NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3107 8.2393 120.8604 55.6857 30.1795 174.8361 2 P 4.2300 0.0000 0.0000 62.8279 31.9249 174.5505 3 C 4.8941 8.5720 113.8048 52.7409 44.3974 174.6223 4 Q 4.2084 8.7253 122.7748 56.0145 28.9495 176.1784 5 C 5.1795 8.3023 120.5313 56.0737 46.1013 172.6464 6 N 4.4915 9.0085 121.7503 53.6369 39.0371 175.4973 7 D 4.6878 8.2698 119.5436 53.3350 40.3468 176.6112 8 N 4.9380 7.4583 121.5754 50.8134 40.1031 173.9618 9 I 4.6789 7.0219 110.0941 59.6540 40.6710 174.3656 10 D 4.8615 8.7102 122.3341 52.0355 42.3155 175.7883 11 P 4.2031 0.0000 0.0000 64.1883 31.4077 177.0551 12 N 4.3747 7.1064 117.1008 55.6397 38.9890 175.9387 13 A 4.1822 7.6091 121.4244 52.3982 19.4007 176.4039 14 V 4.3579 8.2475 118.1634 62.1069 34.2602 175.8210 15 G 4.0001 8.8416 112.7215 45.0582 0.0000 174.7641 16 N 4.3803 8.1210 116.7568 55.5916 39.3550 174.9448 17 C 5.2670 7.7694 117.6030 54.4312 41.3522 172.9905 18 N 4.7100 8.6792 122.2091 52.6694 38.9036 176.1521 19 R 4.1740 8.8538 123.8312 57.2084 30.8695 176.2699 20 L 4.5112 7.8637 116.1670 57.8739 41.8878 177.5676 21 T 4.0988 7.8722 107.0515 60.8137 70.0873 173.9602 22 G 3.7890 8.0214 110.2295 45.3059 0.0000 172.5878 23 E 4.3425 7.0606 115.2681 54.6526 33.4515 176.9290 24 C 4.1378 8.4707 118.6426 58.1258 40.0229 173.6288 25 L 4.0235 8.4066 126.6135 56.3292 42.5820 177.2329 26 K 4.4835 7.7024 116.9762 54.0519 33.3335 176.2054 27 C 4.4388 8.3341 120.0025 57.1036 40.6432 173.8092 28 I 3.8772 7.4229 115.2021 63.6401 37.9988 177.5693 29 Y 4.5704 7.0656 122.7732 59.7059 35.6450 176.6217 30 N 4.1930 7.6561 126.0888 54.8157 36.5132 173.9864 31 T 5.0869 7.6517 109.3578 59.8888 72.1658 172.7822 32 A 4.6357 8.8718 124.8812 50.4987 22.8801 174.7837 33 G 4.4656 8.8770 105.2234 43.8017 0.0000 175.0507 34 F 4.1103 8.8482 121.6640 59.8315 39.0427 175.3584 35 Y 4.7505 7.8372 117.6057 58.0718 38.6333 176.1823 36 C 4.3138 8.0966 113.6975 58.2885 38.5847 173.3944 37 D 4.8779 7.8320 115.1585 54.2966 40.6713 175.7802 38 R 4.8705 8.1560 120.8013 54.9029 34.1669 172.5618 39 C 5.6950 8.6688 115.9728 54.4868 42.3504 174.6761 40 K 4.0993 8.6451 122.7166 56.7881 33.4328 176.0403 41 E 4.1140 8.5791 123.2923 57.1357 29.9387 175.5921 42 G 3.4909 8.1789 116.9395 45.1601 0.0000 173.9136 43 F 4.6199 7.0436 118.0721 55.3012 41.5629 174.3960 44 F 5.1231 8.5182 123.2741 55.2359 42.8157 172.7944 45 G 4.0872 8.2784 106.7314 44.9979 0.0000 174.5244 46 N 4.9171 9.0111 123.5802 50.8830 39.7301 173.4846 47 P 4.5579 0.0000 0.0000 63.9947 32.0332 176.6848 48 L 4.7172 7.7101 119.0217 54.4030 42.3419 176.0516 49 A 4.6154 7.8076 120.4275 50.2510 20.4156 176.6737 50 P 4.3842 0.0000 0.0000 64.7457 31.9269 176.5251 51 N 4.8637 7.7896 116.3869 50.7001 40.2222 174.0430 52 P 4.1006 0.0000 0.0000 64.8802 31.9212 178.1005 53 A 4.0252 7.8625 120.8292 54.0508 18.5495 177.5314 54 D 5.0085 7.4418 114.1979 53.9687 42.5491 177.5432 55 K 5.2742 7.1513 128.7656 56.0775 31.0038 178.3826 56 C 5.0992 8.8275 119.2174 55.6379 41.7457 172.1339 57 K 4.4695 8.7930 123.5494 53.6871 35.4246 176.7752 58 A 4.2923 8.2439 121.7042 52.5045 17.9970 177.6735 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 8.24 4.31 0.00 1.77 1.97 0.00 3.24 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.87 0.00 2 P 0.00 4.23 0.00 2.29 2.15 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 3 C 8.57 4.89 0.00 3.06 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 4 Q 8.73 4.21 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 5 C 8.30 5.18 0.00 2.90 2.93 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 6 N 9.01 4.49 0.00 2.98 2.98 0.00 0.00 6.88 8.15 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 7 D 8.27 4.69 0.00 2.65 2.66 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 8 N 7.46 4.94 0.00 2.77 2.63 0.00 0.00 6.66 7.58 0.00 0.00 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 I 7.02 4.68 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.20 0.85 0.00 0.00 10 D 8.71 4.86 0.00 2.76 2.56 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 0.00 11 P 0.00 4.20 0.00 2.16 2.15 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 