NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4730 8.1633 118.3248 55.3801 33.4633 173.6345 2 Q 4.9620 8.2088 117.6936 52.5231 31.7911 173.3047 3 I 4.5736 8.7208 115.5179 59.2018 42.2862 173.4180 4 F 5.4033 8.9064 121.6649 55.7079 42.4093 174.5617 5 V 4.7952 9.1102 122.8710 61.1442 34.1734 174.1324 6 K 5.2405 9.0641 128.1014 55.0086 34.6653 176.4325 7 T 4.7325 8.4982 115.0544 60.2009 70.7684 175.5854 8 L 3.9595 8.6211 123.6186 58.4111 42.0522 178.1478 9 T 3.9418 7.7617 106.7279 62.9934 68.8962 175.0288 10 G 3.9763 8.0807 110.6759 44.8220 0.0000 173.6701 11 K 4.0887 7.8920 122.0264 56.4409 32.7951 175.3220 12 T 5.0733 8.3925 122.3008 62.0858 70.3706 173.6973 13 I 4.4938 9.0112 127.9725 59.9371 39.5609 174.6663 14 T 5.0281 8.5973 123.7144 62.0961 70.0729 174.0856 15 L 4.8045 8.5959 125.7420 52.8873 45.6278 175.3713 16 E 4.7176 8.6547 121.4168 55.2020 30.7021 175.4730 17 V 4.6972 8.7118 117.7303 59.7037 36.3359 174.5718 18 E 4.7166 9.9204 120.1428 54.0558 33.1782 175.9002 19 P 4.2605 0.0000 0.0000 65.7248 31.5484 178.4531 20 S 4.3507 7.8897 110.2674 59.4156 63.7612 174.2183 21 D 4.4228 8.2620 123.7305 54.6376 41.2992 176.1389 22 T 4.7615 8.1895 113.7399 60.9587 71.5580 175.9462 23 I 3.7262 8.3728 123.0052 64.5150 37.0417 178.3973 24 E 3.9192 8.0777 119.6980 59.4677 29.4593 178.7095 25 N 4.3417 8.0976 116.4926 56.2365 38.5744 177.5968 26 V 3.5660 7.8213 119.6707 65.9430 31.6254 178.2382 27 K 4.3376 8.5859 119.5334 58.9237 31.8845 179.1804 28 A 4.0160 8.0449 121.0815 55.1032 18.2958 179.8808 29 K 3.9872 8.0104 117.0867 59.5937 32.0612 179.7110 30 I 3.7853 7.7737 120.3154 64.1429 36.9727 178.2530 31 Q 4.2400 8.0555 121.9455 58.8629 28.7020 178.0197 32 D 4.4730 7.9936 118.7677 57.0476 40.8595 178.3722 33 K 4.2446 7.7817 117.4762 57.9906 31.3591 178.0218 34 E 4.6237 8.7346 116.8998 55.0540 30.6023 177.6532 35 G 3.7007 8.4366 107.0747 45.6336 0.0000 173.3347 36 I 4.1137 7.0836 121.5940 59.2297 37.8922 173.9544 37 P 4.4171 0.0000 0.0000 61.9326 32.0182 175.6676 38 P 4.2883 0.0000 0.0000 65.8229 31.5176 178.4645 39 D 4.3271 8.1382 116.7248 57.2648 40.8929 177.1933 40 Q 4.3053 8.1495 116.0652 56.3057 29.2758 174.7121 41 Q 4.9497 8.1433 119.1817 54.2471 31.2076 174.6273 42 R 4.6428 8.8336 123.6524 54.6422 32.9715 173.9148 43 L 5.1366 8.4835 126.3339 53.5028 44.2562 175.6890 44 I 5.0598 8.7820 122.6960 59.5231 41.4948 174.2906 45 F 5.1135 8.9776 127.6397 56.5474 42.3130 174.6533 46 A 3.4746 9.3713 130.7117 53.2005 15.7602 177.5019 47 G 3.8779 8.2065 106.7173 45.9410 0.0000 173.3589 48 K 4.5162 7.7327 121.6782 54.2553 33.9107 175.0974 49 Q 4.5246 8.5427 125.1440 55.9619 29.3960 175.2905 50 L 4.2556 8.4455 123.9268 53.2551 43.6866 175.7795 51 E 4.6443 9.3769 122.9207 54.7213 31.6573 176.7134 52 D 4.5123 9.1901 124.0154 57.7919 41.0650 179.7555 53 G 3.6391 8.0517 105.6523 47.8687 0.0000 173.9175 54 R 4.3354 7.9060 119.2426 55.6540 31.1741 175.3427 55 T 5.0316 8.1913 109.2787 59.5663 71.4118 175.6585 56 L 4.0115 8.5680 121.9589 58.0901 42.0489 180.0264 57 S 4.0922 8.3165 113.1314 61.4006 62.5046 175.7735 58 D 4.2792 7.7352 118.9069 57.4114 40.5118 176.9808 59 Y 4.5466 7.4956 113.8105 57.0516 38.1013 174.7463 60 N 4.1272 8.1458 117.6934 54.5444 37.8276 174.7043 61 I 3.6947 8.0481 118.7255 60.1780 37.5106 176.1462 62 Q 4.5153 7.9597 125.7681 53.2583 30.9675 175.1573 63 K 3.8794 8.3271 117.6122 58.9737 32.5312 176.4695 64 E 3.7800 9.2910 120.1301 57.2590 27.7310 174.8705 65 S 4.6062 7.6661 115.0740 58.9278 64.3031 173.1514 66 T 5.2325 8.6897 118.5193 62.0401 70.4826 173.8160 67 L 5.0458 9.3085 125.9597 53.3959 45.3776 174.8760 68 H 5.3033 9.1589 117.9950 54.0103 31.7382 172.9134 69 L 4.9832 9.0013 125.6774 53.4424 43.5998 175.4610 70 V 4.4042 8.9181 126.9597 61.2169 33.9499 174.1429 71 L 5.0103 8.4140 127.2001 53.3784 43.0041 177.5778 72 R 4.3576 9.1281 126.2972 54.9485 28.1253 176.1199 73 L 4.5743 7.8629 121.4149 53.1344 43.9825 176.1906 74 R 4.5841 8.4108 119.5477 54.4762 32.0248 176.8016 75 G 3.7404 8.6309 110.5822 45.6363 0.0000 172.9001 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 8.16 4.47 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 2 Q 8.21 4.96 0.00 1.83 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 3 I 8.72 4.57 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.74 0.00 0.00 4 F 8.91 5.40 0.00 3.05 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 5 V 9.11 4.80 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 0.89 0.00 0.00 0.92 0.00 0.00 6 K 9.06 5.24 0.00 1.76 1.73 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.38 7.81 7 T 8.50 4.73 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 8.62 3.96 0.00 1.61 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.76 3.94 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 10 G 8.08 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 0.00 0.00 0.00 11 K 7.89 4.09 0.00 1.76 1.70 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 T 8.39 5.07 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 1.28 0.00 0.00 13 I 9.01 4.49 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 0.67 0.93 0.00 0.00 14 T 8.60 5.03 4.31 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 1.21 0.00 0.00 15 L 8.60 4.80 0.00 1.47 1.46 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 4.72 0.00 1.80 1.85 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 2.20 2.24 0.00 17 V 8.71 4.