NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.4150 8.4131 119.1914 52.1740 40.9720 175.0809 2 G 3.6646 8.1068 105.1292 44.8440 0.0000 171.3872 3 N 4.6659 8.6575 119.2786 52.7832 40.7416 173.4737 4 I 3.3216 7.5964 121.9012 62.2773 36.8994 173.5142 5 N 3.8697 7.2525 123.2630 53.3544 35.9183 173.5893 6 W 4.7587 8.2728 120.3721 56.9042 29.3634 177.1125 7 N 4.5222 7.8189 117.3319 55.2303 38.7982 175.5067 8 S 4.1613 8.1126 114.8447 58.4533 63.3205 172.0272 9 P 4.4380 0.0000 0.0000 64.0823 31.7129 176.8875 10 C 4.1333 8.9557 122.1646 61.4513 27.7723 175.3730 11 L 3.8459 7.8719 120.1937 58.0811 41.4485 178.9608 12 G 3.8668 8.1988 104.7665 47.9258 0.0000 175.5170 13 G 3.6985 7.9041 105.8397 46.9232 0.0000 174.5839 14 M 4.1845 6.8861 117.9867 56.5438 32.6972 177.4872 15 A 4.1105 7.3517 120.0396 51.2194 19.2118 176.7941 16 S 4.3127 7.0959 115.5446 59.4089 67.5417 174.2637 17 G 3.5195 8.3467 109.0626 43.7999 0.0000 172.1822 18 P 3.9965 0.0000 0.0000 65.8051 31.0518 177.6690 19 C 4.7463 7.7081 113.8984 56.2711 41.6147 175.5576 20 G 3.4509 7.8334 109.7916 47.9068 0.0000 176.0942 21 E 3.7989 8.0161 119.6121 59.1698 29.3493 179.1513 22 Q 3.9911 7.9714 119.1079 58.4744 28.6014 178.3683 23 F 3.6590 7.9584 121.3512 60.9458 39.5554 176.9266 24 K 3.2648 7.8735 118.3292 59.5976 31.8638 179.2338 25 S 4.0285 8.3733 113.1888 61.1445 62.2809 175.9719 26 A 3.4776 7.8364 123.6032 55.1271 17.9712 179.5301 27 F 4.2568 8.2152 119.5402 61.0350 39.3514 177.6892 28 S 3.6856 8.4221 114.3418 61.4083 62.6191 175.4899 29 C 4.0517 7.7553 121.1933 59.1236 44.7082 175.1869 30 F 4.3700 8.3998 122.0568 61.8369 38.8693 177.0278 31 H 3.3158 7.4778 114.1874 58.4935 28.4281 177.1814 32 Y 4.3881 7.9707 118.2831 60.2403 37.4995 177.4517 33 S 4.3997 8.1616 114.4344 60.0634 62.8513 176.1228 34 T 3.7136 7.7861 108.2754 62.1591 67.4984 173.5533 35 E 4.0456 7.3654 121.2850 59.2828 29.9477 176.5031 36 E 4.8360 7.6323 119.5021 56.4855 36.1365 175.8058 37 I 4.4817 7.1381 117.7456 58.6148 40.7761 173.7977 38 K 3.0072 8.2570 122.8695 57.4140 31.3089 176.4765 39 G 3.8179 8.7189 113.5675 46.0041 0.0000 174.1766 40 S 3.9721 7.6337 117.3720 60.4259 62.7117 174.8946 41 D 4.9256 8.0697 117.1599 53.2017 39.6463 176.9212 42 C 5.1005 8.6273 114.8906 56.3897 39.5238 176.3443 43 V 3.5841 7.9646 116.2029 64.4247 30.8995 177.6668 44 D 4.5323 8.2249 117.5695 57.3388 41.0016 178.2935 45 Q 3.9379 8.2786 118.6966 59.0302 28.7127 178.6316 46 F 4.0453 8.3299 118.3681 60.2795 38.9709 177.5847 47 R 3.9038 8.7517 118.7450 59.4502 29.8555 178.4703 48 A 4.0502 8.2787 120.7231 55.2370 18.2462 179.2985 49 M 3.9400 8.1071 116.8114 58.8394 32.2650 178.2926 50 Q 3.9792 8.2989 118.2688 59.1642 28.7773 178.3763 51 E 3.9671 8.4004 119.6367 59.2745 29.6318 177.8564 52 C 4.3609 8.3340 118.2973 59.4753 43.9729 175.2367 53 M 4.0737 8.2721 119.9132 57.4128 31.4752 178.4526 54 Q 4.1009 8.2724 117.6186 58.6740 28.7628 178.1906 55 K 4.1793 7.3770 119.8816 57.3202 32.1891 176.1954 56 Y 4.9705 7.5469 115.6117 55.6052 39.9159 173.5431 57 P 4.4454 0.0000 0.0000 65.3264 32.4077 177.9338 58 D 4.2091 7.4911 115.3981 52.5200 41.3490 174.5235 59 L 4.5089 6.7340 119.5962 55.0589 44.0811 175.1734 60 Y 4.3409 6.5206 120.4727 57.7045 37.9782 174.6752 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 N 8.41 4.42 0.00 2.68 2.85 0.00 0.00 7.26 7.32 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 2 G 8.11 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.66 4.67 0.00 2.75 2.72 0.00 0.00 7.30 8.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.60 3.32 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.39 0.19 0.00 0.00 5 N 7.25 3.87 0.00 2.76 2.70 0.00 0.00 7.20 7.95 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 6 W 8.27 4.76 0.00 3.33 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.52 0.00 2.75 2.86 0.00 0.00 7.14 7.53 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 8 S 8.11 4.16 0.00 3.96 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 9 P 0.00 4.44 0.00 2.04 1.99 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 10 C 8.96 4.13 0.00 3.14 3.04 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 0.00 0.00 0.00 0.00 11 L 7.87 3.85 0.00 1.71 1.83 1.