NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.8045 8.4293 120.3867 55.1300 31.7756 174.1704 5 P 4.5628 0.0000 0.0000 59.8683 31.4163 170.7554 6 V 3.6467 9.1119 120.4702 63.6111 32.4354 176.0807 7 P 4.4761 0.0000 0.0000 60.5110 34.0789 177.9790 8 K 4.6452 8.2319 119.4616 58.0407 36.8015 175.5334 9 K 4.2448 7.6445 121.6821 58.6728 37.2821 175.2169 10 K 3.5592 8.9014 120.9332 58.8223 33.0775 177.6081 11 T 3.4333 7.6748 113.2054 63.7430 65.6663 171.6048 12 S 3.9023 8.1298 118.6397 56.9664 63.9461 172.2934 13 K 3.8566 9.1223 121.7248 61.5461 31.5674 179.6369 14 A 3.5586 7.5108 117.1513 53.8580 19.2739 179.1562 15 R 3.8143 9.1637 113.4352 59.4985 29.7000 179.1926 16 R 3.8037 8.0138 120.2179 59.5045 30.0757 177.2704 17 D 4.4043 9.1820 119.0510 56.2437 40.7981 179.9872 18 A 3.8290 8.5090 122.1737 57.5956 19.3116 178.6301 19 R 3.9468 8.6106 118.4316 57.2763 29.9745 178.4698 20 R 3.8763 8.4546 119.0819 60.0696 30.4101 178.1347 21 S 4.2077 8.7043 114.6723 60.6347 63.6754 175.4593 22 H 4.1934 8.5073 123.6500 58.4596 30.3658 176.2637 23 H 3.7231 8.1685 111.7827 56.0500 28.1852 172.5904 24 A 3.7317 6.4317 131.0166 51.6517 19.8646 178.2175 25 L 4.4865 8.2464 121.4577 53.9452 40.9490 176.6318 26 T 4.2354 8.2478 114.9880 60.3822 70.1872 171.3662 27 P 4.8845 0.0000 0.0000 59.9622 33.7689 172.5203 28 P 4.4601 0.0000 0.0000 62.1774 31.6022 176.2283 29 T 4.0835 8.4992 120.4912 64.0414 68.8905 173.5392 30 L 4.6534 7.7755 122.1647 55.8196 42.5278 174.0505 31 V 4.7049 8.2314 114.6132 59.8198 35.7079 172.5618 32 P 5.8500 0.0000 0.0000 61.0890 34.0744 175.6773 33 C 4.0050 10.4075 120.3230 56.6968 43.7461 173.3705 34 P 4.2131 0.0000 0.0000 64.6822 31.5548 175.9430 35 E 4.3957 7.7012 118.6720 57.0511 31.7403 178.5157 36 C 4.7252 8.7269 115.7606 58.3433 31.0054 175.8564 37 K 4.1496 9.2883 117.0676 56.7687 32.2655 177.2710 38 A 3.5788 8.3087 133.0933 48.5705 22.7897 175.9805 39 M 4.8596 8.2997 115.3993 55.2227 32.2823 175.9752 40 K 4.7483 9.1063 124.3295 53.9359 35.5549 173.4342 41 P 5.0593 0.0000 0.0000 60.8381 33.1426 176.2437 42 P 4.1764 0.0000 0.0000 61.6845 34.5167 179.4332 43 H 4.4459 8.8817 112.7186 55.6665 26.0703 173.8064 44 T 4.6125 8.6414 115.9753 61.7642 71.8164 173.3832 45 V 4.4807 7.6142 114.8647 61.4797 34.8599 173.9347 46 C 4.7309 8.0678 113.5474 57.7383 31.1373 172.7374 47 P 4.6575 0.0000 0.0000 62.0068 31.9392 176.4760 48 E 4.5809 10.1671 123.6438 57.7086 36.1869 175.8900 49 C 3.6324 8.4950 121.6659 57.3348 37.2026 173.8475 50 G 3.6358 7.6664 105.8001 45.7199 0.0000 171.3384 51 Y 4.2332 6.8243 113.3673 58.3652 41.3426 171.4181 52 Y 4.4611 7.9829 112.6466 59.5503 45.2893 175.3122 53 A 4.2049 7.5682 119.7861 49.7987 20.1346 177.2454 54 G 4.3769 8.3529 110.0345 45.0350 0.0000 171.9818 55 R 4.6405 9.6969 124.8635 58.6007 30.2673 177.9699 56 K 3.8128 8.3172 110.8590 57.3051 31.8455 174.5440 57 V 4.3312 7.6435 109.8260 61.4739 35.7027 174.8497 58 L 3.9141 8.2495 120.4903 55.6586 41.8549 169.0900 59 E 3.7464 8.5614 130.1448 55.4788 30.8409 174.5608 60 V 3.9532 8.1605 123.7403 62.6237 30.7721 171.7765 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 4 H 8.43 4.80 0.00 3.12 3.41 0.00 5.67 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 5 P 0.00 4.56 0.00 2.12 1.52 0.00 3.69 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 6 V 9.11 3.65 2.07 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 0.74 0.00 0.00 0.92 0.00 0.00 7 P 0.00 4.48 0.00 2.12 1.74 0.00 3.87 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 1.99 2.02 0.00 8 K 8.23 4.65 0.00 1.68 1.77 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.36 7.81 9 K 7.64 4.24 0.00 1.77 1.84 0.00 1.45 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.40 7.81 10 K 8.90 3.56 0.00 1.89 2.07 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.12 7.81 11 T 7.67 3.43 4.24 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 1.21 0.00 0.00 12 S 8.13 3.90 0.00 4.03 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 13 K 9.12 3.86 0.00 1.80 1.88 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.49 7.81 14 A 7.51 3.56 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 