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.89 0.00 0.00 18 E 9.92 4.72 0.00 1.75 1.75 0.00 0.00 0.00 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 2.38 0.00 19 P 0.00 4.26 0.00 2.15 2.09 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 2.05 0.00 20 S 7.89 4.35 0.00 3.96 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 21 D 8.26 4.42 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.76 4.47 0.00 0.00 0.00 0.00 0.00 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 8.37 3.73 2.17 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 1.81 1.04 0.96 0.00 0.00 24 E 8.08 3.92 0.00 2.06 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 2.31 2.36 0.00 25 N 8.10 4.34 0.00 2.94 2.84 0.00 0.00 6.69 7.84 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 26 V 7.82 3.57 2.22 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 1.00 0.00 0.00 0.90 0.00 0.00 27 K 8.59 4.34 0.00 2.00 1.84 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.51 7.81 28 A 8.04 4.02 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 8.01 3.99 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 7.77 3.79 2.15 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 1.40 0.70 0.91 0.00 0.00 31 Q 8.06 4.24 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 32 D 7.99 4.47 0.00 2.84 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 33 K 7.78 4.24 0.00 1.89 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 E 8.73 4.62 0.00 2.02 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 2.23 2.43 0.00 35 G 8.44 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.08 4.11 1.87 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 1.30 1.29 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.17 1.97 0.00 3.80 0.00 0.00 3.96 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 4.29 0.00 2.17 2.11 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 39 D 8.14 4.33 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.31 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 8.14 4.95 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 42 R 8.83 4.64 0.00 1.90 1.91 0.00 3.11 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 43 L 8.48 5.14 0.00 1.60 1.52 0.90 0.76 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 44 I 8.78 5.06 2.01 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 1.12 1.10 0.98 0.00 0.00 45 F 8.98 5.11 0.00 2.91 2.78 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 46 A 9.37 3.47 0.64 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 47 G 8.21 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 48 K 7.73 4.52 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 49 Q 8.54 4.52 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.45 4.26 0.00 1.36 1.22 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.38 4.64 0.00 2.01 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 2.30 2.38 0.00 52 D 9.19 4.51 0.00 2.76 2.77 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 0.00 53 G 8.05 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 54 R 7.91 4.34 0.00 1.99 1.61 0.00 2.96 0.00 0.00 2.56 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 55 T 8.19 5.03 4.46 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 1.24 0.00 0.00 56 L 8.57 4.01 0.00 1.86 1.69 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.32 4.09 0.00 3.91 3.83 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 58 D 7.74 4.28 0.00 2.63 2.28 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 0.00 59 Y 7.50 4.55 0.00 3.00 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 60 N 8.15 4.13 0.00 2.83 3.00 0.00 0.00 7.08 7.70 0.00 0.00 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 8.05 3.69 1.75 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.42 0.53 0.00 0.00 62 Q 7.96 4.52 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 63 K 8.33 3.88 0.00 1.83 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.29 3.78 0.00 2.21 2.36 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 2.36 2.31 0.00 65 S 7.67 4.61 0.00 3.65 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 0.00 66 T 8.69 5.23 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 1.23 0.00 0.00 67 L 9.31 5.05 0.00 1.53 1.69 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.16 5.30 0.00 3.05 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.00 4.98 0.00 1.58 1.57 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.92 4.40 2.18 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 0.91 0.00 0.00 0.94 0.00 0.00 71 L 8.41 5.01 0.00 1.56 1.58 0.93 0.94 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 72 R 9.13 4.36 0.00 1.65 1.89 0.00 3.31 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 73 L 7.86 4.57 0.00 1.63 1.58 0.92 1.00 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 74 R 8.41 4.58 0.00 1.77 1.83 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 75 G 8.63 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00