NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3327 8.2644 123.5830 51.8601 19.5165 175.9430 3 K 4.3305 8.4113 123.5841 54.2207 35.0671 173.1582 4 H 4.4007 10.4119 127.4655 55.8402 31.6735 173.5241 5 P 3.7991 0.0000 0.0000 62.0597 27.7597 175.4710 6 V 3.8767 8.0354 116.4757 60.2159 32.3345 175.0533 7 P 4.3787 0.0000 0.0000 65.8760 32.5130 179.7312 8 K 3.6688 8.7398 116.3963 56.1801 31.1376 177.8950 9 K 4.0409 9.2485 119.7236 57.6698 33.5190 176.7079 10 K 4.7302 8.3073 120.1679 55.1009 35.5364 176.7815 11 T 4.7781 7.7962 107.0188 60.8291 69.6398 173.6604 12 S 4.7990 7.5469 132.1000 58.0750 61.8122 178.5578 13 K 4.1024 8.6044 121.0433 56.9809 31.6749 172.4952 14 S 4.0075 8.1383 113.0090 59.3305 61.2656 173.7570 15 K 4.2123 7.3305 122.5703 57.1967 34.4246 177.9108 16 R 3.9262 8.7473 120.5542 57.4867 28.7563 176.0962 17 D 4.7603 7.6901 112.4362 56.2078 43.5247 176.8314 18 M 4.6743 7.7239 117.8521 54.4361 30.2738 176.9964 19 R 4.6265 7.4896 111.9761 56.1587 34.8572 176.0983 20 R 4.6634 7.1552 116.5783 53.4209 29.4993 173.4877 21 S 4.5693 7.5555 113.1953 59.2703 68.7306 174.9259 22 H 4.5791 8.3637 117.8406 56.2683 28.9706 173.9178 23 H 4.7671 7.5499 116.6697 53.6905 37.4661 174.2631 24 A 3.6919 7.4730 123.2116 51.0637 18.5304 176.7180 25 L 4.3066 7.0833 110.7288 53.7125 45.2616 175.4365 26 T 3.8785 8.6979 121.4008 64.0852 68.6527 170.2363 27 A 3.8820 7.5975 132.5391 50.9396 20.5164 174.1905 28 P 4.7418 0.0000 0.0000 61.7165 31.0502 175.9949 29 N 4.0548 9.1856 111.5577 53.6275 35.5353 171.1109 30 L 4.5283 7.7306 117.4967 54.8198 44.6759 176.9968 31 T 4.6856 7.4738 114.0060 62.1542 72.3048 174.4954 32 E 4.5946 7.7699 119.3530 55.4907 30.2441 172.6833 33 C 4.0781 7.9448 121.6289 58.1567 28.6240 172.0787 34 P 4.4166 0.0000 0.0000 65.5123 30.5780 176.7164 35 Q 4.4429 7.1596 112.8201 57.1692 31.8921 175.5660 36 C 4.3616 7.9989 119.0378 61.0708 31.0317 175.6447 37 H 3.6445 9.0226 123.1394 56.3288 29.6065 177.8346 38 G 5.0155 5.3800 118.8424 45.4701 0.0000 171.6405 39 K 4.3592 8.1317 124.5582 54.4814 33.5723 177.6425 40 K 4.2831 9.4322 130.0050 55.7942 33.2189 176.2558 41 L 3.5039 7.5956 116.5252 54.6010 40.5972 174.4687 42 S 4.3357 8.3720 111.1826 58.9046 60.6172 173.7096 43 H 4.1038 8.7632 126.0437 56.0580 25.6767 175.2740 44 H 4.7160 9.0558 119.0212 55.5473 32.4289 172.1797 45 I 3.5163 8.6330 126.5588 61.0569 39.3704 174.3240 46 C 3.2361 7.6788 113.7349 57.8207 29.4051 172.4436 47 P 4.4761 0.0000 0.0000 62.9078 30.9016 173.9139 48 N 4.4048 8.5626 118.2998 54.7593 36.9772 176.3025 49 C 3.8732 9.1331 126.2451 60.6838 29.3823 173.3951 50 G 3.9396 7.4695 107.3299 44.5666 0.0000 173.0826 51 Y 4.9459 7.1160 113.1807 55.8827 40.6509 174.2095 52 Y 4.4869 8.6972 119.7846 59.0151 38.8787 175.0751 53 D 4.3754 7.0913 122.8252 54.2516 44.4953 175.8147 54 G 3.7600 7.2291 106.0425 44.1368 0.0000 171.9882 55 R 3.4788 6.8305 117.9461 54.5090 30.3589 175.0839 56 Q 4.4760 9.0840 125.5006 56.1929 31.9222 173.6876 57 V 3.3431 8.2797 119.1076 65.6696 31.5342 171.2565 58 L 4.2539 8.3407 113.4773 54.3565 44.6795 174.8567 59 A 4.1602 9.0678 127.6590 52.8621 18.1406 177.0625 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 2 A 8.26 4.33 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.33 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.56 7.81 4 H 10.41 4.40 0.00 3.11 3.21 0.00 5.99 0.00 0.00 0.00 0.00 6.86 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 3.80 0.00 2.01 2.13 0.00 3.02 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 6 V 8.04 3.