NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5760 8.1476 118.3258 55.3084 33.6532 173.4290 2 Q 4.9850 8.2570 117.2614 52.5905 31.2863 172.9678 3 I 4.3664 8.9476 116.4454 58.8722 42.1405 175.0970 4 F 5.4297 8.4562 121.2302 55.7711 42.1355 174.7421 5 V 4.7458 9.0338 124.0687 61.1407 33.3083 174.4222 6 K 4.7298 9.0201 129.0745 56.0660 33.8581 176.7822 7 T 4.8286 7.9857 112.7879 59.4474 71.6339 175.0416 8 L 4.0461 8.5993 122.8159 57.8843 42.1366 177.6567 9 T 4.0491 7.8467 106.9255 62.3793 69.2274 175.5995 10 G 3.9377 7.9371 110.4342 45.0528 0.0000 173.6205 11 K 4.0577 7.5544 120.4925 56.3584 32.5109 175.9658 12 T 4.5517 8.3120 121.1675 62.1284 69.4575 174.3402 13 I 4.1248 8.6113 129.1605 61.1158 38.4484 175.3039 14 T 5.1219 8.5988 124.0120 62.0466 70.0999 174.0924 15 L 4.8213 8.5985 125.7835 52.7994 45.6947 175.1126 16 E 4.7494 8.6938 122.9014 55.0176 30.7304 175.0205 17 V 4.7571 8.8142 119.9740 59.9485 36.5105 174.5383 18 E 4.7018 9.2698 119.2524 54.2323 33.5504 175.5960 19 P 4.4164 0.0000 0.0000 65.5898 31.6406 178.6706 20 S 4.2154 7.9389 111.3861 60.5121 63.6408 174.5475 21 D 4.3952 8.4633 123.0251 54.3678 41.1496 176.4052 22 T 4.6497 8.2079 114.2310 61.0227 71.5537 175.9507 23 I 3.8017 8.2003 121.5526 64.3782 37.0866 178.6447 24 E 3.9985 7.9753 119.5089 59.4328 29.2672 179.2188 25 N 4.3270 7.8136 115.0737 56.3370 38.6706 177.6582 26 V 3.5887 7.5914 119.1983 65.9680 31.5869 178.1777 27 K 4.2313 8.3879 119.3638 58.9276 32.0012 179.2282 28 A 4.0328 7.8847 120.6989 54.9895 18.2634 179.8921 29 K 3.9698 8.1511 117.1544 59.6557 32.0286 179.6574 30 I 3.7380 7.9302 120.1813 64.3793 37.0033 178.2685 31 Q 4.1505 8.0426 121.8181 58.5510 28.5958 178.1717 32 D 4.3155 7.6709 118.7921 57.4928 41.0619 178.6454 33 K 4.1900 7.9474 117.4242 58.4239 32.1706 177.7811 34 E 4.4964 8.6903 116.2800 55.3134 31.6179 177.1939 35 G 3.9394 8.1580 106.6143 44.9182 0.0000 173.7323 36 I 3.7517 7.4922 121.4348 60.5914 37.7229 173.7663 37 P 4.4771 0.0000 0.0000 61.8100 32.0358 175.8568 38 P 4.2996 0.0000 0.0000 65.5956 31.4326 178.1178 39 D 4.4694 8.1296 115.7926 55.2830 39.5001 176.4303 40 Q 4.7419 7.9098 117.7347 55.3208 30.4352 175.0964 41 Q 4.8137 8.2185 119.6531 54.6441 31.0664 175.0402 42 R 4.7472 8.8313 121.3059 54.5158 34.1850 174.0826 43 L 5.2440 8.5719 123.4367 53.0605 44.6794 175.4587 44 I 5.0622 8.5376 122.8504 59.4747 41.4868 174.3698 45 F 4.9101 8.9764 127.7486 56.2434 42.1458 174.6633 46 A 3.3234 9.2692 131.4164 53.0997 15.8152 176.9996 47 G 3.9702 8.2740 109.2275 45.6688 0.0000 173.7700 48 K 4.2264 7.6913 121.7226 55.0489 32.7569 175.3992 49 Q 4.5000 8.5706 128.2741 56.2406 29.6823 174.9588 50 L 4.2497 8.6640 126.9324 53.5409 43.2088 175.8321 51 E 4.5506 9.2965 123.1294 54.9929 31.0039 176.8518 52 D 4.4580 9.1773 124.4567 57.7594 41.2816 179.7503 53 G 3.5929 8.2039 105.9751 48.5447 0.0000 174.3490 54 R 4.0216 7.7623 119.4168 56.0109 29.5018 176.1789 55 T 5.0037 8.0161 110.0247 59.9235 71.3128 175.6454 56 L 4.2806 8.4721 121.0715 57.7546 41.9937 180.2214 57 S 4.1278 8.1173 113.3236 61.2383 63.1613 176.1129 58 D 4.2026 7.5229 118.8506 56.8972 40.5130 176.8710 59 Y 4.6702 7.2574 111.1313 57.0824 38.1310 175.0376 60 N 4.1170 7.9378 116.1421 54.2592 36.5705 174.9852 61 I 3.4324 7.4663 119.7609 60.7227 36.9869 176.2973 62 Q 4.3827 8.0629 125.7762 53.8522 30.7932 174.9035 63 K 3.9127 8.2084 119.8325 58.0304 32.5388 176.5993 64 E 3.4463 8.9852 124.3709 56.7960 27.7317 174.6376 65 S 4.5130 7.3967 114.7041 58.9815 64.0293 173.3338 66 T 5.1661 8.7202 120.4877 62.4863 69.8189 174.1265 67 L 5.1466 9.0894 125.6592 53.3022 45.7382 174.9510 68 H 5.2577 9.1156 119.5833 54.0836 31.2017 173.1793 69 L 5.0203 8.9877 126.1416 53.5451 43.5905 175.5811 70 V 4.4341 8.9033 126.4108 61.0712 34.2404 173.8255 71 L 5.3507 8.5417 127.6249 53.1778 43.2894 176.1115 72 R 4.6922 8.6156 121.6608 54.6550 35.2800 175.5242 73 L 4.1596 8.4586 121.2989 55.1769 41.7404 176.9894 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 8.15 4.58 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 2 Q 8.26 4.99 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 3 I 8.95 4.37 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.73 0.00 0.00 4 F 8.46 5.43 0.00 3.00 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 5 V 9.03 4.75 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 0.99 0.00 0.00 0.94 0.00 0.00 6 K 9.02 4.73 0.00 1.70 1.75 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 7 T 7.99 4.83 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 8 L 8.60 4.05 0.00 1.61 1.75 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.85 4.05 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 7.94 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 11 K 7.55 4.06 0.00 1.86 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.56 7.81 12 T 8.31 4.55 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 1.20 0.00 0.00 13 I 8.61 4.12 1.90 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 1.25 0.63 0.93 0.00 0.00 14 T 8.60 5.12 4.34 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 