NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8787 8.3393 109.7366 45.1904 0.0000 173.7106 2 S 4.5992 7.7675 112.5875 55.4678 65.5337 171.4770 3 S 4.4477 8.3566 115.6427 57.9780 66.8807 175.3345 4 G 3.9597 9.0248 113.7839 46.3170 0.0000 172.9226 5 S 4.2382 8.4059 118.5804 61.1121 63.0922 175.3938 6 S 4.1133 8.0106 113.4718 62.0150 62.4887 174.3027 7 G 4.1942 8.0280 105.8230 44.9467 0.0000 173.3701 8 M 4.1573 8.4580 119.6599 56.7736 32.7352 177.2963 9 A 4.2794 7.6944 121.2922 52.2542 16.7806 175.6646 10 T 4.4130 7.9669 117.7725 63.0623 70.4313 173.7928 11 K 5.0330 8.6151 123.2965 54.6477 36.3945 174.8517 12 A 4.8986 8.1810 123.4275 50.4183 22.8770 174.9330 13 R 4.5897 8.4451 121.9350 54.5063 32.6205 175.4922 14 V 3.8498 8.0266 125.8816 62.9087 32.1230 176.6452 15 M 3.8509 8.4368 127.5191 57.2147 32.2703 176.3534 16 Y 5.0074 7.1993 113.8142 55.7367 41.9014 175.3067 17 D 4.5971 9.1734 122.9326 55.1056 41.5373 175.3566 18 F 5.2142 8.8972 125.7603 56.3485 42.0582 174.1411 19 A 4.7662 7.3108 125.0980 49.8389 21.5778 175.0000 20 A 4.4864 8.0023 123.6080 49.6823 20.7488 177.0789 21 E 3.9945 8.7798 122.1372 55.4822 30.2613 175.1767 22 P 4.2558 0.0000 0.0000 63.8530 31.8973 176.4029 23 G 3.7562 8.8295 112.1381 46.9095 0.0000 172.1716 24 N 5.1221 7.7553 114.4771 50.6500 40.8476 173.3028 25 N 5.0360 8.4571 112.9798 53.9508 38.8518 174.6140 26 E 5.4068 7.9814 116.1759 54.5947 32.8536 175.2443 27 L 4.8191 8.5450 123.3477 53.8138 44.6292 175.5892 28 T 4.5823 8.4151 120.9693 62.3855 69.5345 174.2938 29 V 4.8186 8.5719 118.3530 59.8437 36.8527 174.2385 30 T 4.7514 8.1681 109.8731 59.5525 72.5429 173.1435 31 E 4.3297 9.0469 124.2996 57.9556 30.0157 176.7830 32 G 4.0535 8.8750 114.9409 45.2339 0.0000 173.3917 33 E 4.1866 8.0911 121.4636 56.1726 30.6215 175.8121 34 I 4.8278 8.3538 127.0330 59.7818 39.7535 174.4301 35 I 4.7478 7.9023 117.2220 59.9207 42.0985 173.3983 36 T 4.6671 8.0432 117.2079 62.2246 70.0182 174.5607 37 V 4.3464 8.3040 127.4989 62.5835 31.9152 174.9150 38 T 4.3571 8.8479 117.5199 62.7545 70.8706 174.3533 39 N 5.0628 7.8841 122.2701 50.3352 38.6806 172.7222 40 P 4.6407 0.0000 0.0000 64.0804 32.2336 177.4712 41 N 4.9179 7.4861 115.4951 51.4991 38.3166 174.2984 42 V 3.6461 8.6166 121.4887 65.3336 32.1914 175.5614 43 G 3.5254 8.8947 118.3283 48.0441 0.0000 171.5867 44 G 3.9425 9.1974 115.5496 44.2785 0.0000 172.4224 45 G 4.3003 8.5612 110.5553 45.8330 0.0000 173.1111 46 W 5.0549 8.5607 117.9624 54.3374 33.7593 174.3632 47 L 5.1994 8.9569 120.1381 54.3374 44.0889 174.6358 48 E 5.0708 9.3756 122.3977 54.6928 31.6819 174.9436 49 G 4.5743 8.7961 113.1425 44.2803 0.0000 171.1658 50 K 5.2838 8.6776 122.3440 54.4264 35.3980 175.2993 51 N 4.9948 8.5367 122.9162 50.6982 39.7357 175.4131 52 N 4.3976 8.7230 115.1379 56.4772 38.5485 177.1365 53 K 3.9840 7.9257 116.1412 58.0106 32.2258 177.9087 54 G 3.9972 8.5281 106.9719 44.7201 0.0000 173.3446 55 E 4.3906 8.4154 119.8751 56.0031 31.0105 175.6251 56 Q 5.2286 8.6454 121.2144 54.3138 31.9004 175.0140 57 G 4.3341 8.7216 108.8621 44.7393 0.0000 171.5115 58 L 5.0233 8.9903 120.9235 54.3193 43.3472 176.5817 59 V 4.8321 9.1447 122.5172 60.2578 35.6171 172.7348 60 P 3.3472 0.0000 0.0000 62.0482 31.4090 177.3498 61 T 3.8484 7.6838 113.6541 64.2058 68.7266 176.0766 62 D 4.2688 7.7461 120.9277 56.7756 41.3921 176.7840 63 Y 4.2737 8.3671 117.3816 59.0502 38.5131 175.8855 64 V 4.6481 7.2245 111.5036 59.2073 34.4223 174.5646 65 E 4.4692 8.1505 125.8883 54.2027 30.3234 175.4389 66 I 3.8537 8.3951 127.6081 62.3119 37.7565 175.4886 67 L 4.7951 8.5772 126.2718 52.3039 