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 7 P 0.00 4.38 0.00 2.17 2.19 0.00 3.91 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 1.99 2.00 0.00 8 K 8.74 3.67 0.00 1.88 1.48 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.39 7.81 9 K 9.25 4.04 0.00 1.86 1.82 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.46 7.81 10 K 8.31 4.73 0.00 1.72 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.55 7.81 11 T 7.80 4.78 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 7.55 4.80 0.00 3.85 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 13 K 8.60 4.10 0.00 1.75 1.75 0.00 1.94 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 14 S 8.14 4.01 0.00 4.08 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 15 K 7.33 4.21 0.00 1.75 1.72 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.36 7.81 16 R 8.75 3.93 0.00 2.02 2.00 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 17 D 7.69 4.76 0.00 2.77 2.62 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 18 M 7.72 4.67 0.00 2.00 2.05 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 2.61 2.62 0.00 19 R 7.49 4.63 0.00 1.74 1.89 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 20 R 7.16 4.66 0.00 1.78 1.82 0.00 3.30 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 21 S 7.56 4.57 0.00 3.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.36 4.58 0.00 3.18 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.55 4.77 0.00 3.08 3.15 0.00 6.13 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 7.47 3.69 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 25 L 7.08 4.31 0.00 1.55 1.42 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.70 3.88 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 27 A 7.60 3.88 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 28 P 0.00 4.74 0.00 2.13 1.17 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 29 N 9.19 4.05 0.00 2.86 2.87 0.00 0.00 6.69 7.78 0.00 0.00 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 L 7.73 4.53 0.00 1.65 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.47 4.69 4.26 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 1.23 0.00 0.00 32 E 7.77 4.59 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 33 C 7.94 4.08 0.00 3.15 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 34 P 0.00 4.42 0.00 2.24 2.44 0.00 3.61 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 2.29 2.23 0.00 35 Q 7.16 4.44 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 36 C 8.00 4.36 0.00 2.84 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 37 H 9.02 3.64 0.00 3.13 2.66 0.00 6.07 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 38 G 5.38 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 39 K 8.13 4.36 0.00 1.66 1.52 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.46 7.81 40 K 9.43 4.28 0.00 2.08 1.96 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 41 L 7.60 3.50 0.00 1.86 1.73 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.37 4.34 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.76 4.10 0.00 3.34 3.37 0.00 5.76 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.06 4.72 0.00 3.03 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.63 3.52 1.83 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.98 0.00 0.00 46 C 7.68 3.24 0.00 2.95 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 4.48 0.00 2.10 2.36 0.00 3.73 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 1.84 1.91 0.00 48 N 8.56 4.40 0.00 2.67 2.41 0.00 0.00 7.14 7.66 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 49 C 9.13 3.87 0.00 2.45 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 0.00 0.00 0.00 50 G 7.47 3.94 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 0.00 0.00 0.00 51 Y 7.12 4.95 0.00 2.97 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 52 Y 8.70 4.49 0.00 3.09 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 53 D 7.09 4.38 0.00 1.81 2.24 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 54 G 7.23 3.76 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 0.00 0.00 0.00 55 R 6.83 3.48 0.00 1.77 1.77 0.00 3.32 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 56 Q 9.08 4.48 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 57 V 8.28 3.34 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 0.80 0.00 0.00 1.02 0.00 0.00 58 L 8.34 4.25 0.00 1.60 1.48 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.07 4.16 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