NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4462 8.1633 120.3487 54.9714 32.9109 175.7493 2 K 3.8920 8.6812 127.4069 58.6531 32.0095 173.9644 3 V 3.5533 7.9428 118.2866 65.9208 31.9255 177.4741 4 K 3.9085 7.9947 118.6891 59.7148 32.1298 178.5195 5 Q 4.0243 8.0254 118.1944 59.0377 28.5272 178.9035 6 L 4.0435 8.2200 120.1593 57.6853 41.6427 179.2550 7 E 3.9573 8.5604 119.0386 59.6958 29.4213 179.2457 8 D 4.3874 8.2437 118.8158 57.0467 40.7338 178.9888 9 V 3.5633 7.8072 118.9420 65.9439 31.5415 178.1454 10 V 3.5684 8.0134 118.1859 66.1217 31.3741 177.6405 11 E 3.9419 8.2144 118.1699 59.6102 29.3008 179.1125 12 E 3.9758 8.2555 119.1321 59.2814 29.6993 178.8686 13 L 4.0458 8.2965 119.3012 57.5500 41.5414 179.3923 14 L 4.0622 8.1728 119.2918 57.8155 41.4535 179.7213 15 S 4.1532 8.0278 115.1183 61.5310 62.7978 176.5960 16 V 3.6592 7.9977 121.0490 66.4415 31.2067 177.9166 17 N 4.3836 8.3108 115.9570 56.2184 38.3696 176.7363 18 Y 4.1747 8.2966 121.2032 61.2257 38.9111 178.1169 19 H 4.0332 8.4703 117.0795 58.7529 28.7090 177.8578 20 L 3.9898 8.1064 120.8570 57.7275 41.4551 179.2052 21 E 3.9015 8.5657 118.9108 59.6971 29.3899 179.3272 22 N 4.2213 7.8307 116.2818 56.0165 38.4520 177.6497 23 V 3.5220 7.7297 119.7065 65.9496 31.5678 178.1380 24 V 3.5313 8.0349 118.0150 66.1185 31.3517 177.8688 25 A 3.9656 8.0121 120.3801 55.0716 18.1642 179.6510 26 R 3.8301 8.1446 117.3589 59.5032 30.1465 178.7813 27 L 4.0007 8.2982 119.2842 57.6975 41.5170 179.5633 28 K 3.9433 8.4122 118.9084 59.3445 31.4173 179.3169 29 K 3.9344 8.0865 119.9959 59.1849 31.8691 178.6628 30 L 3.9718 7.6385 119.9100 57.9422 42.1950 178.6176 31 V 4.0980 7.8259 108.9413 60.4134 32.1897 175.8715 32 G 3.7622 7.6990 105.7468 46.9413 0.0000 173.3177 33 E 4.6803 8.3332 118.9723 53.8148 32.3131 175.4318 34 R 4.1865 8.4036 123.0386 56.4664 30.3644 175.3055 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 M 8.16 4.45 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 2 K 8.68 3.89 0.00 1.92 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 3 V 7.94 3.55 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 1.11 0.00 0.00 0.93 0.00 0.00 4 K 7.99 3.91 0.00 1.90 1.93 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.59 7.81 5 Q 8.03 4.02 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 6 L 8.22 4.04 0.00 1.88 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.56 3.96 0.00 2.15 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 2.33 2.49 0.00 8 D 8.24 4.39 0.00 2.87 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 V 7.81 3.56 2.24 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 1.08 0.00 0.00 0.96 0.00 0.00 10 V 8.01 3.57 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 0.98 0.00 0.00 0.99 0.00 0.00 11 E 8.21 3.94 0.00 2.16 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 2.52 2.46 0.00 12 E 8.26 3.98 0.00 2.21 2.06 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 2.32 2.42 0.00 13 L 8.30 4.05 0.00 1.87 1.71 0.93 0.86 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 L 8.17 4.06 0.00 1.89 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.03 4.15 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.66 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.99 0.00 0.00 17 N 8.31 4.38 0.00 2.97 2.87 0.00 0.00 6.69 7.10 0.00 0.00 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 8.30 4.17 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.03 0.00 3.24 3.31 0.00 5.67 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 3.99 0.00 1.82 1.70 0.93 0.80 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 21 E 8.57 3.90 0.00 2.00 1.91 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 2.31 2.52 0.00 22 N 7.83 4.22 0.00 2.73 2.73 0.00 0.00 6.69 7.75 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 23 V 7.73 3.52 2.20 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 1.05 0.00 0.00 0.91 0.00 0.00 24 V 8.03 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 1.02 0.00 0.00 0.98 0.00 0.00 25 A 8.01 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.83 0.00 1.98 2.05 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 27 L 8.30 4.00 0.00 1.81 1.69 0.91 0.83 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 K 8.41 3.94 0.00 1.92 2.03 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.58 7.81 29 K 8.09 3.93 0.00 1.83 1.94 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 30 L 7.64 3.97 0.00 1.78 1.84 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.83 4.10 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 1.00 0.00 0.00 32 G 7.70 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.33 4.68 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 34 R 8.40 4.19 0.00 1.76 1.73 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00