 173.7168 2 I 2.9312 7.7348 117.5603 63.1200 37.2924 172.9348 3 V 3.5181 8.2948 120.0338 66.0247 31.6870 177.3586 4 E 3.9825 7.9957 116.8494 59.1336 29.6968 178.4769 5 Q 4.2136 8.4353 119.7656 58.0990 29.1168 176.2351 6 C 5.1586 8.2248 113.4167 56.1194 41.1800 174.0012 7 C 4.2689 7.7292 117.8801 60.9249 29.0137 175.4800 8 T 4.1126 7.9749 109.1874 63.9062 68.8506 174.9286 9 S 4.7134 7.4112 114.4019 55.7318 66.8095 173.1327 10 I 3.8898 8.2470 123.4145 61.1491 38.3646 176.0846 11 C 4.9129 8.5651 125.3791 56.0019 42.6059 174.3279 12 S 4.5339 8.9190 119.4476 57.7633 65.1028 175.5688 13 L 4.0189 8.4003 121.3904 57.8995 41.0532 178.9724 14 Y 4.0665 8.0782 118.2683 61.0587 39.2022 177.9687 15 Q 4.0931 8.2811 118.8014 58.9027 28.7352 178.7012 16 L 4.3217 8.2942 120.0128 57.5179 41.6994 179.0973 17 E 3.9795 7.9551 118.0880 58.6964 29.0817 178.5217 18 N 4.2429 7.6073 115.2776 54.9559 38.4616 175.0700 19 Y 4.6168 7.4442 116.6692 57.6918 38.5012 175.6952 20 C 4.4397 7.5374 118.0457 59.2595 29.0151 173.5725 21 N 4.5240 8.5546 118.2154 53.7587 38.1768 175.2981 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 G 8.21 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 2.93 0.56 0.00 0.00 0.57 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 1.04 0.58 0.00 0.00 3 V 8.29 3.52 2.03 0.00 0.00 0.00 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 0.86 0.00 0.00 4 E 8.00 3.98 0.00 2.09 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 2.31 2.42 0.00 5 Q 8.44 4.21 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 6 C 8.22 5.16 0.00 3.03 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 7 C 7.73 4.27 0.00 3.01 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 8 T 7.97 4.11 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 1.26 0.00 0.00 9 S 7.41 4.71 0.00 3.93 3.74 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 10 I 8.25 3.89 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.93 0.00 0.00 11 C 8.57 4.91 0.00 3.04 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 12 S 8.92 4.53 0.00 4.13 4.07 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 0.00 0.00 0.00 0.00 13 L 8.40 4.02 0.00 1.77 1.80 0.95 0.70 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 14 Y 8.08 4.07 0.00 2.94 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 15 Q 8.28 4.09 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 16 L 8.29 4.32 0.00 1.91 1.79 0.95 0.80 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 17 E 7.96 3.98 0.00 1.97 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 2.30 2.54 0.00 18 N 7.61 4.24 0.00 2.20 2.23 0.00 0.00 6.86 6.74 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 19 Y 7.44 4.62 0.00 2.97 2.96 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 20 C 7.54 4.44 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.55 4.52 0.00 2.71 2.73 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00