NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2866 8.3044 120.3226 54.4157 33.3311 174.1348 2 K 3.5835 8.5831 122.7586 54.3837 31.7457 174.3827 3 P 4.3734 0.0000 0.0000 61.7641 30.9538 173.9325 4 V 3.9723 7.7757 125.3421 62.8679 31.1063 175.8853 5 T 4.7258 8.9613 118.6492 60.6679 70.0184 175.6740 6 L 3.8481 9.0787 121.6094 58.5875 41.4731 179.3449 7 Y 4.3699 7.9060 115.9538 61.3364 37.6119 178.7764 8 D 4.3876 8.1601 119.5725 57.6282 41.0129 179.2200 9 V 3.6986 7.9089 112.1571 64.2290 31.5252 178.3221 10 A 3.9989 8.4030 120.7860 55.2753 18.0838 179.2526 11 E 3.9643 8.5037 115.9595 60.0657 29.7034 178.9163 12 Y 4.1092 7.7879 117.4131 60.5490 38.9240 177.4896 13 A 4.2274 8.4003 121.5232 55.0735 18.6524 178.3238 14 G 4.2401 8.0845 106.0461 45.8881 0.0000 173.8406 15 V 4.5611 7.5155 110.8278 58.2253 36.1895 175.8237 16 S 4.5638 8.3182 116.5947 57.9457 65.3289 174.7371 17 Y 4.0994 8.7405 122.4370 60.3413 37.2397 178.6775 18 Q 3.2898 7.3646 120.6924 59.2271 29.2451 178.4523 19 T 3.7575 7.2143 115.6297 66.7159 68.0700 177.0504 20 V 3.5427 7.5792 119.7757 65.6473 31.3928 177.9704 21 S 3.9269 8.0424 113.1817 61.4199 62.1703 175.9206 22 R 4.9131 7.9526 119.6577 56.3140 29.2879 178.5478 23 V 3.6309 7.3082 120.3968 65.3905 31.6878 177.1505 24 V 3.9258 6.9954 117.0160 64.2447 32.2978 175.1811 25 N 4.9656 8.5002 116.7592 52.3986 42.2236 174.3101 26 Q 3.3247 8.8434 120.0481 56.5867 27.4215 173.4672 27 A 4.5678 8.1391 118.5877 52.4389 18.5231 177.7411 28 S 4.3073 8.5792 113.5881 59.6590 65.4606 175.5820 29 H 3.9198 8.7571 121.8876 56.8131 25.2313 176.9699 30 V 4.1752 7.1524 116.0982 59.3738 32.9930 176.6475 31 S 4.5380 8.3091 122.5708 57.2382 65.4299 174.2815 32 A 3.9160 8.5406 123.2037 56.3268 17.8263 179.7557 33 K 3.9446 7.8853 116.4806 59.2666 32.6513 179.4191 34 T 3.8647 7.8013 109.9327 64.7878 68.7140 176.4155 35 R 3.8744 8.5721 122.1211 59.0320 30.0214 178.1701 36 E 3.9541 8.3726 118.4903 59.5284 29.3594 179.5696 37 K 3.9691 8.5927 118.8252 59.4315 32.0856 179.6168 38 V 3.6239 7.7039 118.2936 65.9228 31.2153 178.0210 39 E 4.1182 8.3813 117.7667 59.5050 29.4974 178.5527 40 A 4.0687 8.5500 121.2385 54.3895 18.4063 179.0905 41 A 4.0741 8.6657 118.0703 55.9761 18.4454 179.7379 42 M 3.9623 8.2334 115.4634 58.2967 32.0467 178.5161 43 A 4.3778 7.9149 119.4642 54.4237 19.8282 178.3494 44 E 4.0471 8.2918 114.9180 58.5246 29.8516 177.5156 45 L 4.6946 8.1997 117.5110 52.7658 44.4676 176.8055 46 N 4.6917 8.2607 120.5511 50.6124 36.2745 172.6937 47 Y 4.0467 8.0302 126.4189 59.3980 40.4205 174.7614 48 I 4.0451 7.6123 127.2063 58.4979 38.9084 172.9299 49 P 4.5185 0.0000 0.0000 64.0912 31.0787 176.5169 50 N 4.7503 9.8269 122.4543 52.8256 36.8879 174.8162 51 R 4.2312 7.4154 120.7497 56.2581 31.0010 174.9340 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 4.29 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 2 K 8.58 3.58 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 P 0.00 4.37 0.00 2.35 2.05 0.00 3.80 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 1.96 1.93 0.00 4 V 7.78 3.97 2.10 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 1.13 0.00 0.00 0.97 0.00 0.00 5 T 8.96 4.73 4.56 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 1.37 0.00 0.00 6 L 9.08 3.85 0.00 1.80 1.80 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.91 4.37 0.00 2.65 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 8 D 8.16 4.39 0.00 3.01 2.77 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 9 V 7.91 3.70 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 0.85 0.00 0.00 0.86 0.00 0.00 10 A 8.40 4.