NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7909 8.3033 117.8301 55.5332 31.1932 174.7937 1 M 3.8961 8.0653 121.8970 56.7973 31.8501 177.0383 2 S 4.1737 8.8183 115.2511 61.7873 63.6138 176.1833 3 T 3.9107 7.8731 118.8695 66.2354 68.1644 176.3767 4 L 3.9781 8.2437 121.2946 57.7566 41.5828 179.5715 5 K 4.0945 7.9609 118.9934 59.4566 32.0610 178.6458 6 E 3.9424 8.2318 118.9116 59.5124 29.3357 179.6279 7 V 3.5733 7.9760 118.1891 66.0194 31.5497 177.9601 8 Q 4.0026 8.3812 118.1584 59.2729 28.5279 178.7788 9 D 4.3492 8.3818 119.9741 57.2931 40.7943 178.3594 10 N 4.3522 8.5003 117.8961 56.5869 38.9060 177.0408 11 I 3.7058 8.1287 121.5976 64.6837 37.2084 178.3389 12 T 3.8575 8.0426 116.6204 66.6754 68.2409 176.2518 13 L 3.9304 8.0939 122.0698 58.6924 42.0397 178.8397 14 H 4.1657 8.5221 116.0245 58.5600 28.5647 177.6910 15 E 3.9554 8.6710 121.1939 59.3173 29.2107 179.0573 16 Q 3.9291 8.2322 119.5665 59.3956 29.1092 178.5058 17 R 3.8809 8.1858 119.2361 59.0774 29.9709 178.8072 18 L 3.9245 8.2013 120.3445 58.0842 42.1606 179.1357 19 V 3.5707 7.7402 118.0846 66.4305 31.3512 178.0831 20 T 3.8742 8.1014 115.5411 67.1064 68.2549 176.8739 21 T 3.9771 8.3418 117.9703 66.4860 68.4221 177.2119 22 R 3.9799 8.4169 120.5729 59.1408 30.0781 178.8820 23 Q 3.9410 7.9839 119.0641 59.0674 29.0811 178.3029 24 K 3.9506 7.8474 119.5585 59.3121 32.0579 178.9682 25 L 3.9495 8.3203 120.9488 58.1530 42.0174 179.1309 26 K 3.9651 8.2179 118.4345 59.6622 31.9755 179.0680 27 D 4.3344 8.0930 118.6520 57.3437 40.7809 178.7305 28 A 4.0193 8.1671 121.2909 54.9474 18.3280 179.3887 29 E 3.8862 8.6168 117.6436 59.7546 29.6160 179.6011 30 R 3.8722 8.0254 118.2871 59.3314 30.0710 178.3024 31 A 3.9864 7.9991 120.6136 55.2793 18.1630 179.8542 32 V 3.5384 7.4591 115.2052 65.9127 31.6523 177.4195 33 E 4.0593 8.1084 118.4300 59.3084 29.4877 178.5701 34 L 4.4586 7.7947 118.0002 56.5366 42.2898 176.9017 35 D 4.3847 8.0086 119.4144 53.0488 42.5878 173.5882 36 P 4.5614 0.0000 0.0000 61.4096 30.4825 175.6635 37 D 4.7179 7.4335 121.7443 53.0226 42.7405 176.9019 38 D 4.3271 8.4625 118.8628 57.4990 40.6741 179.3163 39 V 3.5727 7.6780 118.1334 66.1659 31.6878 177.7190 40 N 4.3444 8.7704 116.5329 56.2327 38.2414 177.6336 41 K 4.0031 8.3116 120.1571 59.3816 32.1156 179.4092 42 S 4.0717 8.3019 113.5950 61.5144 62.3105 176.2059 43 T 3.8402 8.0764 118.6124 66.5887 68.1551 176.2571 44 L 3.9267 8.0137 122.0651 58.2147 42.1434 178.6323 45 Q 3.9612 8.3058 119.7020 59.3775 28.9500 178.6495 46 S 4.1212 8.1142 116.0241 61.7233 62.9175 176.9127 47 R 3.9549 8.1294 120.7530 59.1741 29.6987 179.2912 48 R 3.9037 8.3810 118.0393 59.2978 30.0802 178.9522 49 A 3.9600 8.1670 120.2442 55.1164 18.3658 179.5746 50 A 3.9290 8.1117 119.3106 55.1749 18.4037 180.0815 51 V 3.5221 7.9204 116.8053 66.2205 31.6424 178.2126 52 S 4.3305 8.5854 114.1933 60.8348 62.1216 175.9863 53 A 4.0136 8.2442 123.5855 55.0529 18.0041 179.6404 54 L 3.9697 8.1101 117.5660 57.8915 41.3685 179.4958 55 E 3.9592 8.3505 118.5740 59.8008 29.4555 179.5847 56 T 3.9196 8.0128 115.6414 66.4779 68.4428 176.6053 57 K 4.0643 8.3597 121.8316 59.5734 32.1709 178.7733 58 L 4.0671 8.3177 119.7098 57.7579 41.4983 179.7818 59 G 3.5894 8.1105 105.6875 47.8021 0.0000 175.6786 60 E 3.9847 8.2489 120.9770 59.1544 29.3956 179.4556 61 L 3.9622 8.2592 119.4463 57.7453 41.6929 179.7408 62 K 3.9625 8.2844 118.6263 59.3419 31.8677 179.4489 63 R 3.9156 8.0503 119.1772 59.3103 29.9095 178.3517 64 E 3.9237 8.4083 118.6874 59.2466 29.3625 179.0372 65 L 3.8993 8.2460 120.3784 58.1540 42.1803 178.8848 66 A 3.9755 8.0468 120.6096 55.3481 18.2898 179.3820 67 D 4.2893 8.3258 117.5433 57.3302 40.7764 178.7830 68 L 3.8688 8.2380 121.2384 58.0810 41.9986 179.0569 69 I 3.6652 8.0959 119.9096 64.3337 36.8217 178.2847 70 A 3.9549 7.9183 120.2199 55.0422 18.3640 179.2421 71 A 4.0535 8.1205 119.3699 55.2868 18.5436 179.5923 72 Q 3.9572 8.3483 118.4082 59.2639 28.9042 178.2553 73 K 3.8875 8.1580 119.8781 59.1326 32.2596 177.6744 74 L 4.4649 7.4239 115.6454 54.4540 42.1030 176.4482 75 A 4.1817 7.6726 127.4540 52.4035 18.3302 177.3914 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 0 H 8.30 4.79 0.00 3.47 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.07 3.90 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 2 S 8.82 4.17 0.00 4.05 4.12 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 3 T 7.87 3.91 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 1.23 0.00 0.00 4 L 8.24 3.98 0.00 1.89 1.73 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.96 4.09 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 6 E 8.23 3.94 0.00 2.22 1.99 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 2.45 2.47 0.00 7 V 7.98 3.57 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 1.11 0.00 0.00 0.99 0.00 0.00 8 Q 8.38 4.00 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 9 D 8.38 4.35 0.00 2.96 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 10 N 8.50 4.35 0.00 3.00 2.92 0.00 0.00 7.20 8.65 0.00 0.00 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 I 8.13 3.71 2.04 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 1.51 0.56 0.92 0.00 0.00 12 T 8.04 3.86 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 