NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3781 8.3001 118.1927 54.5628 32.6173 174.5735 2 A 3.9436 8.1858 121.5838 50.8694 18.9092 175.8317 3 L 4.1970 8.1188 122.8741 55.1456 43.8475 175.6093 4 T 4.4616 9.3174 116.3413 59.9225 72.1073 175.6467 5 D 3.9730 8.2976 120.5222 57.9415 40.7374 179.0817 6 T 3.8603 7.8220 115.3051 67.1866 68.5264 176.3727 7 Q 4.0828 7.8050 119.2937 58.6073 28.5437 179.0709 8 V 3.5216 7.2007 119.6357 66.1074 31.6244 177.6654 9 Y 4.4065 7.6310 116.6470 61.3104 37.7388 178.8317 10 V 3.6540 8.3671 119.3051 65.9213 31.5713 177.9604 11 A 3.9855 7.9925 120.2628 55.0688 18.0317 179.4102 12 L 3.9548 7.9803 116.6219 58.0528 42.0586 179.7364 13 V 3.7454 7.8922 117.8547 66.2327 31.5343 178.1936 14 I 3.7520 7.8612 119.2419 64.2115 36.7247 178.1818 15 A 4.0763 8.1363 121.6931 55.0777 18.0570 179.5931 16 L 3.9730 7.9523 117.6567 57.5869 41.5185 179.2547 17 L 3.9495 7.9575 120.8086 57.7705 42.0964 177.3822 18 P 4.3169 0.0000 0.0000 65.0733 31.2656 178.2360 19 A 3.9615 7.6886 121.3370 55.1592 18.2910 179.6076 20 V 3.5588 7.9033 116.7721 66.3538 31.6959 178.3216 21 L 4.0171 8.2272 118.2307 57.4553 41.3074 179.4006 22 A 4.0704 8.2088 121.3163 54.7895 18.3827 179.3403 23 F 3.9991 8.4918 119.4677 61.4842 39.4876 177.6072 24 R 3.9305 8.4339 117.8546 59.2448 29.9391 178.8428 25 L 3.9407 8.0148 120.3486 58.0448 41.8492 179.1645 26 S 4.0780 7.9585 113.6446 61.6833 63.1666 176.3756 27 T 3.9066 7.6742 113.4869 64.1587 68.2387 176.2100 28 E 3.9176 7.8490 121.6146 58.8207 29.7183 178.3092 29 L 3.7651 7.4883 117.8893 55.0786 41.9806 176.9816 30 Y 4.5490 7.0460 114.4658 56.7853 38.4835 169.3172 31 K 3.9828 8.6443 121.3485 57.1667 32.1101 176.4554 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 8.30 4.38 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 2 A 8.19 3.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.20 0.00 1.57 1.53 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.32 4.46 4.18 0.00 0.00 0.00 0.00 0.00 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 5 D 8.30 3.97 0.00 2.55 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 3.86 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 7 Q 7.81 4.08 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 8 V 7.20 3.52 1.88 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 1.11 0.00 0.00 0.87 0.00 0.00 9 Y 7.63 4.41 0.00 3.17 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 10 V 8.37 3.65 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 1.03 0.00 0.00 1.03 0.00 0.00 11 A 7.99 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.95 0.00 1.89 1.80 1.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 3.75 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 1.04 0.00 0.00 0.98 0.00 0.00 14 I 7.86 3.75 2.00 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 1.47 0.62 0.92 0.00 0.00 15 A 8.14 4.08 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.95 3.97 0.00 1.85 1.73 0.91 0.24 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 L 7.96 3.95 0.00 1.87 1.67 0.93 0.92 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 18 P 0.00 4.32 0.00 2.32 2.30 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.04 0.00 19 A 7.69 3.96 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.90 3.56 2.22 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 1.13 0.00 0.00 0.90 0.00 0.00 21 L 8.23 4.02 0.00 1.75 1.73 0.93 0.65 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 22 A 8.21 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.00 0.00 3.18 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 3.93 0.00 2.08 1.99 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 25 L 8.01 3.94 0.00 1.75 1.64 0.87 0.66 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 26 S 7.96 4.08 0.00 3.98 3.92 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 27 T 7.67 3.91 4.12 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 0.51 0.00 0.00 28 E 7.85 3.92 0.00 2.06 2.05 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 2.23 2.20 0.00 29 L 7.49 3.77 0.00 1.75 1.63 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.05 4.55 0.00 2.94 3.23 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 0.00 0.00 0.00 0.00 31 K 8.64 3.98 0.00 1.63 1.60 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.43 7.81