NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4500 8.3049 118.3341 55.3458 33.4115 174.1044 2 Q 4.3228 8.4323 117.7784 54.0910 29.4250 173.5638 3 I 4.9140 9.0410 124.6833 59.2852 42.2674 174.4802 4 F 4.4878 8.9595 125.4700 55.8343 40.0246 174.6820 5 V 4.3036 7.6583 121.8136 61.1219 33.3638 174.6360 6 K 4.6591 8.4776 126.5145 54.8686 34.4610 175.7900 7 T 4.5008 7.8323 118.0695 59.5503 70.8883 175.4648 8 L 4.1008 8.3955 121.2029 58.1322 40.4850 177.6994 9 T 4.4758 7.8794 108.8110 61.2488 69.0684 174.1073 10 G 4.0566 7.7153 107.5324 47.0332 0.0000 174.1392 11 K 4.1003 8.1170 119.6077 55.6003 33.0530 175.3029 12 T 4.5843 8.2422 120.0256 60.5929 68.5525 173.2504 13 I 4.7180 8.0138 121.7694 59.2105 41.5815 174.1124 14 T 4.7058 8.2504 112.1463 60.0357 70.9262 173.7738 15 L 4.7251 8.1972 123.6851 53.2053 45.3501 175.1832 16 E 4.7385 8.6116 122.8151 54.6809 31.4228 175.4959 17 V 4.5368 8.0153 120.5154 61.1251 34.7695 174.3807 18 E 4.5834 8.5255 123.8794 53.9132 31.7238 174.9323 19 P 4.2026 0.0000 0.0000 65.8565 31.3754 178.8795 20 S 4.5283 7.6507 110.5280 58.3056 63.0755 173.7032 21 D 4.4524 7.8596 120.4681 53.7238 41.2438 175.4958 22 T 4.5559 8.2067 117.6677 60.8773 71.3553 175.2197 23 I 3.6385 8.3127 122.5466 64.3448 38.1727 177.8714 24 E 4.1390 8.0422 119.0031 59.3013 29.0703 178.6625 25 N 4.3918 8.2971 116.8077 56.1258 38.6100 177.5941 26 V 3.7403 8.0016 119.9739 63.7255 31.3526 178.0481 27 K 3.8509 7.9458 120.9491 59.6449 31.6504 178.3498 28 A 4.0021 7.5275 119.7478 54.8551 18.5630 179.4486 29 K 4.0490 7.9369 117.1527 59.6851 32.0284 179.4553 30 I 3.7132 7.7044 118.3392 63.9199 37.5802 177.4280 31 Q 4.0191 7.8132 120.3460 58.5299 28.5806 177.2468 32 D 4.3777 7.6988 118.4944 58.0155 41.0784 177.4566 33 K 4.2054 7.8731 119.3784 56.4754 32.3454 177.6503 34 E 4.5795 8.1787 117.5809 55.5974 29.9323 176.2109 35 G 3.7587 7.7735 108.5313 47.2846 0.0000 172.1300 36 I 3.9867 7.8455 123.8119 60.0724 37.3287 174.4952 37 P 4.2581 0.0000 0.0000 65.0174 30.9763 173.7787 38 P 4.2563 0.0000 0.0000 62.1431 30.6530 176.2911 39 D 4.4978 8.5384 123.1560 55.4279 39.7007 177.2016 40 Q 4.4932 7.8136 118.3300 55.6892 29.3265 175.0198 41 Q 4.3436 7.5494 119.5646 54.9363 29.4784 174.3759 42 R 4.8424 8.1211 121.1332 54.9325 33.5872 173.3872 43 L 4.8025 8.4420 118.7393 54.6698 42.4159 176.9722 44 I 4.4011 8.9098 123.0891 59.0402 35.0753 173.2705 45 F 4.2822 8.1081 125.5095 57.2588 41.9715 173.7225 46 A 3.6962 8.9527 131.2365 53.5064 16.3639 177.2034 47 G 4.0377 7.2526 102.1851 47.9420 0.0000 173.1165 48 K 4.2998 7.7770 118.2389 54.6666 34.4744 175.1302 49 Q 4.3458 8.3485 125.4664 54.8785 29.5866 175.7970 50 L 4.0953 8.4132 124.8531 57.2914 42.6714 177.4157 51 E 4.0160 7.7875 118.1332 58.5794 29.8077 176.0625 52 D 4.6061 7.9329 116.1655 54.4082 41.1212 175.5500 53 G 4.1788 8.3326 105.6150 45.3175 0.0000 173.2574 54 R 4.4708 7.7180 117.3955 54.6643 32.2312 175.9990 55 T 4.7085 8.3926 114.7528 60.2930 69.3957 175.8772 56 L 4.1015 8.2423 125.5670 57.8993 42.1308 179.8335 57 S 4.1421 8.2793 112.7731 61.4416 62.0578 175.7316 58 D 4.5256 7.6933 119.2007 56.1476 38.6838 177.2281 59 Y 4.5501 7.9194 116.5375 56.6994 37.8381 175.3715 60 N 4.6797 8.2122 115.9749 54.1719 36.8145 174.7865 61 I 4.0381 7.2343 119.5127 59.9091 36.8547 175.0854 62 Q 4.4685 8.0638 126.3186 53.5170 30.5968 175.3925 63 K 3.9071 8.3376 117.2262 58.4445 32.5571 176.0171 64 E 3.8045 9.1873 117.8298 57.5506 27.3744 175.2022 65 S 4.4056 7.4502 114.3113 58.6829 63.8107 175.2701 66 T 4.1680 7.5683 118.3049 61.8404 67.0271 172.0741 67 L 4.2514 7.7724 124.1529 53.5485 42.7865 174.7882 68 H 4.8452 8.7622 126.7466 54.5922 31.9248 174.1520 69 L 4.9004 8.4204 125.4508 53.1072 43.7921 175.4775 70 V 4.4202 8.0437 119.3759 61.2553 33.2522 175.2962 71 L 4.1720 8.4671 127.2780 54.7451 42.6846 177.9206 72 R 4.3749 8.2436 126.3586 55.4963 29.3867 176.1460 73 L 4.0438 7.7174 122.6653 57.6336 42.9832 176.4466 74 R 4.3226 7.8182 118.7824 55.0513 30.6237 175.9669 75 G 3.5989 8.7540 115.2859 47.9084 0.0000 173.3747 76 G 4.0137 8.2065 112.4115 45.4352 0.0000 173.1478 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 4.45 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 2 Q 8.43 4.32 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 3 I 9.04 4.91 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 0.97 0.00 0.00 4 F 8.96 4.49 0.00 2.82 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 5 V 7.66 4.30 2.02 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 0.69 0.00 0.00 0.91 0.00 0.00 6 K 8.48 4.66 0.00 1.66 1.60 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.35 7.81 7 T 7.83 4.50 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 1.19 0.00 0.00 8 L 8.40 4.10 0.00 1.78 1.85 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 4.48 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 10 G 7.72 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.12 4.10 0.00 1.73 1.64 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.49 7.81 12 T 8.24 4.58 4.13 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 1.14 0.00 0.00 13 I 8.01 4.72 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.85 0.00 0.00 14 T 8.25 4.71 4.20 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 