NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1678 8.2549 120.8477 54.9468 30.3800 174.7029 2 P 4.0623 0.0000 0.0000 61.9148 32.0102 176.3335 3 D 4.3696 8.3817 121.3086 57.1810 41.6670 178.4782 4 F 4.4467 7.5749 114.0624 59.1547 37.9040 177.9250 5 C 4.4736 7.3866 116.5542 59.3129 40.0193 174.2276 6 L 4.1797 7.3789 118.5832 55.0725 41.8421 177.0197 7 E 4.2030 7.8164 119.3768 55.2987 29.9861 175.1310 8 P 4.5004 0.0000 0.0000 61.4090 32.3494 174.4896 9 P 3.7040 0.0000 0.0000 62.6413 31.5176 175.2410 10 Y 4.6240 7.7936 120.7083 56.1231 40.8157 175.4261 11 T 4.1200 8.3690 124.8043 66.2972 68.8158 175.9806 12 G 3.6170 6.9285 105.0449 43.9465 0.0000 171.0215 13 P 4.3658 0.0000 0.0000 63.8977 31.7547 177.2333 14 C 4.5742 7.7743 117.1139 56.6920 41.0839 173.4187 15 K 4.2685 8.2548 118.0580 56.3182 32.4196 176.5534 16 A 4.3855 7.6916 121.4947 51.0816 21.2316 177.3950 17 R 4.5272 8.3716 119.4116 54.5585 31.0786 173.7751 18 I 4.4688 8.3261 126.2249 59.1311 40.0977 174.5800 19 I 4.4466 8.2975 128.1087 60.4208 38.2821 175.2070 20 R 4.7876 8.1556 124.9495 54.5839 34.7480 173.5408 21 Y 5.6235 9.4848 117.3328 56.5192 41.0393 175.4620 22 F 5.5854 9.8354 117.2695 55.1391 41.8583 173.3926 23 A 4.4919 9.3695 122.9803 51.3270 19.8678 177.4433 24 N 4.7504 8.8502 123.0262 51.1446 37.9831 174.7376 25 A 3.9744 8.6042 126.9508 54.5556 19.0280 179.3849 26 K 4.0224 8.3155 115.6670 59.1841 32.3228 177.4741 27 A 4.2858 7.9934 118.9871 51.5155 19.2942 178.1217 28 G 4.1753 8.2636 103.4082 45.8769 0.0000 173.2191 29 L 4.8240 7.1861 118.5072 52.7237 45.8923 174.5372 30 C 5.1722 8.5543 117.4042 55.6145 39.4379 173.5859 31 Q 4.9380 8.6318 122.3681 54.0907 32.7633 174.8021 32 T 4.8137 8.5666 117.7671 63.5073 69.6038 174.0994 33 F 5.0459 9.0344 119.5674 55.5307 42.3703 173.3914 34 V 4.0346 8.3667 119.4446 61.9027 32.1312 174.1374 35 Y 4.5992 8.8899 131.3693 55.9996 39.8909 176.6529 36 G 3.5939 7.9853 114.1484 46.9183 0.0000 175.0946 37 G 3.9102 6.8602 107.3975 45.2233 0.0000 172.3741 38 C 4.9186 7.0529 111.9863 55.3689 44.3085 173.3351 39 R 3.8757 8.8612 117.7986 56.9761 26.5331 176.6629 40 A 4.1321 8.4450 119.2536 52.8155 18.8273 178.0937 41 K 4.4843 8.1522 120.2891 54.4336 34.7828 176.7995 42 R 3.6353 8.1667 117.9596 59.4253 30.2937 177.9039 43 N 4.6746 7.9915 117.2121 51.8037 36.9115 173.9246 44 N 4.8953 6.7326 116.4886 52.7943 41.1687 173.1101 45 F 5.0500 9.8086 125.9411 55.6594 41.9762 176.8921 46 K 4.3780 8.8433 121.8360 58.1027 32.8428 177.6428 47 S 4.8465 7.8889 112.3025 55.5650 67.4359 174.5861 48 A 3.2706 7.4337 124.0643 54.7868 17.9415 179.7543 49 E 3.7004 7.7764 117.4654 59.3366 29.8291 178.2986 50 D 4.2194 7.5527 116.8137 57.4200 41.3142 177.3921 51 C 2.4500 7.4733 118.2206 59.4107 43.7132 175.4926 52 M 3.8505 8.1086 120.5898 58.1482 31.2435 178.8112 53 R 3.8009 7.8849 118.3401 59.6504 30.3689 178.5382 54 T 4.0571 7.5161 114.1023 66.3781 68.6962 174.8524 55 C 4.7631 8.2746 114.6377 56.5214 42.1301 174.3582 56 G 3.6595 7.8025 113.7055 45.6801 0.0000 173.4796 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 R 8.25 4.17 0.00 1.71 1.89 0.00 3.17 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 2 P 0.00 4.06 0.00 1.12 1.62 0.00 3.43 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 3 D 8.38 4.37 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.57 4.45 0.00 3.43 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 7.39 4.47 0.00 3.01 3.12 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 0.00 6 L 7.38 4.18 0.00 1.74 1.72 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.82 4.20 0.00 2.19 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 2.36 2.30 0.00 8 P 0.00 4.50 0.00 2.11 2.02 0.00 3.76 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 1.98 1.95 0.00 9 P 0.00 3.70 0.00 0.94 0.49 0.00 3.35 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.44 0.00 10 Y 7.79 4.62 0.00 2.78 2.92 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 