NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9328 8.2127 109.7360 45.1411 0.0000 173.5133 2 I 3.3329 8.3337 117.7034 63.4782 37.1103 172.7208 3 V 3.4873 8.3437 119.9116 65.9851 31.7553 177.3341 4 E 3.8213 7.9667 117.6231 59.4533 29.5526 178.5372 5 Q 3.9552 8.2207 119.8858 59.8424 28.8042 178.2983 6 C 4.3364 8.0101 115.7874 59.8731 40.2191 175.3574 7 C 4.1951 7.4483 119.5705 62.2653 31.3539 175.1489 8 T 4.1960 7.8972 109.9876 62.0794 69.1179 175.1923 9 S 4.2653 8.0100 113.3866 56.9678 62.5862 174.6685 10 I 4.1060 8.1771 105.4035 60.8357 39.8596 172.6838 11 C 5.1238 8.5847 115.6362 53.3087 39.3086 173.6213 12 S 4.9403 8.7205 115.3162 56.6566 66.0373 175.2673 13 L 3.9685 8.2908 122.3064 58.0670 41.0508 179.4803 14 Y 4.0325 7.7503 115.7775 61.0547 38.1687 177.7895 15 Q 4.2566 8.4109 119.0663 59.0605 28.7341 178.9237 16 L 4.2432 8.0065 119.5969 57.5989 41.6354 179.0003 17 E 3.9809 8.0666 119.0565 58.7698 29.2965 178.3447 18 N 4.3274 7.9505 115.2584 55.5342 38.5476 175.6224 19 Y 4.1893 7.6862 116.2696 56.9424 38.6728 175.6250 20 C 4.4285 7.1087 117.8143 59.4891 29.0391 173.5266 21 N 4.5285 8.5510 118.0943 53.7401 38.2440 175.3558 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 3.93 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 0.00 0.00 0.00 2 I 8.33 3.33 1.43 0.00 0.00 0.89 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 0.98 -0.05 0.00 0.00 3 V 8.34 3.49 2.01 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 0.96 0.00 0.00 0.79 0.00 0.00 4 E 7.97 3.82 0.00 2.22 1.96 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 2.38 2.40 0.00 5 Q 8.22 3.96 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 6 C 8.01 4.34 0.00 2.96 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 7 C 7.45 4.20 0.00 2.98 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 8 T 7.90 4.20 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 8.01 4.27 0.00 3.84 3.75 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 0.00 0.00 0.00 10 I 8.18 4.11 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 1.48 0.48 0.91 0.00 0.00 11 C 8.58 5.12 0.00 3.18 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 12 S 8.72 4.94 0.00 4.23 4.09 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 0.00 0.00 0.00 0.00 13 L 8.29 3.97 0.00 1.36 1.53 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.75 4.03 0.00 3.03 3.07 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 15 Q 8.41 4.26 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 16 L 8.01 4.24 0.00 1.90 1.76 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.07 3.98 0.00 2.22 2.01 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 2.31 2.33 0.00 18 N 7.95 4.33 0.00 2.61 2.50 0.00 0.00 6.93 8.40 0.00 0.00 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 7.69 4.19 0.00 3.14 3.12 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 20 C 7.11 4.43 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 21 N 8.55 4.53 0.00 2.72 2.72 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