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 3.96 0.00 2.01 2.14 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 2.44 2.57 0.00 12 Y 7.79 4.11 0.00 3.05 3.25 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 0.00 13 A 8.40 4.23 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 14 G 8.08 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 0.00 0.00 0.00 0.00 15 V 7.52 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 16 S 8.32 4.56 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.74 4.10 0.00 2.85 3.05 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 0.00 0.00 0.00 18 Q 7.36 3.29 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 19 T 7.21 3.76 4.32 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 0.00 0.00 0.00 1.24 0.00 0.00 20 V 7.58 3.54 2.02 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 0.83 0.00 0.00 0.89 0.00 0.00 21 S 8.04 3.93 0.00 3.82 3.75 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 0.00 0.00 0.00 0.00 22 R 7.95 4.91 0.00 1.94 2.07 0.00 3.13 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 23 V 7.31 3.63 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 0.75 0.00 0.00 0.95 0.00 0.00 24 V 7.00 3.93 2.18 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 0.86 0.00 0.00 0.88 0.00 0.00 25 N 8.50 4.97 0.00 2.68 2.62 0.00 0.00 6.80 7.78 0.00 0.00 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 Q 8.84 3.32 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.97 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 27 A 8.14 4.57 1.25 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 0.00 0.00 0.00 28 S 8.58 4.31 0.00 3.73 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 29 H 8.76 3.92 0.00 3.31 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.15 4.18 2.04 0.00 0.00 0.00 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 0.90 0.00 0.00 31 S 8.31 4.54 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 3.92 1.30 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 0.00 0.00 33 K 7.89 3.94 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 34 T 7.80 3.86 4.23 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 1.20 0.00 0.00 35 R 8.57 3.87 0.00 1.96 1.99 0.00 3.09 0.00 0.00 3.34 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 36 E 8.37 3.95 0.00 2.26 1.99 0.00 0.00 0.00 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 2.50 0.00 37 K 8.59 3.97 0.00 1.97 1.96 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.60 7.81 38 V 7.70 3.62 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 0.90 0.00 0.00 1.00 0.00 0.00 39 E 8.38 4.12 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 40 A 8.55 4.07 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 41 A 8.67 4.07 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.23 3.96 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.92 0.00 43 A 7.91 4.38 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 44 E 8.29 4.05 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 45 L 8.20 4.69 0.00 1.45 1.43 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.26 4.69 0.00 2.79 2.83 0.00 0.00 5.98 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 47 Y 8.03 4.05 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 48 I 7.61 4.05 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.20 0.77 0.00 0.00 49 P 0.00 4.52 0.00 1.86 2.08 0.00 3.46 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 50 N 9.83 4.75 0.00 2.80 3.23 0.00 0.00 6.99 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.42 4.23 0.00 1.68 1.74 0.00 3.36 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 1.53 1.66 0.00