NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2540 8.1727 121.7884 56.4882 34.4658 177.5739 3 V 3.4066 7.7994 117.9889 65.4823 31.3617 176.4160 4 K 3.9470 8.8306 119.0498 59.6665 32.3664 178.7053 5 Q 3.9924 7.9406 117.7206 58.9987 28.6543 178.7399 6 L 4.0345 8.3076 120.4186 57.6323 41.5461 179.6880 7 V 3.5801 8.1853 118.7100 66.0094 31.3768 177.6665 8 D 4.3621 8.3019 118.7793 57.4668 40.5883 179.0925 9 K 3.9548 8.0389 118.8070 59.3433 31.9819 179.5413 10 V 3.5731 7.9583 118.5553 66.1872 31.4551 177.9444 11 E 3.9443 8.4500 118.5217 59.2558 29.3401 179.0263 12 E 3.9263 8.3675 119.6028 59.3816 29.6819 178.9546 13 L 4.0655 8.2166 119.2247 57.7489 41.6169 179.5289 14 L 4.0451 8.1876 119.2208 57.6265 41.3851 179.5933 15 S 4.1659 8.2965 115.4231 61.5293 62.7451 176.8789 16 K 4.0736 8.0756 120.9556 59.3264 31.7327 178.6799 17 N 4.2675 8.4484 117.6631 57.0574 38.8187 176.0279 18 Y 4.0736 8.1039 120.6285 61.2689 38.8932 178.0228 19 H 4.1985 8.1339 117.0383 58.5618 28.7559 177.7930 20 L 3.9505 8.1092 120.9332 57.8979 41.4292 179.6904 21 V 3.5318 8.0727 118.4837 66.1486 31.3017 177.8414 22 N 4.2123 7.9422 116.1882 56.0664 38.2889 177.3368 23 E 3.9492 8.0044 120.1587 59.1744 29.4500 179.4857 24 V 3.5267 7.9950 118.2100 65.9507 31.6488 177.7175 25 A 3.9379 8.1864 120.8673 55.3455 17.9202 179.6562 26 R 3.9169 7.5285 115.5828 59.5558 30.5080 178.4736 27 L 4.1483 8.0486 119.1184 57.7243 41.7726 179.8873 28 V 3.7083 8.1423 119.5752 64.2907 31.1276 178.1259 29 K 4.1759 7.5164 116.6443 58.7374 32.5206 178.2416 30 L 4.2566 7.6858 119.3973 56.1320 41.9007 176.6937 31 V 3.7592 7.4550 122.8512 63.0314 31.4479 175.3557 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 2 K 8.17 4.25 0.00 1.85 1.87 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.50 7.81 3 V 7.80 3.41 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 1.07 0.00 0.00 0.93 0.00 0.00 4 K 8.83 3.95 0.00 1.88 1.84 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.59 7.81 5 Q 7.94 3.99 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 6 L 8.31 4.03 0.00 1.80 1.71 0.92 0.84 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 7 V 8.19 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 1.11 0.00 0.00 0.94 0.00 0.00 8 D 8.30 4.36 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.04 3.95 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 10 V 7.96 3.57 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 1.11 0.00 0.00 0.98 0.00 0.00 11 E 8.45 3.94 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 2.32 2.49 0.00 12 E 8.37 3.93 0.00 2.10 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 2.36 0.00 13 L 8.22 4.07 0.00 1.87 1.71 0.93 0.94 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 L 8.19 4.05 0.00 1.82 1.72 0.92 0.87 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 15 S 8.30 4.17 0.00 4.07 3.97 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 0.00 0.00 0.00 16 K 8.08 4.07 0.00 2.02 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.65 7.81 17 N 8.45 4.27 0.00 2.91 3.02 0.00 0.00 6.86 8.41 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 18 Y 8.10 4.07 0.00 3.14 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 19 H 8.13 4.20 0.00 3.41 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.11 3.95 0.00 1.87 1.71 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.07 3.53 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 1.05 0.00 0.00 0.99 0.00 0.00 22 N 7.94 4.21 0.00 2.75 2.69 0.00 0.00 7.01 7.71 0.00 0.00 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 E 8.00 3.95 0.00 2.15 1.98 0.00 0.00 0.00 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 2.45 0.00 24 V 8.00 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 25 A 8.19 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.53 3.92 0.00 1.84 2.12 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 27 L 8.05 4.15 0.00 1.73 1.69 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.14 3.71 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 0.82 0.00 0.00 0.92 0.00 0.00 29 K 7.52 4.18 0.00 1.98 1.97 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.52 7.81 30 L 7.69 4.26 0.00 1.75 1.75 0.91 0.70 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 31 V 7.46 3.76 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.01 0.00 0.00