NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2765 8.1133 117.2698 56.2173 29.8105 177.3223 11 T 3.3200 8.3471 110.9895 64.9181 68.3187 174.3095 12 G 3.8827 8.0567 108.2566 47.6726 0.0000 175.1376 13 R 4.0481 7.0803 116.7383 58.6794 29.7504 178.0692 14 F 4.9736 8.5596 118.0410 58.7697 39.3059 176.5415 15 G 3.8272 8.0597 108.1704 46.4363 0.0000 172.3356 16 P 4.6962 0.0000 0.0000 63.0216 31.8689 176.1911 17 R 4.1630 7.4592 117.1473 56.6175 31.8147 175.9126 18 Y 4.0450 8.0079 117.2440 57.1585 36.7381 170.8513 19 G 4.0164 7.9765 103.4301 44.9920 0.0000 172.7447 20 L 3.9422 7.9046 117.1284 57.4751 41.2868 179.7004 21 K 3.8119 8.0188 117.1992 60.1872 32.2928 178.6898 22 I 3.6830 7.8693 119.1035 64.8818 37.1799 178.4739 23 R 4.3757 7.9316 117.0731 58.1987 29.4336 178.8810 24 V 3.6310 8.4273 119.8192 66.0787 31.5022 178.2320 25 R 3.9084 8.2386 117.9198 59.0946 29.8325 179.2370 26 V 3.5912 7.6671 117.8456 65.6874 31.5385 178.0701 27 A 3.9460 8.1701 120.5373 55.2883 18.2715 178.9017 28 D 4.3011 8.2718 117.7028 57.9172 40.9982 179.4816 29 V 3.5753 8.1633 118.5557 66.2191 31.4783 177.8861 30 E 4.2393 8.3918 117.8415 58.6974 29.1129 179.0683 31 I 3.7266 8.1592 118.9203 63.9170 38.4858 177.7020 32 K 4.1743 7.9624 119.0399 59.7584 31.6888 178.5842 33 H 5.0354 8.0717 118.6540 58.4698 29.8794 176.4686 34 K 4.4519 8.0064 116.8049 55.3466 32.5959 176.9364 35 K 4.0940 7.0687 118.7643 56.0722 32.6451 176.4967 36 K 4.1661 8.2745 120.1319 56.5722 32.8680 176.3683 37 H 5.0198 8.5174 120.0952 53.8177 32.1014 173.5064 38 K 4.7057 8.5760 121.9636 55.5106 32.4128 176.3427 39 C 4.0705 9.2895 126.8387 59.7023 31.4464 172.3878 40 P 4.3640 0.0000 0.0000 65.4549 30.7215 177.5000 41 V 3.4493 6.8681 117.7664 65.1748 32.3503 179.7696 42 C 4.5452 7.5943 121.8257 57.9937 31.2455 174.4295 43 G 4.1860 8.6701 110.6687 45.4795 0.0000 172.4756 44 F 4.0318 8.1891 118.7318 56.5579 40.2987 175.6551 45 K 5.1832 7.7625 122.4425 54.2186 29.8195 176.7457 46 K 4.8419 7.6347 118.7790 56.1150 34.0587 176.8803 47 L 5.2900 8.2991 119.3580 53.4682 43.3731 176.8088 48 K 5.0041 9.4799 122.3658 54.3100 36.8641 175.7852 49 R 3.4196 8.6675 122.6300 56.0836 30.4572 176.1944 50 A 4.2821 8.8518 128.4741 52.8320 20.2680 176.4954 51 G 3.6770 6.9148 102.0367 45.5654 0.0000 171.3991 52 T 3.6510 8.5540 116.6566 64.8259 68.2051 174.0216 53 G 4.4107 8.5558 113.9790 46.8030 0.0000 171.2006 54 I 4.8479 7.3841 120.9421 58.9017 39.8162 174.8017 55 W 5.0172 9.0382 126.2314 55.2303 33.1224 174.1953 56 M 5.8003 9.1429 121.0553 53.7909 36.2835 173.1116 57 C 5.2511 8.7133 123.7736 57.8000 32.7691 174.6840 58 G 3.9285 9.1599 116.7959 48.1477 0.0000 173.7833 59 H 4.3849 8.1584 119.8389 58.4166 30.2100 175.5526 60 C 4.2797 8.0910 112.6518 57.8603 30.5261 174.6565 61 G 3.9338 8.7513 109.2587 44.8696 0.0000 172.9199 62 Y 4.2962 7.9831 121.6601 58.2489 39.7756 174.6441 63 K 4.8292 8.4331 128.2885 54.7821 33.7858 175.0394 64 I 4.3473 9.0883 121.9360 58.9710 40.9899 174.0764 65 A 4.9104 8.4279 124.6047 51.0967 20.1188 176.9909 66 G 4.0415 7.9754 108.5386 45.2253 0.0000 171.8784 67 G 4.1143 8.3717 110.0505 45.1898 0.0000 174.2757 68 C 4.0050 8.5971 115.9693 62.1402 28.3761 174.5556 69 Y 4.9256 7.8610 113.5985 57.6830 39.1009 174.8945 70 Q 4.7878 8.0259 118.6639 53.3639 32.8433 174.1907 71 P 2.9700 0.0000 0.0000 64.0165 31.7459 176.1249 72 E 4.6216 7.5673 117.2952 54.0827 32.5204 175.6691 73 T 4.6211 7.9875 112.9595 59.8352 72.8331 175.6823 74 V 3.5788 8.3002 120.6928 66.1744 31.5408 177.9053 75 A 4.3451 8.0151 119.8370 54.3718 18.4009 179.5609 76 G 3.6730 7.9543 103.7861 47.6529 0.0000 175.8764 77 K 4.1458 7.9852 120.2533 59.1865 31.7283 179.2354 78 A 4.1347 7.6981 119.5877 54.6306 17.9364 179.9835 79 V 3.5234 7.1795 115.1796 66.4998 31.7507 176.8731 80 M 4.0832 7.3196 115.5619 58.4940 31.5025 177.7573 81 K 3.8902 7.5650 116.3663 57.1668 32.6265 176.7897 82 A 4.1691 7.3256 129.0018 52.9570 18.1275 177.6632 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 10 R 8.11 4.28 0.00 1.98 1.98 0.00 2.93 0.00 0.00 3.33 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 11 T 8.35 3.32 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 1.32 0.00 0.00 12 G 8.06 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 13 R 7.08 4.05 0.00 1.74 1.97 0.00 2.90 0.00 0.00 3.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.00 14 F 8.56 4.97 0.00 3.31 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 15 G 8.06 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 0.00 0.00 0.00 16 P 0.00 4.70 0.00 2.14 2.12 0.00 3.70 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 1.88 1.94 0.00 17 R 7.46 4.16 0.00 0.80 0.66 0.00 2.86 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.32 0.00 18 Y 8.01 4.05 0.00 3.04 2.96 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 19 G 7.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.94 0.00 1.71 1.65 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.02 3.81 0.00 1.80 1.89 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.58 7.81 22 I 7.87 3.68 2.04 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 1.63 1.37 0.78 0.00 0.00 23 R 7.93 4.38 0.00 2.31 2.56 0.00 3.24 0.00 0.00 3.