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.20 3.87 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 0.00 0.00 0.00 13 G 7.90 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 6.89 4.18 0.00 1.70 0.88 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 15 A 7.35 4.11 0.92 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 16 S 7.10 4.31 0.00 3.75 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 3.52 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 0.00 0.00 0.00 0.00 18 P 0.00 4.00 0.00 2.19 1.81 0.00 3.28 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 19 C 7.71 4.75 0.00 2.87 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 20 G 7.83 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.80 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 22 Q 7.97 3.99 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 23 F 7.96 3.66 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 3.26 0.00 1.72 1.61 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.08 1.16 7.81 25 S 8.37 4.03 0.00 3.87 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 26 A 7.84 3.48 -0.01 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 0.00 0.00 0.00 0.00 0.00 27 F 8.22 4.26 0.00 2.84 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 3.69 0.00 3.30 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.76 4.05 0.00 3.14 3.36 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 30 F 8.40 4.37 0.00 3.33 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 H 7.48 3.32 0.00 2.91 3.10 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.97 4.39 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.40 0.00 4.11 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 34 T 7.79 3.71 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 1.03 0.00 0.00 35 E 7.37 4.05 0.00 2.13 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 0.00 2.37 2.42 0.00 36 E 7.63 4.84 0.00 1.86 1.87 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 2.11 2.25 0.00 37 I 7.14 4.48 1.79 0.00 0.00 0.81 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 1.27 0.75 0.00 0.00 38 K 8.26 3.01 0.00 1.23 1.17 0.00 1.39 0.00 0.00 0.61 0.00 0.00 2.27 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.12 1.15 7.81 39 G 8.72 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 0.00 0.00 0.00 40 S 7.63 3.97 0.00 3.91 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 41 D 8.07 4.93 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.63 5.10 0.00 3.29 3.27 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 43 V 7.96 3.58 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 0.71 0.00 0.00 0.95 0.00 0.00 44 D 8.22 4.53 0.00 2.82 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 45 Q 8.28 3.94 0.00 2.35 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 46 F 8.33 4.05 0.00 3.25 3.09 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 0.00 0.00 0.00 0.00 47 R 8.75 3.90 0.00 1.97 2.11 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 48 A 8.28 4.05 1.39 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 0.00 0.00 49 M 8.11 3.94 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 50 Q 8.30 3.98 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.51 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 51 E 8.40 3.97 0.00 1.94 2.28 0.00 0.00 0.00 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 2.31 0.00 52 C 8.33 4.36 0.00 3.10 3.19 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 0.00 0.00 0.00 0.00 53 M 8.27 4.07 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 54 Q 8.27 4.10 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 55 K 7.38 4.18 0.00 0.79 1.02 0.00 1.48 0.00 0.00 1.38 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.31 7.81 56 Y 7.55 4.97 0.00 3.18 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 57 P 0.00 4.45 0.00 2.19 2.20 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 58 D 7.49 4.21 0.00 2.49 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 6.73 4.51 0.00 1.64 1.67 0.58 0.84 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 60 Y 6.52 4.34 0.00 2.99 2.76 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