NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3547 0.0000 0.0000 62.3045 33.5772 174.6864 3 K 4.4056 8.5533 126.9776 55.0069 33.4002 173.1534 4 H 5.1088 9.8176 126.4684 54.7033 31.3296 173.6104 5 E 5.0959 8.6758 123.7535 54.4108 32.0271 174.5815 6 F 5.3047 9.4343 125.2651 55.6661 43.2406 173.9703 7 S 4.9940 9.2642 118.0039 57.6088 63.6509 172.9802 8 V 4.7139 8.5594 126.9050 60.4357 33.8286 175.9704 9 D 4.7520 8.4033 130.2648 54.0082 38.3401 175.8755 10 M 4.3723 7.7116 119.5200 55.0984 33.3830 176.9218 11 T 4.5666 8.2607 111.5562 60.9118 69.9704 173.1616 12 C 4.7417 7.5978 116.6950 56.3514 33.4099 174.5785 13 G 3.8008 8.6990 107.5648 48.0422 0.0000 175.8230 14 G 3.7100 8.1200 107.5464 47.8930 0.0000 175.2495 15 C 4.1340 8.1098 118.3591 62.4693 28.2892 175.9850 16 A 3.9635 7.7887 122.4107 55.1951 17.9994 179.3727 17 E 3.9190 8.2910 117.6821 59.2002 29.7952 178.8616 18 A 3.9692 8.1008 121.0873 54.9128 18.4063 179.7156 19 V 3.4252 7.5490 116.9574 66.1623 31.5546 178.3924 20 S 3.6374 7.8032 113.5379 61.4551 62.6981 176.7617 21 R 3.9347 7.9666 121.6178 59.1076 29.8165 179.4473 22 V 3.6390 7.6388 111.8441 64.1227 31.4062 178.7202 23 L 3.8984 7.7129 118.9395 57.6963 41.1758 179.0765 24 N 4.3972 8.2701 115.8536 56.3334 38.5826 176.9900 25 K 4.0677 7.9348 119.7860 59.2545 32.3331 178.3324 26 L 4.0403 7.6822 119.8050 56.9359 42.3241 178.1538 27 G 3.9269 8.0908 104.2468 45.4353 0.0000 172.4662 28 G 4.0307 8.6680 103.7291 46.5972 0.0000 173.9510 29 V 4.8635 7.8157 110.2253 59.0309 35.9957 175.1491 30 K 4.6614 9.1489 124.9151 54.7891 34.8496 174.4868 31 Y 5.6553 7.8186 123.9330 55.6687 41.6721 173.7701 32 D 5.0216 9.3219 118.9834 51.8596 43.2148 174.1158 33 I 4.8506 8.6334 121.9458 59.6416 39.7972 174.3785 34 D 4.7090 9.1209 128.0202 52.5355 42.4725 176.6425 35 L 3.9596 8.6664 128.4887 57.7735 42.5142 177.4336 36 P 4.2887 0.0000 0.0000 65.2297 31.3178 176.9224 37 N 4.6391 8.4106 112.9484 52.3181 39.1506 174.7975 38 K 3.8885 7.9259 117.7149 57.6507 30.5689 174.6237 39 K 5.1122 8.2158 116.2366 54.5709 36.2120 176.3543 40 V 4.8838 9.0602 124.6173 61.3552 34.3423 173.7341 41 C 5.4668 9.1018 125.6427 58.1512 30.9421 172.9221 42 I 5.1597 9.2470 124.2145 59.5761 40.5173 173.9286 43 E 4.9286 9.5772 129.4015 55.4574 30.7301 174.8215 44 S 4.8584 8.4637 119.0896 58.1328 65.5698 175.2160 45 E 4.3169 8.9746 123.2082 57.8893 30.0352 177.0759 46 H 4.2323 7.8389 116.5467 55.6925 29.4195 176.0398 47 S 4.3836 8.5830 118.4937 58.4910 64.8155 175.3572 48 M 3.9712 8.4864 120.3624 58.6353 30.6862 178.4739 49 D 4.3072 7.9276 119.4547 57.3786 41.0061 178.6084 50 T 3.8112 7.7215 115.6982 66.5683 68.4035 176.6650 51 L 3.8300 7.8216 120.8129 57.6140 41.6297 179.1880 52 L 3.7347 8.3131 120.3165 58.3008 41.8139 178.9786 53 A 3.9441 7.9490 119.2757 55.2788 18.2624 179.4504 54 T 3.8790 8.0367 114.4659 66.8791 68.6217 176.9357 55 L 3.8507 7.8845 121.0131 57.6127 41.6350 179.6666 56 K 4.0927 8.2217 118.0776 58.7272 31.6995 179.4232 57 K 4.0326 7.5303 118.4323 59.2551 31.9427 178.8810 58 T 3.9613 7.4496 109.1132 62.9841 68.5125 175.4408 59 G 3.8937 7.8848 108.6762 45.2194 0.0000 173.4892 60 K 4.3530 7.4526 118.4887 55.2882 33.5161 176.6179 61 T 4.1437 8.2796 118.1802 63.7144 69.3499 173.6767 62 V 5.1813 8.4625 126.3121 61.1010 34.4891 174.5730 63 S 4.9376 9.1869 120.8677 56.7996 67.0063 171.9742 64 Y 4.5376 8.7164 122.4085 57.1550 38.8257 174.9475 65 L 4.1253 9.5068 126.7099 54.8586 43.3003 177.6251 66 G 3.3129 5.3800 104.4346 44.6361 0.0000 170.5141 67 L 4.6405 7.4621 122.1541 54.5620 44.9407 176.6258 68 E 4.0868 9.3359 125.2939 56.9524 29.8771 174.1481 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 2 P 0.00 4.35 0.00 2.03 2.04 0.00 4.02 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 2.27 2.01 0.00 3 K 8.55 4.41 0.00 2.08 1.69 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.58 7.81 4 H 9.82 5.11 0.00 3.38 3.35 0.00 5.62 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 5 E 8.68 5.10 0.00 1.89 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 6 F 9.43 5.30 0.00 3.12 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 7 S 9.26 4.99 0.00 3.89 3.79 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 8 V 8.56 4.71 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 0.78 0.00 0.00 0.94 0.00 0.00 9 D 8.40 4.75 0.00 2.74 2.60 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 10 M 7.71 4.37 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 11 T 8.26 4.57 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 12 C 7.60 4.74 0.00 3.12 3.04 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 13 G 8.70 3.80 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 0.00 0.00 0.00 14 G 8.12 3.71 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 0.00 0.00 0.00 15 C 8.11 4.13 0.00 3.15 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 16 A 7.79 3.96 1.36 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 0.00 0.00 0.00 0.00 0.00 17 E 8.29 3.92 0.00 2.07 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 2.34 0.00 18 A 8.10 3.97 1.37 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 0.00 0.00 0.00 0.00 0.00 19 V 7.55 3.43 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 0.85 0.00 0.00 0.93 0.00 0.00 20 S 7.80 3.64 0.00 4.28 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 0.00 21 R 7.97 3.93 0.00 2.01 2.00 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 22 V 7.64 3.