NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2858 8.2549 119.7104 55.8705 31.7059 174.6765 5 I 3.9565 8.2879 123.4238 60.8879 38.1564 173.8535 6 R 4.9846 9.3592 127.1255 54.6555 33.5105 175.0489 7 K 4.4750 9.1418 121.6245 54.7064 36.1350 174.0750 8 C 4.8241 8.3412 126.4607 54.3645 44.3514 172.7839 9 P 3.9093 0.0000 0.0000 64.8094 31.1639 177.3459 10 K 4.2303 7.7641 118.4451 58.4049 32.7930 176.4588 11 C 4.3503 7.9615 112.6262 56.3037 42.2717 174.0144 12 G 3.7900 8.3115 108.9584 45.0327 0.0000 173.8218 13 R 3.9359 7.6496 118.8220 57.3419 30.9978 174.7430 14 Y 4.8487 8.5320 122.6010 57.3915 39.4739 174.5852 15 T 4.5885 8.8781 116.8877 61.5873 71.1495 173.5730 16 L 4.3315 8.6055 125.2281 55.6039 42.8194 176.6784 17 K 4.4120 7.6933 117.4797 55.9247 33.3040 176.3612 18 E 4.3759 8.4832 117.9157 57.2428 30.7785 176.3688 19 V 4.5622 7.4357 119.0952 61.1546 34.4123 174.7207 20 C 3.7788 8.9205 129.1187 56.1662 44.0634 172.2507 21 P 4.5259 0.0000 0.0000 62.7929 30.7866 177.1828 22 V 4.4534 7.5554 116.7554 62.4235 33.5754 174.5450 23 C 4.8532 7.7802 110.9698 54.0281 42.8174 176.1683 24 G 3.7595 8.2953 108.0105 46.5699 0.0000 174.2802 25 E 4.3148 7.6627 119.2997 55.5635 31.0036 176.2175 26 K 4.6940 8.5422 123.2842 56.8421 32.9373 176.1097 27 T 4.8339 8.2244 116.7664 60.0576 71.1055 173.7593 28 K 4.6979 8.2186 121.8512 54.7203 36.0891 175.6674 29 V 4.0085 8.2884 113.6109 61.6165 31.5557 176.8518 30 A 4.1280 8.7231 127.8622 55.3829 18.6018 178.6254 31 H 4.2210 8.2215 111.6646 55.5060 29.2328 173.8630 32 P 4.6279 0.0000 0.0000 61.4481 32.4629 173.9835 33 P 4.6948 0.0000 0.0000 61.6544 32.2382 176.6222 34 R 4.1148 8.4436 119.5543 56.7604 30.5348 176.2756 35 F 4.7682 8.3926 120.5902 56.4228 41.7597 174.4918 36 S 4.1813 8.1058 125.0138 57.5054 63.1356 173.8242 37 P 4.2497 0.0000 0.0000 65.0000 31.2955 177.1185 38 E 4.0933 7.9453 115.2632 55.8006 30.6773 175.2846 39 D 4.0051 7.5890 117.9847 53.9054 39.7646 171.6972 40 P 4.0279 0.0000 0.0000 65.1074 32.1635 177.5426 41 Y 5.0224 7.3058 115.0999 57.4218 39.0555 178.3901 42 G 3.6370 8.1901 109.6389 47.5051 0.0000 175.2245 43 E 4.0546 8.2070 120.2162 58.4516 29.8542 177.9887 44 Y 4.4320 8.0577 119.4919 60.9358 39.2364 177.2125 45 R 3.6115 8.1121 119.6212 59.5283 30.0904 178.6695 46 R 3.7883 8.3401 118.0971 58.6264 29.7235 179.0682 47 R 3.8458 7.4867 118.4819 59.1234 30.3614 178.2381 48 W 4.4633 7.7978 115.5513 58.6538 28.4658 178.1869 49 K 3.2417 7.1572 120.8113 59.2880 31.4641 178.8934 50 R 3.9668 7.9364 118.2389 58.4793 29.6680 177.5074 51 E 4.6325 7.6215 116.6475 55.9542 29.8771 176.2530 52 V 4.4494 7.8245 109.0567 61.5635 33.0921 175.9708 53 L 4.5296 8.1264 118.1403 54.0633 43.0120 176.7365 54 G 3.8504 8.3850 106.1502 46.2357 0.0000 173.5754 55 I 4.0353 8.4330 126.9904 61.0123 37.2810 175.8084 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 R 8.25 4.29 0.00 1.84 1.96 0.00 3.32 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 5 I 8.29 3.96 2.01 0.00 0.00 0.88 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 0.77 1.11 0.00 0.00 6 R 9.36 4.98 0.00 1.89 1.93 0.00 3.08 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 7 K 9.14 4.48 0.00 1.47 1.43 0.00 1.24 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.00 0.56 7.81 8 C 8.34 4.82 0.00 3.01 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 9 P 0.00 3.91 0.00 2.06 2.08 0.00 3.68 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 2.00 2.04 0.00 10 K 7.76 4.23 0.00 1.67 1.78 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.46 7.81 11 C 7.96 4.35 0.00 3.11 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 12 G 8.31 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 13 R 7.65 3.94 0.00 1.96 1.83 0.00 3.25 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 