1.40 0.00 0.00 15 L 8.60 4.82 0.00 1.53 1.49 0.90 0.68 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 16 E 8.69 4.75 0.00 1.92 1.83 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 2.19 2.35 0.00 17 V 8.81 4.76 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 0.70 0.00 0.00 0.90 0.00 0.00 18 E 9.27 4.70 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 19 P 0.00 4.42 0.00 2.14 2.10 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.94 4.22 0.00 3.96 3.98 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 0.00 0.00 0.00 21 D 8.46 4.40 0.00 2.75 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 22 T 8.21 4.65 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.20 3.80 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.06 0.92 0.00 0.00 24 E 7.98 4.00 0.00 2.01 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 2.34 2.56 0.00 25 N 7.81 4.33 0.00 2.97 2.85 0.00 0.00 6.66 7.56 0.00 0.00 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 7.59 3.59 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 1.01 0.00 0.00 1.00 0.00 0.00 27 K 8.39 4.23 0.00 2.04 1.85 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.47 7.81 28 A 7.88 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.97 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 30 I 7.93 3.74 2.14 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 1.41 0.78 0.96 0.00 0.00 31 Q 8.04 4.15 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 32 D 7.67 4.32 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.19 0.00 1.75 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.48 7.81 34 E 8.69 4.50 0.00 2.03 1.95 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 2.23 2.36 0.00 35 G 8.16 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 36 I 7.49 3.75 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.92 0.00 0.00 37 P 0.00 4.48 0.00 2.34 1.97 0.00 3.60 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 2.11 2.11 0.00 38 P 0.00 4.30 0.00 2.18 2.10 0.00 3.60 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 2.11 2.08 0.00 39 D 8.13 4.47 0.00 2.78 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 7.91 4.74 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 41 Q 8.22 4.81 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 42 R 8.83 4.75 0.00 1.85 1.77 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 L 8.57 5.24 0.00 1.54 1.51 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.54 5.06 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.81 0.88 0.00 0.00 45 F 8.98 4.91 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.27 3.32 0.83 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 0.00 0.00 47 G 8.27 3.97 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 0.00 0.00 0.00 48 K 7.69 4.23 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.40 7.81 49 Q 8.57 4.50 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.66 4.25 0.00 1.35 1.11 0.72 -0.05 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 51 E 9.30 4.55 0.00 2.03 1.92 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 2.32 2.36 0.00 52 D 9.18 4.46 0.00 2.72 2.98 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 0.00 0.00 0.00 53 G 8.20 3.59 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 0.00 0.00 0.00 54 R 7.76 4.02 0.00 1.97 1.58 0.00 3.18 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 55 T 8.02 5.00 4.43 0.00 0.00 0.00 0.00 0.00 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 56 L 8.47 4.28 0.00 1.85 1.69 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.12 4.13 0.00 4.01 4.09 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 58 D 7.52 4.20 0.00 2.48 2.27 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 59 Y 7.26 4.67 0.00 2.87 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 60 N 7.94 4.12 0.00 2.99 2.97 0.00 0.00 6.94 6.92 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 61 I 7.47 3.43 1.75 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.36 0.60 0.00 0.00 62 Q 8.06 4.38 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.10 0.00 0.00 0.00 0.00 0.00 2.57 2.31 0.00 63 K 8.21 3.91 0.00 1.67 1.68 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.38 7.81 64 E 8.99 3.45 0.00 2.21 2.37 0.00 0.00 0.00 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 2.26 0.00 65 S 7.40 4.51 0.00 3.85 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 66 T 8.72 5.17 4.34 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 1.22 0.00 0.00 67 L 9.09 5.15 0.00 1.73 1.54 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.12 5.26 0.00 3.14 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.99 5.02 0.00 1.59 1.58 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.90 4.43 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.54 5.35 0.00 1.55 1.56 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.62 4.69 0.00 1.74 1.75 0.00 3.12 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 73 L 8.46 4.16 0.00 1.64 1.58 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00