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.59 0.00 24 V 8.43 3.63 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 1.13 0.00 0.00 0.98 0.00 0.00 25 R 8.24 3.91 0.00 2.02 1.93 0.00 3.16 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 26 V 7.67 3.59 2.41 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 1.09 0.00 0.00 1.12 0.00 0.00 27 A 8.17 3.95 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 28 D 8.27 4.30 0.00 2.92 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 29 V 8.16 3.58 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 0.58 0.00 0.00 0.81 0.00 0.00 30 E 8.39 4.24 0.00 2.14 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 2.35 2.47 0.00 31 I 8.16 3.73 1.97 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 1.54 0.76 1.01 0.00 0.00 32 K 7.96 4.17 0.00 2.16 1.95 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.48 7.81 33 H 8.07 5.04 0.00 3.48 3.63 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.01 4.45 0.00 1.80 1.85 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.60 7.81 35 K 7.07 4.09 0.00 1.89 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.63 7.81 36 K 8.27 4.17 0.00 1.70 1.71 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.52 5.02 0.00 3.17 3.05 0.00 5.61 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 38 K 8.58 4.71 0.00 1.63 1.77 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.41 7.81 39 C 9.29 4.07 0.00 3.08 3.06 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 0.00 0.00 0.00 0.00 40 P 0.00 4.36 0.00 2.26 2.15 0.00 4.03 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 41 V 6.87 3.45 1.68 0.00 0.00 0.00 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 -0.43 0.00 0.00 42 C 7.59 4.55 0.00 3.19 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 43 G 8.67 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 44 F 8.19 4.03 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 5.18 0.00 1.56 1.74 0.00 1.63 0.00 0.00 2.30 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.13 7.81 46 K 7.63 4.84 0.00 1.81 1.85 0.00 1.92 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.75 7.81 47 L 8.30 5.29 0.00 1.75 1.80 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.48 5.00 0.00 1.67 1.69 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 49 R 8.67 3.42 0.00 1.10 1.43 0.00 2.99 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 50 A 8.85 4.28 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.91 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 3.65 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 53 G 8.56 4.41 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 0.00 54 I 7.38 4.85 1.76 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 1.16 1.03 0.82 0.00 0.00 55 W 9.04 5.02 0.00 3.23 3.10 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 0.00 0.00 0.00 0.00 56 M 9.14 5.80 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 57 C 8.71 5.25 0.00 3.21 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 58 G 9.16 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 59 H 8.16 4.38 0.00 3.07 3.34 0.00 5.91 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.09 4.28 0.00 3.09 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 61 G 8.75 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 62 Y 7.98 4.30 0.00 3.05 2.96 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 63 K 8.43 4.83 0.00 1.71 1.56 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.35 7.81 64 I 9.09 4.35 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.98 0.84 0.00 0.00 65 A 8.43 4.91 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 66 G 7.98 4.04 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 0.00 67 G 8.37 4.11 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 0.00 0.00 0.00 68 C 8.60 4.01 0.00 2.34 1.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.86 4.93 0.00 3.12 2.84 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 70 Q 8.03 4.79 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 71 P 0.00 2.97 0.00 1.59 0.80 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 72 E 7.57 4.62 0.00 1.81 1.78 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 2.08 2.08 0.00 73 T 7.99 4.62 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 74 V 8.30 3.58 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 1.04 0.00 0.00 0.94 0.00 0.00 75 A 8.02 4.35 1.32 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 0.00 0.00 76 G 7.95 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.99 4.15 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.66 7.81 78 A 7.70 4.13 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 79 V 7.18 3.52 2.25 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 0.87 0.00 0.00 0.97 0.00 0.00 80 M 7.32 4.08 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 81 K 7.56 3.89 0.00 1.85 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.60 7.81 82 A 7.33 4.17 1.30 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