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 23 L 7.71 3.90 0.00 1.34 1.48 0.31 0.50 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 24 N 8.27 4.40 0.00 2.88 2.94 0.00 0.00 7.02 7.15 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 25 K 7.93 4.07 0.00 1.79 2.00 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 26 L 7.68 4.04 0.00 1.60 1.82 0.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.09 3.93 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 0.00 0.00 0.00 28 G 8.67 4.03 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 0.00 0.00 0.00 29 V 7.82 4.86 2.32 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 0.88 0.00 0.00 1.16 0.00 0.00 30 K 9.15 4.66 0.00 1.77 1.62 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.24 7.81 31 Y 7.82 5.66 0.00 3.03 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 32 D 9.32 5.02 0.00 2.74 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 33 I 8.63 4.85 1.95 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 1.23 0.81 0.93 0.00 0.00 34 D 9.12 4.71 0.00 2.69 2.70 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 35 L 8.67 3.96 0.00 1.77 1.65 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.29 0.00 2.09 2.11 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 37 N 8.41 4.64 0.00 3.00 2.85 0.00 0.00 7.14 7.76 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 38 K 7.93 3.89 0.00 1.97 2.09 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.40 7.81 39 K 8.22 5.11 0.00 1.70 1.69 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.59 7.81 40 V 9.06 4.88 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 0.97 0.00 0.00 0.93 0.00 0.00 41 C 9.10 5.47 0.00 3.18 2.87 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 42 I 9.25 5.16 2.13 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 1.25 1.08 1.07 0.00 0.00 43 E 9.58 4.93 0.00 2.10 1.97 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 2.28 2.33 0.00 44 S 8.46 4.86 0.00 4.03 3.79 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 45 E 8.97 4.32 0.00 1.95 1.97 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 2.28 2.26 0.00 46 H 7.84 4.23 0.00 3.21 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.58 4.38 0.00 4.04 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 48 M 8.49 3.97 0.00 2.14 1.83 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 2.46 2.30 0.00 49 D 7.93 4.31 0.00 2.68 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 50 T 7.72 3.81 4.37 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 0.00 0.00 1.12 0.00 0.00 51 L 7.82 3.83 0.00 1.94 1.58 1.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.31 3.73 0.00 1.96 1.87 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.95 3.94 1.31 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 0.00 0.00 0.00 54 T 8.04 3.88 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 1.10 0.00 0.00 55 L 7.88 3.85 0.00 1.51 1.50 -0.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.22 4.09 0.00 1.94 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.55 7.81 57 K 7.53 4.03 0.00 1.85 1.83 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.63 7.81 58 T 7.45 3.96 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 59 G 7.88 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 0.00 0.00 0.00 60 K 7.45 4.35 0.00 1.76 1.73 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 61 T 8.28 4.14 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 1.23 0.00 0.00 62 V 8.46 5.18 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 0.91 0.00 0.00 0.95 0.00 0.00 63 S 9.19 4.94 0.00 3.94 3.95 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 Y 8.72 4.54 0.00 2.88 2.87 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 65 L 9.51 4.13 0.00 1.37 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 G 5.38 3.31 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 0.00 0.00 0.00 0.00 67 L 7.46 4.64 0.00 1.57 1.49 0.73 0.96 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 68 E 9.34 4.09 0.00 2.10 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 2.20 2.20 0.00