14 Y 8.53 4.85 0.00 2.90 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 4.59 4.27 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 1.25 0.00 0.00 16 L 8.61 4.33 0.00 1.65 1.68 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.69 4.41 0.00 1.79 1.73 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 18 E 8.48 4.38 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 19 V 7.44 4.56 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 0.83 0.00 0.00 0.93 0.00 0.00 20 C 8.92 3.78 0.00 3.16 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 21 P 0.00 4.53 0.00 2.09 2.05 0.00 3.68 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 2.03 2.14 0.00 22 V 7.56 4.45 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 0.86 0.00 0.00 0.94 0.00 0.00 23 C 7.78 4.85 0.00 3.07 3.20 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 24 G 8.30 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 25 E 7.66 4.31 0.00 1.92 1.86 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 2.60 2.38 0.00 26 K 8.54 4.69 0.00 1.76 1.69 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 T 8.22 4.83 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 1.24 0.00 0.00 28 K 8.22 4.70 0.00 1.87 1.94 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.36 7.81 29 V 8.29 4.01 2.15 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 0.71 0.00 0.00 1.02 0.00 0.00 30 A 8.72 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.22 4.22 0.00 3.15 3.32 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.63 0.00 2.08 2.04 0.00 3.73 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 2.12 0.00 33 P 0.00 4.69 0.00 2.13 2.04 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 34 R 8.44 4.11 0.00 1.86 1.95 0.00 3.35 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 35 F 8.39 4.77 0.00 2.87 2.92 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 0.00 0.00 0.00 36 S 8.11 4.18 0.00 3.62 3.57 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 37 P 0.00 4.25 0.00 2.01 2.16 0.00 3.56 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 2.01 2.13 0.00 38 E 7.95 4.09 0.00 1.79 1.89 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 2.20 2.28 0.00 39 D 7.59 4.01 0.00 2.65 2.49 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 40 P 0.00 4.03 0.00 0.64 1.39 0.00 3.43 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 41 Y 7.31 5.02 0.00 3.20 3.03 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 0.00 0.00 0.00 0.00 42 G 8.19 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 43 E 8.21 4.05 0.00 2.00 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 0.00 2.33 2.46 0.00 44 Y 8.06 4.43 0.00 3.14 3.31 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 45 R 8.11 3.61 0.00 1.96 2.01 0.00 3.10 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 46 R 8.34 3.79 0.00 1.98 1.90 0.00 3.17 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 47 R 7.49 3.85 0.00 2.15 1.99 0.00 3.37 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 48 W 7.80 4.46 0.00 3.43 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 49 K 7.16 3.24 0.00 1.41 1.51 0.00 1.15 0.00 0.00 1.39 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.17 0.94 7.81 50 R 7.94 3.97 0.00 2.06 1.97 0.00 3.14 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 51 E 7.62 4.63 0.00 1.95 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 0.00 2.30 2.42 0.00 52 V 7.82 4.45 2.25 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 1.19 0.00 0.00 1.21 0.00 0.00 53 L 8.13 4.53 0.00 1.60 1.67 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.38 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 4.04 1.91 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 1.15 0.76 0.90 0.00 0.00