NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3788 8.3049 118.1959 54.2644 32.5149 174.7642 2 K 3.6446 8.5652 119.1476 56.7122 31.9983 175.9318 3 R 4.3969 8.5353 123.4635 55.2368 32.1507 177.3149 4 T 3.6949 8.4759 113.5404 63.7790 67.4434 173.8995 5 W 4.7515 7.5838 130.4031 55.7419 30.4554 173.8884 6 Q 4.0759 7.7391 123.3231 52.6061 28.1197 174.0755 7 P 3.1405 0.0000 0.0000 62.5578 32.2072 176.8971 8 N 4.4202 7.9797 116.3631 51.7220 41.6997 175.2486 9 R 3.9394 8.5779 127.9407 59.4370 30.3760 178.7371 10 R 3.8705 7.9616 117.7497 59.3213 30.2090 177.9684 11 K 3.8190 8.0401 118.7287 59.6206 32.1805 178.0475 12 R 4.0260 8.0905 118.4482 59.8625 30.0340 178.3910 13 A 4.1457 8.2246 119.9319 54.3405 18.1564 178.6842 14 K 4.3022 7.8136 116.6359 57.3245 32.6402 176.8775 15 T 4.5624 7.7448 105.8192 61.9430 69.7946 173.9666 16 H 4.8692 8.4168 116.3881 55.1025 31.6451 173.7572 17 G 4.4586 7.8625 108.6451 44.4712 0.0000 174.4599 18 F 4.0128 8.9447 121.4923 61.2582 39.0015 177.7039 19 R 4.0646 8.1374 116.2960 59.2675 29.8727 178.4030 20 A 4.1441 7.9632 120.1166 55.0610 18.3333 179.6904 21 R 3.8260 8.0796 116.6772 59.7781 29.9371 179.2472 22 M 3.9805 7.4809 116.5064 57.6340 31.8967 178.6605 23 R 3.9372 7.3489 118.1472 58.7158 31.0565 176.5363 24 T 4.2970 7.2547 113.3996 60.3926 68.3886 173.5087 25 P 4.3715 0.0000 0.0000 65.9699 31.0542 179.0371 26 G 3.7932 8.0363 104.4020 47.0688 0.0000 175.7300 27 G 3.8749 7.7431 108.9120 47.4212 0.0000 175.9494 28 R 3.8763 8.0378 120.9528 58.5962 29.9778 178.9269 29 K 3.8623 7.6855 118.2323 59.6358 32.0862 178.9582 30 V 3.6171 7.7392 118.4172 65.7472 31.2883 178.0703 31 L 3.9391 7.6607 118.4294 57.4801 41.5356 178.9229 32 K 3.8895 7.9330 119.5342 59.7212 32.0972 178.7363 33 R 3.8891 7.8859 117.9370 59.4130 30.1445 178.9637 34 R 3.9280 8.3600 118.0034 59.6770 29.7456 179.3998 35 R 3.9728 8.6490 117.9996 59.3370 29.8663 178.9615 36 Q 4.0381 8.3282 118.5683 59.0481 29.1196 177.8569 37 K 4.1547 8.5116 120.3856 57.6347 32.3165 177.4480 38 G 4.1203 7.7047 105.4236 45.4824 0.0000 173.8372 39 R 4.0897 7.4799 117.4589 55.8039 30.5254 177.5871 40 W 4.5779 8.6430 120.3639 58.5610 29.8757 176.9581 41 R 4.5686 7.7214 116.6724 54.1082 31.1144 175.4684 42 L 4.2636 8.4952 123.2376 57.0243 42.0522 177.6749 43 T 4.6554 7.4376 110.7433 59.6312 70.5444 171.3283 44 P 4.2062 0.0000 0.0000 63.0726 31.8590 176.2260 45 A 4.2303 8.3923 125.1276 52.1461 19.1114 177.5294 46 V 4.2745 8.0002 119.8108 62.1128 33.3977 175.5868 47 R 4.3848 8.1713 128.9644 52.7421 28.7205 176.6539 48 K 3.9751 7.8572 121.7183 57.1031 32.4082 174.1696 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 4.38 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 8.57 3.64 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 R 8.54 4.40 0.00 1.88 1.92 0.00 3.33 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 4 T 8.48 3.69 4.30 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 1.29 0.00 0.00 5 W 7.58 4.75 0.00 3.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.08 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 7 P 0.00 3.14 0.00 1.84 1.88 0.00 3.35 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.57 0.00 8 N 7.98 4.42 0.00 2.60 2.52 0.00 0.00 7.02 7.65 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 9 R 8.58 3.94 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 10 R 7.96 3.87 0.00 1.87 1.93 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.04 3.82 0.00 1.89 1.96 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.63 7.81 12 R 8.09 4.03 0.00 2.20 2.16 0.00 3.45 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 13 A 8.22 4.15 1.38 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 14 K 7.81 4.30 0.00 2.01 1.85 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 15 T 7.74 4.56 4.14 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 1.23 0.00 0.00 16 H 8.42 4.87 0.00 3.32 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.86 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.94 4.01 0.00 3.21 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 19 R 8.14 4.06 0.00 1.92 2.04 0.00 3.48 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 20 A 7.96 4.14 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 21 R 8.08 3.83 0.00 1.77 1.83 0.00 3.24 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 22 M 7.48 3.98 0.00 1.92 2.03 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 2.29 1.96 0.00 23 R 7.35 3.94 0.00 1.81 2.06 0.00 3.25 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 24 T 7.25 4.30 4.22 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 1.27 0.00 0.00 25 P 0.00 4.37 0.00 2.29 2.28 0.00 3.73 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 2.06 2.02 0.00 26 G 8.04 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 27 G 7.74 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 28 R 8.04 3.88 0.00 1.84 1.94 0.00 3.10 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 29 K 7.69 3.86 0.00 1.98 1.81 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.59 7.81 30 V 7.74 3.62 2.19 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 0.98 0.00 0.00 0.99 0.00 0.00 31 L 7.66 3.94 0.00 1.88 1.66 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.93 3.89 0.00 1.83 1.99 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 33 R 7.89 3.89 0.00 2.04 1.96 0.00 3.20 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 34 R 8.36 3.93 0.00 2.03 2.03 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 35 R 8.65 3.97 0.00 2.10 2.00 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 36 Q 8.33 4.04 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 37 K 8.51 4.15 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 38 G 7.70 4.12 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 0.00 39 R 7.48 4.09 0.00 1.89 1.93 0.00 3.29 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 40 W 8.64 4.58 0.00 3.29 3.17 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 41 R 7.72 4.57 0.00 1.87 1.88 0.00 3.21 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 42 L 8.50 4.26 0.00 1.78 1.82 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.44 4.66 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 1.38 0.00 0.00 44 P 0.00 4.21 0.00 2.13 2.02 0.00 3.94 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 2.05 2.10 0.00 45 A 8.39 4.23 1.27 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 0.00 0.00 46 V 8.00 4.27 2.12 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 0.86 0.00 0.00 0.99 0.00 0.00 47 R 8.17 4.38 0.00 1.86 1.89 0.00 3.36 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 48 K 7.86 3.98 0.00 1.70 1.64 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.23 7.81