43.3995 174.9505 68 P 4.4471 0.0000 0.0000 62.8212 32.1343 174.5676 69 N 4.8220 8.0594 115.8941 50.8364 41.0873 174.0794 70 D 4.3469 8.4946 118.2119 54.7526 40.2116 175.8989 71 G 3.7315 8.4269 115.2360 44.3987 0.0000 171.2984 72 K 3.9318 8.4777 121.8146 55.6610 31.9170 175.9535 73 D 4.5220 8.5636 126.6223 52.5073 39.9312 174.6181 74 P 4.4318 0.0000 0.0000 62.3272 32.0315 175.7048 75 F 4.0867 8.5495 122.2351 57.3564 40.0533 173.9662 76 S 3.9105 7.6294 117.1576 58.4551 61.8935 173.7466 77 C 4.3788 8.6242 121.5416 58.5388 29.4215 173.4585 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 G 8.34 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 0.00 0.00 0.00 2 S 7.77 4.60 0.00 4.04 3.87 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 0.00 0.00 0.00 3 S 8.36 4.45 0.00 3.81 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 4 G 9.02 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.41 4.24 0.00 3.85 3.89 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 6 S 8.01 4.11 0.00 3.87 3.86 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 7 G 8.03 4.19 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 0.00 0.00 0.00 8 M 8.46 4.16 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 9 A 7.69 4.28 1.25 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 0.00 0.00 0.00 10 T 7.97 4.41 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 11 K 8.62 5.03 0.00 1.62 1.65 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.34 7.81 12 A 8.18 4.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.59 0.00 1.84 1.75 0.00 3.27 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 14 V 8.03 3.85 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.03 0.00 0.00 15 M 8.44 3.85 0.00 1.25 1.04 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 16 Y 7.20 5.01 0.00 2.84 2.76 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 17 D 9.17 4.60 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.90 5.21 0.00 3.20 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 19 A 7.31 4.77 0.99 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 0.00 0.00 20 A 8.00 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 3.99 0.00 1.95 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 2.29 2.27 0.00 22 P 0.00 4.26 0.00 2.16 2.05 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 23 G 8.83 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 24 N 7.76 5.12 0.00 2.83 2.90 0.00 0.00 6.09 6.87 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 25 N 8.46 5.04 0.00 2.73 2.82 0.00 0.00 6.55 7.64 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 26 E 7.98 5.41 0.00 1.91 2.03 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 2.41 2.29 0.00 27 L 8.55 4.82 0.00 1.72 1.61 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.42 4.58 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 1.21 0.00 0.00 29 V 8.57 4.82 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 0.95 0.00 0.00 1.08 0.00 0.00 30 T 8.17 4.75 4.28 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 1.24 0.00 0.00 31 E 9.05 4.33 0.00 2.08 2.11 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 2.44 2.49 0.00 32 G 8.87 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.09 4.19 0.00 2.15 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 2.32 2.35 0.00 34 I 8.35 4.83 1.87 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 1.57 1.02 0.98 0.00 0.00 35 I 7.90 4.75 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.93 0.00 0.00 36 T 8.04 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 1.22 0.00 0.00 37 V 8.30 4.