11 T 8.37 4.12 4.09 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 1.12 0.00 0.00 12 G 6.93 3.62 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 0.00 0.00 0.00 13 P 0.00 4.37 0.00 2.18 2.18 0.00 3.96 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 1.98 2.03 0.00 14 C 7.77 4.57 0.00 2.85 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 15 K 8.25 4.27 0.00 1.64 1.73 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.41 7.81 16 A 7.69 4.39 1.12 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 0.00 0.00 0.00 17 R 8.37 4.53 0.00 1.73 1.78 0.00 3.15 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 18 I 8.33 4.47 2.00 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 1.19 0.77 0.97 0.00 0.00 19 I 8.30 4.45 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.27 0.69 0.00 0.00 20 R 8.16 4.79 0.00 1.23 1.97 0.00 3.24 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 21 Y 9.48 5.62 0.00 3.16 3.07 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 0.00 0.00 0.00 0.00 22 F 9.84 5.59 0.00 2.95 2.82 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 23 A 9.37 4.49 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 24 N 8.85 4.75 0.00 2.29 2.62 0.00 0.00 6.67 7.33 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 25 A 8.60 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.02 0.00 1.74 2.04 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 27 A 7.99 4.29 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 28 G 8.26 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 0.00 0.00 0.00 0.00 29 L 7.19 4.82 0.00 1.42 1.46 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.55 5.17 0.00 2.74 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.63 4.94 0.00 1.64 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 32 T 8.57 4.81 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 1.22 0.00 0.00 33 F 9.03 5.05 0.00 2.97 3.07 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 0.00 0.00 0.00 0.00 34 V 8.37 4.03 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 0.68 0.00 0.00 0.89 0.00 0.00 35 Y 8.89 4.60 0.00 2.51 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 36 G 7.99 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.86 3.91 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 0.00 0.00 0.00 38 C 7.05 4.92 0.00 3.07 2.99 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 39 R 8.86 3.88 0.00 2.19 2.38 0.00 3.28 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 40 A 8.44 4.13 1.04 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 0.00 0.00 41 K 8.15 4.48 0.00 1.68 1.81 0.00 1.19 0.00 0.00 0.93 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 1.19 7.81 42 R 8.17 3.64 0.00 1.25 0.95 0.00 3.05 0.00 0.00 2.92 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.30 0.00 43 N 7.99 4.67 0.00 3.10 2.81 0.00 0.00 6.96 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 6.73 4.90 0.00 2.62 2.56 0.00 0.00 7.12 7.02 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 45 F 9.81 5.05 0.00 3.26 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 46 K 8.84 4.38 0.00 1.85 1.96 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 47 S 7.89 4.85 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.43 3.27 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 3.70 0.00 1.95 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 2.33 2.29 0.00 50 D 7.55 4.22 0.00 2.84 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 51 C 7.47 2.45 0.00 2.81 2.95 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 52 M 8.11 3.85 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 53 R 7.88 3.80 0.00 1.71 2.07 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 54 T 7.52 4.06 4.05 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 1.63 0.00 0.00 55 C 8.27 4.76 0.00 2.91 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 56 G 7.80 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