13 L 8.09 3.93 0.00 1.82 1.87 0.89 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 14 H 8.52 4.17 0.00 3.20 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.67 3.96 0.00 2.11 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 0.00 2.56 2.47 0.00 16 Q 8.23 3.93 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 17 R 8.19 3.88 0.00 1.99 1.94 0.00 2.99 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 18 L 8.20 3.92 0.00 1.84 1.84 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.74 3.57 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 0.98 0.00 0.00 0.95 0.00 0.00 20 T 8.10 3.87 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 21 T 8.34 3.98 4.27 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 1.21 0.00 0.00 22 R 8.42 3.98 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 23 Q 7.98 3.94 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 24 K 7.85 3.95 0.00 1.96 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.59 7.81 25 L 8.32 3.95 0.00 1.72 1.85 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.22 3.97 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.67 7.81 27 D 8.09 4.33 0.00 2.90 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 28 A 8.17 4.02 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.62 3.89 0.00 2.11 2.02 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 2.54 2.47 0.00 30 R 8.03 3.87 0.00 1.94 2.09 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 31 A 8.00 3.99 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.46 3.54 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 0.83 0.00 0.00 0.97 0.00 0.00 33 E 8.11 4.06 0.00 2.11 2.14 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 2.32 2.36 0.00 34 L 7.79 4.46 0.00 1.81 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.01 4.38 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.22 2.19 0.00 3.81 0.00 0.00 3.81 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 37 D 7.43 4.72 0.00 2.97 2.85 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 0.00 0.00 0.00 38 D 8.46 4.33 0.00 2.74 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 39 V 7.68 3.57 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 1.14 0.00 0.00 0.93 0.00 0.00 40 N 8.77 4.34 0.00 2.83 2.85 0.00 0.00 7.09 8.29 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 41 K 8.31 4.00 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 42 S 8.30 4.07 0.00 3.95 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 43 T 8.08 3.84 4.39 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 1.21 0.00 0.00 44 L 8.01 3.93 0.00 1.83 1.87 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.31 3.96 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 46 S 8.11 4.12 0.00 4.07 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 47 R 8.13 3.95 0.00 1.83 1.98 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.81 0.00 48 R 8.38 3.90 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 49 A 8.17 3.96 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 50 A 8.11 3.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.52 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 0.99 0.00 0.00 0.99 0.00 0.00 52 S 8.59 4.33 0.00 3.92 3.84 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 53 A 8.24 4.01 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 54 L 8.11 3.97 0.00 1.89 1.75 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.35 3.96 0.00 2.18 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 0.00 2.33 2.46 0.00 56 T 8.01 3.92 4.38 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 0.00 0.00 0.00 1.23 0.00 0.00 57 K 8.36 4.06 0.00 1.93 1.94 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.37 7.81 58 L 8.32 4.07 0.00 1.92 1.70 0.99 1.14 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 59 G 8.11 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 60 E 8.25 3.98 0.00 2.18 1.99 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 2.32 2.48 0.00 61 L 8.26 3.96 0.00 1.76 1.68 0.74 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.28 3.96 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.53 7.81 63 R 8.05 3.92 0.00 1.89 2.07 0.00 3.09 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 1.61 1.66 0.00 64 E 8.41 3.92 0.00 2.20 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 2.32 2.51 0.00 65 L 8.25 3.90 0.00 1.73 1.84 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.05 3.98 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 67 D 8.33 4.29 0.00 2.82 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 68 L 8.24 3.87 0.00 1.84 1.79 0.83 1.16 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 69 I 8.10 3.67 2.00 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 1.61 0.82 0.91 0.00 0.00 70 A 7.92 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.05 1.28 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 0.00 0.00 72 Q 8.35 3.96 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 73 K 8.16 3.89 0.00 1.89 2.04 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 74 L 7.42 4.46 0.00 1.60 1.69 0.92 0.98 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 75 A 7.67 4.18 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