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 38 T 8.85 4.36 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 39 N 7.88 5.06 0.00 2.76 2.71 0.00 0.00 6.94 7.73 0.00 0.00 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 4.64 0.00 2.23 2.18 0.00 3.77 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 2.00 1.99 0.00 41 N 7.49 4.92 0.00 2.76 2.79 0.00 0.00 6.94 7.57 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 42 V 8.62 3.65 2.19 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 0.69 0.00 0.00 1.09 0.00 0.00 43 G 8.89 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.20 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 45 G 8.56 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.56 5.05 0.00 3.21 3.15 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 0.00 0.00 0.00 0.00 47 L 8.96 5.20 0.00 1.82 1.73 0.94 0.67 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 48 E 9.38 5.07 0.00 2.05 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 2.24 2.40 0.00 49 G 8.80 4.57 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 0.00 0.00 0.00 50 K 8.68 5.28 0.00 1.86 1.65 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.50 7.81 51 N 8.54 4.99 0.00 3.00 2.95 0.00 0.00 7.07 6.38 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 52 N 8.72 4.40 0.00 2.72 2.94 0.00 0.00 6.89 7.62 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 53 K 7.93 3.98 0.00 1.73 1.88 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.50 7.81 54 G 8.53 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.39 0.00 2.07 1.88 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 2.32 2.44 0.00 56 Q 8.65 5.23 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 57 G 8.72 4.33 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 0.00 58 L 8.99 5.02 0.00 1.76 1.84 0.81 0.89 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 59 V 9.14 4.83 2.09 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 0.94 0.00 0.00 1.03 0.00 0.00 60 P 0.00 3.35 0.00 1.76 0.77 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.44 0.00 61 T 7.68 3.85 4.17 0.00 0.00 0.00 0.00 0.00 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 62 D 7.75 4.27 0.00 2.65 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 63 Y 8.37 4.27 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.22 4.65 2.16 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 0.63 0.00 0.00 0.89 0.00 0.00 65 E 8.15 4.47 0.00 1.82 1.79 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 2.18 2.26 0.00 66 I 8.40 3.85 1.86 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 1.34 0.63 0.98 0.00 0.00 67 L 8.58 4.80 0.00 1.48 1.56 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.45 0.00 2.17 2.06 0.00 3.71 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 1.98 1.98 0.00 69 N 8.06 4.82 0.00 2.76 2.81 0.00 0.00 6.91 8.06 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 70 D 8.49 4.35 0.00 2.61 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 71 G 8.43 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.48 3.93 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 73 D 8.56 4.52 0.00 2.80 2.66 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 74 P 0.00 4.43 0.00 2.24 2.13 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 75 F 8.55 4.09 0.00 2.98 3.05 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 0.00 0.00 0.00 76 S 7.63 3.91 0.00 3.56 3.87 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 0.00 0.00 0.00 77 C 8.62 4.38 0.00 3.13 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