NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3230 8.3293 119.6867 55.6495 29.3396 175.2182 2 P 4.4932 0.0000 0.0000 61.5567 33.7551 171.6901 3 V 3.9125 8.4765 110.1646 62.5775 32.7958 177.3923 4 G 4.2651 7.3395 113.9079 45.6602 0.0000 173.6073 5 I 3.9197 7.7883 120.6613 60.8890 36.0633 175.4331 6 N 4.7028 8.3531 123.0773 52.8190 39.7998 176.5650 7 T 4.3352 8.0006 111.8668 59.8633 67.4287 172.9888 8 S 4.4935 7.2895 120.0915 58.1464 66.4316 173.6497 9 T 4.3525 7.9977 110.5274 61.7541 70.6899 171.9513 10 T 4.2980 7.7056 113.2793 62.4356 69.4093 172.4573 11 C 4.6484 8.3761 119.1686 56.0938 42.3427 171.6209 12 C 4.6866 7.7025 113.8932 55.1688 43.5564 173.1613 13 Y 4.3354 8.5015 121.6967 57.7777 37.8601 175.1669 14 R 4.3290 7.6019 119.6799 54.9990 30.8614 175.9432 15 F 4.5944 8.9312 122.4517 55.8782 39.7879 175.2321 16 I 4.4050 8.4200 127.4165 60.2191 37.8400 175.3573 17 N 4.9161 8.8614 122.4930 53.0442 38.6777 175.0434 18 K 4.5338 7.7191 117.3311 54.2798 34.1801 176.5673 19 K 4.3841 8.3819 119.9592 56.9652 32.5886 176.6689 20 I 4.2430 8.2597 122.4611 58.7931 39.0101 174.9068 21 P 4.2876 0.0000 0.0000 62.5599 31.1584 176.9113 22 K 3.6090 8.3790 125.9086 59.6572 32.0041 177.9476 23 Q 4.0016 8.0029 118.3356 58.8958 28.8237 177.4937 24 R 4.4512 7.6352 116.4730 55.2212 30.2487 175.8097 25 L 4.6017 7.2263 120.5209 54.1517 41.9007 176.0643 26 E 4.5638 8.6973 123.3633 57.4466 31.8496 175.4712 27 S 4.8682 7.8675 111.7859 58.4765 66.8521 173.2371 28 Y 5.1654 7.5945 115.8479 56.2814 40.1464 174.0745 29 R 4.5054 8.7753 119.8333 54.6993 32.1322 175.3313 30 R 4.8587 8.2569 119.5337 54.9349 32.6082 176.0880 31 T 4.2894 7.9740 118.6770 63.3457 70.1811 174.3399 32 T 4.4186 8.1279 119.2926 62.2992 69.5231 176.4926 33 S 4.0386 8.7807 123.3212 61.7618 63.2513 176.0173 34 S 4.2493 8.1523 115.1889 61.5116 62.7441 174.9323 35 H 4.5006 8.1533 115.3033 56.7710 29.4364 175.7950 36 C 4.7533 8.5798 120.0799 54.3559 44.4575 171.8630 37 P 4.2249 0.0000 0.0000 64.5505 31.5335 176.4734 38 R 4.6413 7.6669 117.3138 53.9111 32.8640 174.7694 39 E 4.1007 8.8873 122.9626 56.3471 30.2078 176.0177 40 A 4.7628 8.1967 123.5054 50.5530 23.2706 174.7623 41 V 4.3344 8.0204 111.8481 59.6454 34.4194 175.0540 42 I 4.7327 8.4901 125.6547 59.5596 39.8933 174.4714 43 F 4.9778 8.9965 126.0224 56.1613 40.8352 174.8633 44 K 4.7870 9.6018 124.4970 55.4279 33.8394 176.4635 45 T 4.8675 8.1036 121.3427 60.8678 70.8313 176.1915 46 K 4.0332 8.7311 121.6439 59.2123 32.1253 177.7980 47 L 4.5513 7.8081 117.4322 54.7793 41.9362 175.7220 48 D 4.3120 7.5617 115.2305 55.4159 39.0256 174.2554 49 K 4.4571 7.9381 118.4522 55.0868 33.8921 175.5038 50 E 5.5804 8.6069 125.2477 54.2179 31.1006 175.7742 51 I 4.5856 8.2472 124.9136 59.4934 40.4348 175.7352 52 C 5.0533 8.9203 124.3195 56.8115 40.6289 172.9300 53 A 4.9426 8.9193 123.7117 49.7269 22.3155 175.1051 54 D 4.6700 9.1759 121.7354 54.0300 41.4979 174.7161 55 P 4.6885 0.0000 0.0000 62.7663 30.4889 174.6626 56 T 4.8396 8.3278 119.2078 65.2604 76.2929 174.7921 57 Q 4.5653 8.2036 120.0640 54.8911 29.9968 177.2412 58 K 4.5833 9.0587 122.1557 58.5474 32.0493 179.3389 59 W 4.2391 8.7916 117.0693 60.0955 27.5663 178.6717 60 V 3.4663 6.5955 112.3646 63.9736 31.0919 178.5290 61 Q 3.9337 7.9458 117.3318 59.0397 28.5821 178.4927 62 D 4.3059 8.9599 121.0701 57.3845 40.7323 178.8740 63 F 4.2799 7.9178 118.2430 60.7841 38.8752 177.5318 64 M 3.5619 8.3321 118.7911 58.1875 31.1799 178.9845 65 K 4.0104 7.9395 118.0780 59.8329 32.0590 178.9392 66 H 4.2316 7.9194 116.6927 59.2477 29.8628 176.9883 67 L 4.2696 8.8176 121.0994 57.8915 41.5596 178.8288 68 D 4.4659 8.7748 118.4423 55.7022 40.9401 180.0938 69 K 3.5316 8.0430 114.3023 57.5444 32.8128 175.5550 70 K 4.2618 8.4357 119.2001 57.0880 32.9861 175.8236 71 T 4.6698 7.5682 119.6710 64.1125 76.0136 173.3850 72 Q 4.3165 7.7417 123.1951 55.2461 30.2767 175.7398 73 T 4.3236 8.2551 112.7101 59.8733 70.0508 174.3041 74 P 4.5988 0.0000 0.0000 61.6652 30.0158 176.2908 75 K 4.2407 7.4810 119.2993 56.8474 33.4630 177.5468 76 L 4.3061 8.1309 122.2028 55.3809 42.3684 176.0883 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 Q 8.33 4.32 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 2 P 0.00 4.49 0.00 2.26 2.10 0.00 3.75 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 2.07 2.06 0.00 3 V 8.48 3.91 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 0.66 0.00 0.00 0.93 0.00 0.00 4 G 7.34 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 0.00 0.00 0.00 0.00 5 I 7.79 3.92 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.45 0.91 0.00 0.00 6 N 8.35 4.70 0.00 2.69 2.74 0.00 0.00 7.12 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.00 4.34 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 8 S 7.29 4.49 0.00 3.91 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 9 T 8.00 4.35 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 1.17 0.00 0.00 10 T 7.71 4.30 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 1.19 0.00 0.00 11 C 8.38 4.65 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.70 4.69 0.00 2.89 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 Y 8.50 4.34 0.00 3.08 3.16 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 14 R 7.60 4.33 0.00 1.71 1.86 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 15 F 8.93 4.59 