12 N 7.11 4.37 0.00 2.56 2.82 0.00 0.00 6.89 7.22 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 13 A 7.61 4.18 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.25 4.36 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 0.79 0.00 0.00 0.92 0.00 0.00 15 G 8.84 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 16 N 8.12 4.38 0.00 2.65 2.84 0.00 0.00 6.50 7.62 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 17 C 7.77 5.27 0.00 2.86 2.86 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 0.00 0.00 0.00 18 N 8.68 4.71 0.00 2.65 2.65 0.00 0.00 6.62 7.06 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 19 R 8.85 4.17 0.00 1.73 1.92 0.00 3.23 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 20 L 7.86 4.51 0.00 1.76 1.73 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.87 4.10 4.36 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 1.26 0.00 0.00 22 G 8.02 3.79 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 0.00 0.00 0.00 23 E 7.06 4.34 0.00 1.16 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 1.86 1.84 0.00 24 C 8.47 4.14 0.00 2.74 3.02 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 0.00 0.00 0.00 0.00 25 L 8.41 4.02 0.00 1.61 1.69 0.87 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.70 4.48 0.00 1.67 1.64 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.40 7.81 27 C 8.33 4.44 0.00 3.10 3.01 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 28 I 7.42 3.88 1.31 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.02 0.83 0.00 0.00 29 Y 7.07 4.57 0.00 3.07 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 30 N 7.66 4.19 0.00 3.01 3.43 0.00 0.00 6.65 7.14 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 31 T 7.65 5.09 4.53 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 1.40 0.00 0.00 32 A 8.87 4.64 1.24 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 33 G 8.88 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 4.11 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.84 4.75 0.00 3.20 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 36 C 8.10 4.31 0.00 3.25 3.18 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 37 D 7.83 4.88 0.00 2.84 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 38 R 8.16 4.87 0.00 1.92 1.79 0.00 3.08 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 39 C 8.67 5.69 0.00 2.96 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 40 K 8.65 4.10 0.00 1.74 1.95 0.00 0.61 0.00 0.00 1.20 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.25 7.81 41 E 8.58 4.11 0.00 1.91 1.83 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 2.27 2.31 0.00 42 G 8.18 3.49 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 0.00 0.00 0.00 43 F 7.04 4.62 0.00 2.92 2.81 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 0.00 0.00 0.00 0.00 44 F 8.52 5.12 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 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 0.00 0.00 0.00 0.00 46 N 9.01 4.92 0.00 2.77 2.76 0.00 0.00 7.21 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 47 P 0.00 4.56 0.00 2.24 2.33 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 48 L 7.71 4.72 0.00 1.67 1.72 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.81 4.62 1.35 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 0.00 0.00 50 P 0.00 4.38 0.00 2.18 2.19 0.00 3.74 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 1.97 1.98 0.00 51 N 7.79 4.86 0.00 2.72 2.70 0.00 0.00 6.91 8.02 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 52 P 0.00 4.10 0.00 2.03 1.92 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 53 A 7.86 4.03 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 54 D 7.44 5.01 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.15 5.27 0.00 1.78 1.11 0.00 1.74 0.00 0.00 2.01 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 56 C 8.83 5.10 0.00 2.99 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 57 K 8.79 4.47 0.00 1.62 1.66 0.00 1.56 0.00 0.00 1.39 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.43 7.81 58 A 8.24 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