NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9895 8.3549 109.7366 45.3472 0.0000 176.7857 2 S 4.4309 8.7279 113.3742 54.2771 63.8572 170.2629 3 P 4.3525 0.0000 0.0000 62.7871 32.7182 176.4507 4 T 4.7221 8.0375 112.1122 59.5096 72.1312 173.8112 5 F 3.9596 8.6447 122.2987 59.2699 39.4548 172.7543 6 K 3.6700 8.8136 122.0997 56.2292 31.4109 174.5030 7 C 4.3825 8.3327 120.3354 59.1634 32.2127 171.9834 8 A 5.5866 8.2477 128.3936 49.9002 22.3100 173.8410 9 V 4.4339 7.7948 108.9898 60.6727 36.7204 174.5952 10 K 4.6552 8.0173 120.2254 53.9301 33.0225 174.0711 11 A 3.6653 8.2176 125.8990 51.9386 18.6071 177.8131 12 L 4.3474 8.0418 121.9821 55.9818 42.8696 177.0933 13 F 5.1728 8.0983 115.8312 55.9510 41.5265 174.3886 14 D 5.0817 8.6877 119.1780 53.1650 43.0778 174.4392 15 Y 4.1355 8.4679 125.5557 55.7497 42.4034 175.0845 16 K 5.2953 7.4411 120.8069 54.7629 32.9169 173.6993 17 A 4.5609 8.2679 122.8257 53.1628 21.3760 177.0151 18 Q 4.3541 9.2749 117.7095 56.5707 29.1617 173.4873 19 R 4.7715 6.9501 107.3267 55.8769 29.9432 173.3514 20 E 4.6297 9.5148 117.0232 56.2882 31.3247 176.9208 21 D 4.9287 8.5447 118.0672 54.4415 39.0316 174.3663 22 E 5.5194 8.0865 118.1476 53.0742 33.3394 173.7097 23 L 5.3324 8.7672 121.4083 53.3208 45.5499 176.5226 24 T 4.6511 8.6754 111.8447 61.3864 67.6012 173.8278 25 F 4.7458 7.6038 114.7101 57.2605 38.6322 174.5617 26 I 5.0590 8.4361 113.8608 57.9189 40.8937 174.3815 27 K 4.4291 8.5927 124.2139 58.3948 31.8789 176.4594 28 S 4.5999 9.4780 120.8945 57.6417 62.5010 170.2477 29 A 4.3631 8.3096 124.1595 51.8135 19.4080 176.4716 30 I 5.0434 8.4287 120.8649 58.7681 39.7279 175.1572 31 I 4.6999 8.0738 127.2360 59.7147 40.3643 174.6749 32 Q 4.7302 8.3210 123.0275 54.3530 32.8700 174.3890 33 N 3.9163 8.8096 113.9172 54.0370 35.3285 173.4479 34 V 5.3193 7.4609 119.5666 58.8128 34.9750 175.5126 35 E 4.3805 8.3874 117.0483 54.9616 31.7441 175.5072 36 K 3.5438 7.8271 126.6743 57.5254 32.8577 175.8759 37 Q 4.6901 9.4108 124.6970 54.2532 31.1942 172.8213 38 E 4.1902 7.9340 125.5017 54.4313 28.6605 177.4049 39 G 5.0214 9.0281 124.0114 45.8932 0.0000 170.4503 40 G 3.9999 8.6815 109.5248 45.6973 0.0000 172.8891 41 W 4.6949 7.9219 116.7553 54.2162 33.7080 175.3898 42 W 4.9990 9.9679 123.3896 55.2118 32.1359 175.2257 43 R 4.2318 8.4383 120.2007 53.0112 33.4270 173.5847 44 G 4.7266 8.6587 103.6156 43.9448 0.0000 173.2529 45 D 4.5514 8.4955 122.8962 53.5653 40.1732 175.5096 46 Y 4.7465 8.4227 122.1503 58.9553 40.3727 173.1270 47 G 3.9852 8.3136 116.8819 44.2681 0.0000 173.2305 48 G 3.7292 8.4519 112.9262 45.7617 0.0000 173.1158 49 K 4.3221 7.1604 119.6374 55.2222 33.7414 176.4600 50 K 4.1494 8.1881 120.8166 56.8243 33.0512 174.0317 51 Q 3.6050 8.5362 126.9127 56.2717 25.6448 173.7463 52 L 4.6217 7.6483 128.3610 54.2339 44.3638 177.8739 53 W 5.0864 9.4534 125.9155 55.9537 33.9251 173.8495 54 F 5.7960 8.6875 117.6812 54.1959 40.9523 172.2905 55 P 2.9700 0.0000 0.0000 62.5373 32.3406 176.4542 56 S 3.8525 7.2245 115.3013 58.3281 63.1750 174.3954 57 N 4.7579 7.8656 117.1021 53.8391 40.5189 174.9200 58 Y 3.7716 7.7053 114.7770 59.1794 39.5254 176.5845 59 V 3.8080 6.8787 111.0692 60.4453 33.1348 175.6522 60 E 4.2810 7.6630 119.4672 55.1469 32.8236 174.8410 61 E 4.4891 9.0837 123.8188 58.1848 27.4760 174.8287 62 M 2.9052 8.0985 117.8271 57.5250 29.1373 176.6208 63 V 4.2379 8.0268 122.7557 62.6639 31.6038 176.0667 64 N 4.9135 7.6776 115.5931 50.0044 40.6156 175.1197 65 P 4.5724 0.0000 0.0000 59.6242 30.7253 176.4225 66 E 3.6646 8.8006 128.8729 56.3241 28.8466 173.8880 67 G 4.3755 7.5095 111.5004 45.7988 0.0000 172.4366 68 I 4.3353 8.1133 123.8344 59.3700 39.9673 174.4059 69 H 5.0730 7.6752 117.3483 53.7035 31.1263 175.6309 70 R 4.5179 8.2321 126.5662 56.1809 29.3257 175.8837 71 D 4.5638 8.7440 115.8536 54.1284 41.0979 175.8297 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 G 8.35 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 0.00 0.00 0.00 2 S 8.73 4.43 0.00 3.90 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 3 P 0.00 4.35 0.00 2.18 2.07 0.00 3.74 0.00 0.00 3.61 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 4 T 8.04 4.72 4.31 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 1.25 0.00 0.00 5 F 8.64 3.96 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 6 K 8.81 3.67 0.00 2.09 1.82 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.55 7.81 7 C 8.33 4.38 0.00 2.98 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 8 A 8.25 5.59 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 9 V 7.79 4.43 2.03 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 1.11 0.00 0.00 0.63 0.00 0.00 10 K 8.02 4.66 0.00 1.71 1.58 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.32 7.81 11 A 8.22 3.67 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.35 0.00 1.32 1.72 0.69 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.10 5.17 0.00 2.76 2.70 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 14 D 8.69 5.08 0.00 2.87 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.47 4.14 0.00 1.82 1.79 