1.13 0.00 0.00 15 L 8.20 4.73 0.00 1.51 1.49 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.61 4.74 0.00 2.10 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 0.00 2.18 2.26 0.00 17 V 8.02 4.54 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 0.94 0.00 0.00 0.92 0.00 0.00 18 E 8.53 4.58 0.00 2.18 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 0.00 2.45 2.39 0.00 19 P 0.00 4.20 0.00 2.06 2.17 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 S 7.65 4.53 0.00 3.83 3.84 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 21 D 7.86 4.45 0.00 2.95 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 22 T 8.21 4.56 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 1.25 0.00 0.00 23 I 8.31 3.64 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.92 0.00 0.00 24 E 8.04 4.14 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 25 N 8.30 4.39 0.00 2.96 2.97 0.00 0.00 6.78 7.01 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 26 V 8.00 3.74 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 27 K 7.95 3.85 0.00 2.03 1.86 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.50 7.81 28 A 7.53 4.00 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 29 K 7.94 4.05 0.00 2.03 1.85 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.43 7.81 30 I 7.70 3.71 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 0.91 0.00 0.00 31 Q 7.81 4.02 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 32 D 7.70 4.38 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.87 4.21 0.00 1.83 1.72 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.56 7.81 34 E 8.18 4.58 0.00 1.98 1.94 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 2.11 2.29 0.00 35 G 7.77 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 36 I 7.85 3.99 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.91 0.00 0.00 37 P 0.00 4.26 0.00 2.03 2.11 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.08 0.00 3.49 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 39 D 8.54 4.50 0.00 2.76 2.80 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 40 Q 7.81 4.49 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 41 Q 7.55 4.34 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 42 R 8.12 4.84 0.00 1.86 1.98 0.00 3.00 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 43 L 8.44 4.80 0.00 1.85 1.73 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.91 4.40 1.93 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 1.12 0.93 1.05 0.00 0.00 45 F 8.11 4.28 0.00 3.10 2.94 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 46 A 8.95 3.70 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 0.00 0.00 0.00 0.00 0.00 47 G 7.25 4.04 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 0.00 0.00 0.00 48 K 7.78 4.30 0.00 1.86 1.61 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.71 0.21 7.81 49 Q 8.35 4.35 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 50 L 8.41 4.10 0.00 1.57 1.67 0.90 0.99 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 51 E 7.79 4.02 0.00 2.11 2.01 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 2.31 2.23 0.00 52 D 7.93 4.61 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.47 0.00 1.83 1.82 0.00 3.15 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 55 T 8.39 4.71 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 1.31 0.00 0.00 56 L 8.24 4.10 0.00 1.83 1.72 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.14 0.00 3.90 3.88 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 58 D 7.69 4.53 0.00 3.00 2.86 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 0.00 0.00 0.00 59 Y 7.92 4.55 0.00 3.04 3.06 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 0.00 0.00 0.00 0.00 60 N 8.21 4.68 0.00 2.81 2.89 0.00 0.00 6.79 7.02 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 61 I 7.23 4.04 1.96 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 1.30 1.03 0.98 0.00 0.00 62 Q 8.06 4.47 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 63 K 8.34 3.91 0.00 1.89 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 E 9.19 3.80 0.00 2.07 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 0.00 2.22 2.31 0.00 65 S 7.45 4.41 0.00 3.89 3.66 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 0.00 0.00 0.00 0.00 66 T 7.57 4.17 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 1.30 0.00 0.00 67 L 7.77 4.25 0.00 1.50 1.57 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.76 4.85 0.00 3.46 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.42 4.90 0.00 1.69 1.61 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.04 4.42 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 0.81 0.00 0.00 0.96 0.00 0.00 71 L 8.47 4.17 0.00 1.69 1.60 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.24 4.37 0.00 1.76 1.87 0.00 3.39 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 73 L 7.72 4.04 0.00 1.63 1.67 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.82 4.32 0.00 1.81 1.83 0.00 3.45 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 1.57 1.56 0.00 75 G 8.75 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.21 4.01 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 0.00 0.00 0.00