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.42 4.40 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 1.01 0.00 0.00 17 N 8.86 4.92 0.00 2.73 2.79 0.00 0.00 7.13 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 18 K 7.72 4.53 0.00 1.79 1.75 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.47 7.81 19 K 8.38 4.38 0.00 1.78 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.43 7.81 20 I 8.26 4.24 1.07 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.19 0.00 0.00 21 P 0.00 4.29 0.00 2.18 2.18 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 22 K 8.38 3.61 0.00 1.97 1.90 0.00 1.97 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.74 7.81 23 Q 8.00 4.00 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 24 R 7.64 4.45 0.00 1.81 1.90 0.00 3.14 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 25 L 7.23 4.60 0.00 1.72 1.56 -0.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.70 4.56 0.00 1.95 1.98 0.00 0.00 0.00 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 2.21 0.00 27 S 7.87 4.87 0.00 3.67 3.92 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 28 Y 7.59 5.17 0.00 2.49 2.65 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 0.00 0.00 0.00 0.00 29 R 8.78 4.51 0.00 1.80 1.96 0.00 2.68 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 30 R 8.26 4.86 0.00 1.67 1.85 0.00 3.24 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 31 T 7.97 4.29 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 1.14 0.00 0.00 32 T 8.13 4.42 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 1.33 0.00 0.00 33 S 8.78 4.04 0.00 3.86 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 34 S 8.15 4.25 0.00 3.86 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 35 H 8.15 4.50 0.00 3.14 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.58 4.75 0.00 2.92 2.97 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 0.00 0.00 0.00 37 P 0.00 4.22 0.00 2.34 2.25 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 2.22 2.15 0.00 38 R 7.67 4.64 0.00 1.81 2.00 0.00 3.55 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 39 E 8.89 4.10 0.00 1.99 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 2.32 2.33 0.00 40 A 8.20 4.76 1.04 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 41 V 8.02 4.33 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 0.60 0.00 0.00 0.84 0.00 0.00 42 I 8.49 4.73 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.87 0.00 0.00 43 F 9.00 4.98 0.00 3.09 2.90 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 0.00 0.00 0.00 44 K 9.60 4.79 0.00 1.68 1.72 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.61 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 45 T 8.10 4.87 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 1.30 0.00 0.00 46 K 8.73 4.03 0.00 1.74 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.47 7.81 47 L 7.81 4.55 0.00 1.62 1.67 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.56 4.31 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.46 0.00 1.70 1.74 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.58 7.81 50 E 8.61 5.58 0.00 1.83 1.87 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 2.23 2.16 0.00 51 I 8.25 4.59 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.94 0.00 0.00 52 C 8.92 5.05 0.00 2.75 2.85 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 53 A 8.92 4.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.18 4.67 0.00 3.07 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 55 P 0.00 4.69 0.00 2.27 2.11 0.00 4.03 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 56 T 8.33 4.84 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 1.27 0.00 0.00 57 Q 8.20 4.57 0.00 2.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 58 K 9.06 4.58 0.00 1.87 2.00 0.00 2.00 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.42 7.81 59 W 8.79 4.24 0.00 3.73 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.60 3.47 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 -0.44 0.00 0.00 0.94 0.00 0.00 61 Q 7.95 3.93 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 62 D 8.96 4.31 0.00 2.47 2.46 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 63 F 7.92 4.28 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.33 3.56 0.00 1.81 2.16 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.81 0.00 65 K 7.94 4.01 0.00 2.04 1.88 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 66 H 7.92 4.23 0.00 3.19 3.62 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.82 4.27 0.00 2.17 2.11 1.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.77 4.47 0.00 2.88 2.79 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 69 K 8.04 3.53 0.00 1.85 1.63 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.57 7.81 70 K 8.44 4.26 0.00 1.74 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 71 T 7.57 4.67 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 1.21 0.00 0.00 72 Q 7.74 4.32 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 73 T 8.26 4.32 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 1.20 0.00 0.00 74 P 0.00 4.60 0.00 2.20 2.14 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 75 K 7.48 4.24 0.00 1.77 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.58 7.81 76 L 8.13 4.31 0.00 1.51 1.45 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00