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 16 K 7.44 5.30 0.00 1.59 1.52 0.00 1.56 0.00 0.00 2.34 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 17 A 8.27 4.56 1.56 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 0.00 0.00 18 Q 9.27 4.35 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.39 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 19 R 6.95 4.77 0.00 1.94 1.93 0.00 3.06 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 20 E 9.51 4.63 0.00 2.08 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 2.32 2.50 0.00 21 D 8.54 4.93 0.00 3.03 3.41 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 22 E 8.09 5.52 0.00 2.17 1.71 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 2.41 2.15 0.00 23 L 8.77 5.33 0.00 2.22 1.78 1.24 0.95 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 24 T 8.68 4.65 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 1.31 0.00 0.00 25 F 7.60 4.75 0.00 2.60 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.44 5.06 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.86 1.07 0.00 0.00 27 K 8.59 4.43 0.00 2.02 1.86 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.65 1.65 7.81 28 S 9.48 4.60 0.00 4.05 4.39 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 29 A 8.31 4.36 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 5.04 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.88 0.93 0.00 0.00 31 I 8.07 4.70 1.40 0.00 0.00 -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 0.55 -0.12 0.72 0.00 0.00 32 Q 8.32 4.73 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.08 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 33 N 8.81 3.92 0.00 2.90 2.80 0.00 0.00 6.33 7.71 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 34 V 7.46 5.32 2.41 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 1.09 0.00 0.00 1.42 0.00 0.00 35 E 8.39 4.38 0.00 1.82 1.73 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 1.89 2.01 0.00 36 K 7.83 3.54 0.00 1.60 1.45 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.43 1.06 7.81 37 Q 9.41 4.69 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 38 E 7.93 4.19 0.00 2.00 1.92 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 2.33 2.32 0.00 39 G 9.03 5.02 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 0.00 0.00 0.00 40 G 8.68 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 41 W 7.92 4.69 0.00 3.25 3.13 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 0.00 0.00 0.00 42 W 9.97 5.00 0.00 3.33 3.22 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 43 R 8.44 4.23 0.00 1.27 1.47 0.00 3.17 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 44 G 8.66 4.73 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 0.00 45 D 8.50 4.55 0.00 3.12 2.83 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 46 Y 8.42 4.75 0.00 2.87 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 0.00 0.00 0.00 48 G 8.45 3.73 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 0.00 49 K 7.16 4.32 0.00 1.95 1.83 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.58 7.81 50 K 8.19 4.15 0.00 1.66 1.68 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.46 7.81 51 Q 8.54 3.60 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 52 L 7.65 4.62 0.00 1.75 1.44 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 53 W 9.45 5.09 0.00 3.39 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 54 F 8.69 5.80 0.00 2.86 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 55 P 0.00 2.97 0.00 2.24 1.68 0.00 3.89 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.36 0.00 56 S 7.22 3.85 0.00 4.17 4.11 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 0.00 0.00 0.00 57 N 7.87 4.76 0.00 2.81 3.16 0.00 0.00 7.05 7.56 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 58 Y 7.71 3.77 0.00 3.01 3.11 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 0.00 0.00 0.00 59 V 6.88 3.81 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 -0.84 0.00 0.00 60 E 7.66 4.28 0.00 1.72 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 61 E 9.08 4.49 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 62 M 8.10 2.91 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 63 V 8.03 4.24 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 0.87 0.00 0.00 0.92 0.00 0.00 64 N 7.68 4.91 0.00 2.63 2.68 0.00 0.00 6.86 9.22 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 65 P 0.00 4.57 0.00 2.02 1.83 0.00 3.82 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 2.02 2.10 0.00 66 E 8.80 3.66 0.00 2.08 1.93 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 2.21 2.27 0.00 67 G 7.51 4.38 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 0.00 0.00 0.00 68 I 8.11 4.34 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.80 0.00 0.00 69 H 7.68 5.07 0.00 3.27 3.32 0.00 5.53 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.23 4.52 0.00 1.80 1.44 0.00 3.27 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 71 D 8.74 4.56 0.00 2.70 2.54 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 0.00 0.00 0.00 0.00