NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2262 8.2649 123.5821 50.8233 19.8835 176.1571 7 P 4.1352 0.0000 0.0000 61.3122 31.6996 174.3576 8 D 4.8290 9.0404 125.8099 52.2439 43.0898 176.0386 9 F 4.0046 8.8731 119.0435 62.3510 39.2814 177.6757 10 H 4.2855 8.1818 115.3222 58.8315 28.3659 177.3537 11 D 4.3001 8.5728 120.1700 57.3132 40.7761 178.8410 12 K 3.7454 7.5507 117.2336 59.0444 32.3333 178.3570 13 Y 4.7077 7.8292 114.9515 57.5652 38.4726 178.0560 14 G 3.6513 8.1417 108.2461 48.0349 0.0000 175.2942 15 N 4.2511 8.3170 119.1240 56.0685 38.5534 177.1993 16 A 4.0305 7.9228 121.2326 54.8719 18.5807 179.4428 17 V 3.5380 8.0042 116.9588 66.1856 31.6068 177.8261 18 L 4.0131 8.1909 119.7602 58.2885 42.0240 178.9346 19 A 4.0250 8.0602 120.4735 55.1588 18.3352 179.6933 20 S 4.1827 8.6456 114.2094 61.7246 62.9787 176.7908 21 G 3.9153 8.8649 108.9877 48.2827 0.0000 175.3358 22 A 4.1797 8.2272 123.7081 54.8130 18.3959 180.0011 23 T 3.8720 7.9645 114.0065 66.7147 68.5828 176.5781 24 F 4.2177 8.6187 122.9702 61.6657 39.3865 176.3644 25 C 3.9823 8.7055 118.4355 62.8698 31.3235 175.9341 26 V 3.6506 7.9941 119.2439 65.7876 31.0727 177.9042 27 A 4.0245 7.9731 120.7302 55.1825 18.2276 180.0704 28 V 3.5166 7.8201 118.0009 64.6904 31.4202 178.6898 29 W 3.9629 8.2980 119.7109 59.2165 28.9802 178.7135 30 V 3.6643 8.1781 118.4672 66.1049 31.0009 177.3212 31 Y 4.0083 8.1335 119.2217 60.9388 38.4889 177.3459 32 M 3.8025 8.2968 118.1050 59.0449 32.3553 177.9801 33 A 4.7580 8.3544 119.1591 54.2316 18.7590 177.9087 34 T 4.6119 7.8219 103.9778 61.1931 70.2533 174.6335 35 Q 4.4807 8.0687 119.5877 55.4807 29.5079 175.5737 36 I 4.3671 7.3287 108.7023 60.0813 38.4648 175.3468 37 G 3.7696 8.2418 107.3362 46.7551 0.0000 173.9495 38 I 3.6173 7.5638 119.8378 60.3680 37.7282 175.3389 39 E 4.3719 8.1676 125.8018 54.4038 29.6818 175.6393 40 W 4.2338 8.7824 127.0287 57.3925 30.1581 175.9414 41 N 4.1097 8.2658 116.3015 53.9316 36.6511 170.8319 42 P 4.6274 0.0000 0.0000 61.5180 33.2202 176.6352 43 S 4.1833 8.3817 113.2644 58.0892 62.6943 172.5443 44 P 4.3714 0.0000 0.0000 64.3131 31.5450 176.5941 45 V 3.6365 7.4535 118.9007 64.2074 31.4928 176.0010 46 G 4.0007 9.0072 114.2660 45.9427 0.0000 173.7016 47 R 4.4261 8.6008 115.7954 55.9992 31.4777 176.1855 48 V 4.2266 7.5937 117.0801 61.0545 33.0151 174.7892 49 T 4.3157 8.3299 123.8824 61.7611 68.8206 173.0572 50 P 4.4429 0.0000 0.0000 62.5438 32.0320 175.9737 51 K 4.6393 8.1908 120.5710 54.1672 35.0871 175.6747 52 E 3.7785 8.5641 121.3481 56.5832 29.4453 176.8608 53 W 4.6308 8.2481 120.5503 57.0090 30.3577 175.7209 54 R 3.7451 6.8002 122.4515 56.0523 29.3370 175.5619 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 6 A 8.26 4.23 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 7 P 0.00 4.14 0.00 2.07 2.01 0.00 3.91 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 8 D 9.04 4.83 0.00 2.92 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 9 F 8.87 4.00 0.00 3.23 2.96 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 0.00 0.00 0.00 10 H 8.18 4.29 0.00 3.39 3.41 0.00 5.68 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 11 D 8.57 4.30 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.55 3.75 0.00 0.79 0.85 0.00 1.39 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.18 1.42 7.81 13 Y 7.83 4.71 0.00 2.09 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.14 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.32 4.25 0.00 2.73 2.92 0.00 0.00 6.90 7.54 0.00 0.00 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 A 7.92 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.00 3.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.15 0.00 0.00 18 L 8.19 4.01 0.00 1.92 1.85 0.95 1.25 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 19 A 8.06 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 4.18 0.00 4.09 3.95 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 21 G 8.86 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 0.00 0.00 0.00 22 A 8.23 4.18 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 23 T 7.96 3.87 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 24 F 8.62 4.22 0.00 3.07 3.29 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 0.00 0.00 0.00 0.00 25 C 8.71 3.98 0.00 3.19 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 26 V 7.99 3.65 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 0.98 0.00 0.00 0.95 0.00 0.00 27 A 7.97 4.02 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 28 V 7.82 3.52 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 0.60 0.00 0.00 0.69 0.00 0.00 29 W 8.30 3.96 0.00 3.54 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 3.66 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 1.06 0.00 0.00 1.00 0.00 0.00 31 Y 8.13 4.01 0.00 3.13 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 32 M 8.30 3.80 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 33 A 8.35 4.76 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.82 4.61 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 35 Q 8.07 4.48 0.00 1.05 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.10 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 36 I 7.33 4.37 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.54 0.00 0.00 37 G 8.24 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.56 3.62 1.62 0.00 0.00 0.63 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 0.39 -0.25 0.00 0.00 39 E 8.17 4.37 0.00 1.83 1.76 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 2.18 2.41 0.00 40 W 8.78 4.23 0.00 3.35 3.26 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 41 N 8.27 4.11 0.00 2.84 2.85 0.00 0.00 7.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.63 0.00 2.24 2.09 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 S 8.38 4.18 0.00 3.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.37 0.00 2.22 2.08 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.45 3.64 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.01 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 0.00 0.00 0.00 47 R 8.60 4.43 0.00 1.82 2.01 0.00 3.11 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 48 V 7.59 4.23 2.09 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.33 4.32 4.26 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 1.23 0.00 0.00 50 P 0.00 4.44 0.00 2.09 2.04 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 51 K 8.19 4.64 0.00 1.75 1.74 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.56 3.78 0.00 1.94 1.86 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 2.31 2.26 0.00 53 W 8.25 4.63 0.00 3.51 3.15 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 0.00 0.00 0.00 54 R 6.80 3.75 0.00 0.67 0.66 0.00 2.92 0.00 0.00 2.98 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.10 0.00