15 R 9.16 3.81 0.00 2.04 2.32 0.00 2.86 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 16 R 8.01 3.80 0.00 1.88 2.10 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 17 D 9.18 4.40 0.00 2.89 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 3.83 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.61 3.95 0.00 1.85 1.88 0.00 3.15 0.00 0.00 3.08 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 20 R 8.45 3.88 0.00 2.18 1.93 0.00 3.16 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 21 S 8.70 4.21 0.00 4.00 4.02 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 22 H 8.51 4.19 0.00 3.10 3.36 0.00 5.80 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.17 3.72 0.00 3.68 3.00 0.00 5.83 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 24 A 6.43 3.73 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.49 0.00 1.74 1.71 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.25 4.24 4.24 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 1.21 0.00 0.00 27 P 0.00 4.88 0.00 2.17 2.06 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 1.88 1.91 0.00 28 P 0.00 4.46 0.00 2.21 2.12 0.00 3.79 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 1.99 1.98 0.00 29 T 8.50 4.08 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 30 L 7.78 4.65 0.00 1.58 1.60 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.23 4.70 2.10 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 0.77 0.00 0.00 1.02 0.00 0.00 32 P 0.00 5.85 0.00 2.07 2.04 0.00 3.44 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 33 C 10.41 4.01 0.00 3.20 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 34 P 0.00 4.21 0.00 2.38 2.37 0.00 3.79 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 2.06 2.06 0.00 35 E 7.70 4.40 0.00 2.30 1.67 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 2.07 2.20 0.00 36 C 8.73 4.73 0.00 3.09 2.33 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 0.00 0.00 0.00 0.00 37 K 9.29 4.15 0.00 1.82 1.32 0.00 1.54 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 8.31 3.58 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 39 M 8.30 4.86 0.00 2.02 2.10 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 2.57 2.60 0.00 40 K 9.11 4.75 0.00 1.83 1.68 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.34 0.00 0.00 3.57 0.00 0.00 0.00 0.00 1.53 1.59 7.81 41 P 0.00 5.06 0.00 2.15 2.05 0.00 3.89 0.00 0.00 3.74 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 42 P 0.00 4.18 0.00 2.18 1.17 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 43 H 8.88 4.45 0.00 3.16 3.31 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.64 4.61 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 1.28 0.00 0.00 45 V 7.61 4.48 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 0.62 0.00 0.00 0.95 0.00 0.00 46 C 8.07 4.73 0.00 3.11 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 47 P 0.00 4.66 0.00 2.17 2.19 0.00 3.78 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 1.97 2.00 0.00 48 E 10.17 4.58 0.00 1.86 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 49 C 8.50 3.63 0.00 2.81 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 50 G 7.67 3.64 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 0.00 0.00 0.00 51 Y 6.82 4.23 0.00 2.96 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 52 Y 7.98 4.46 0.00 2.86 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 53 A 7.57 4.20 1.16 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 0.00 0.00 54 G 8.35 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 55 R 9.70 4.64 0.00 1.83 2.09 0.00 3.28 0.00 0.00 3.43 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.00 56 K 8.32 3.81 0.00 1.99 2.03 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 57 V 7.64 4.33 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 0.63 0.00 0.00 0.91 0.00 0.00 58 L 8.25 3.91 0.00 1.65 1.93 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.56 3.75 0.00 2.09 1.90 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 2.16 2.26 0.00 60 V 8.16 3.95 2.07 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 0.65 0.00 0.00 0.92 0.00 0.00