NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3334 8.3144 120.1339 56.3995 34.3198 174.3026 2 S 4.2698 8.6699 113.2358 56.6354 63.9419 172.5151 3 C 4.7127 9.7308 110.9936 59.3197 35.5812 174.4263 4 C 4.7837 7.8746 115.7780 57.8630 29.9336 173.7518 5 S 4.6238 7.8825 116.8477 58.9060 63.3746 175.4251 6 C 4.2818 8.0641 114.9490 59.9399 30.1875 173.7285 7 C 4.6852 7.6951 116.2028 57.4507 29.5955 170.6062 8 P 4.5302 0.0000 0.0000 63.4670 31.2856 176.8651 9 V 3.6151 8.0203 122.2865 65.2043 30.8863 173.5600 10 G 3.8636 7.7453 107.0375 45.4026 0.0000 172.9163 11 C 4.0437 8.0793 119.7867 59.6640 31.9340 173.0569 12 S 4.5790 8.4295 116.3466 59.5803 63.8314 176.1380 13 K 4.1867 8.0262 118.2901 59.0209 32.3301 177.3450 14 C 4.4532 7.9585 112.5835 59.7486 28.2304 174.1547 15 A 4.1408 8.1901 124.6391 54.6426 18.1733 178.4178 16 Q 4.4221 8.2305 113.5605 56.6797 31.1888 175.8029 17 G 4.0920 7.7486 104.9579 43.2623 0.0000 171.6578 18 C 4.2476 8.8006 125.5527 59.5176 32.1795 173.3209 19 V 4.2011 8.1292 124.5586 62.3988 32.7519 176.2151 20 C 4.2695 8.0162 118.6195 59.8321 28.3866 173.3138 21 K 4.3149 8.6180 123.5145 57.9415 33.0751 178.4859 22 G 3.5146 8.1825 106.7323 48.2761 0.0000 173.9891 23 A 4.0747 8.3933 127.6982 52.0258 17.1465 178.8433 24 A 4.7500 7.9052 113.4253 52.0423 19.5490 175.5640 25 D 4.6795 7.7301 114.1045 54.5862 43.4797 175.0621 26 K 4.6673 7.6652 117.3152 55.3494 35.5686 174.8428 27 C 4.9854 8.5136 115.6873 56.8038 32.2994 173.3972 28 T 4.6655 8.3665 109.5423 61.6761 68.7949 174.7225 29 C 4.7507 8.2820 117.4482 59.3372 31.6352 173.9801 30 C 4.6635 8.0800 116.2380 59.3204 28.4158 173.4063 31 A 4.3002 8.0757 128.2312 52.3465 18.7560 177.9167 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 K 8.31 4.33 0.00 1.76 1.82 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 2 S 8.67 4.27 0.00 3.86 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.73 4.71 0.00 3.05 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 4 C 7.87 4.78 0.00 2.96 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 5 S 7.88 4.62 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.06 4.28 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.70 4.69 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.53 0.00 2.17 2.13 0.00 3.86 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 1.96 1.94 0.00 9 V 8.02 3.62 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 0.75 0.00 0.00 0.93 0.00 0.00 10 G 7.75 3.86 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 0.00 0.00 0.00 11 C 8.08 4.04 0.00 2.94 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 12 S 8.43 4.58 0.00 3.89 3.88 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 0.00 0.00 0.00 13 K 8.03 4.19 0.00 1.74 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.39 7.81 14 C 7.96 4.45 0.00 2.96 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 15 A 8.19 4.14 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.23 4.42 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 17 G 7.75 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 0.00 0.00 0.00 18 C 8.80 4.25 0.00 2.94 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 19 V 8.13 4.20 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 0.81 0.00 0.00 0.93 0.00 0.00 20 C 8.02 4.27 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.62 4.31 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.42 7.81 22 G 8.18 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.39 4.07 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.91 4.75 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 25 D 7.73 4.68 0.00 2.58 2.56 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 0.00 0.00 0.00 0.00 26 K 7.67 4.67 0.00 1.84 1.70 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.42 7.81 27 C 8.51 4.99 0.00 3.05 2.91 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 0.00 0.00 0.00 28 T 8.37 4.67 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 29 C 8.28 4.75 0.00 3.05 3.03 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 30 C 8.08 4.66 0.00 2.96 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 31 A 8.08 4.30 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00