NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3954 8.1627 120.6042 55.4969 34.1398 173.4432 2 Q 4.8063 8.3335 126.3439 52.7097 31.3026 172.6118 3 I 4.3994 8.8553 119.7606 58.9098 42.3163 173.3868 4 F 5.5340 8.5336 120.8500 55.7028 42.2673 174.5417 5 V 4.7686 8.9426 123.5603 61.0506 33.7364 173.9548 6 K 5.1295 8.7956 129.7160 54.9655 34.7696 175.7312 7 T 4.8543 8.4834 117.5122 60.0347 71.1742 175.2676 8 L 4.0367 8.5580 122.5824 57.4842 42.1688 177.2798 9 T 4.1227 7.5523 107.1793 62.0863 69.1301 175.7534 10 G 3.9181 8.2075 111.2093 44.9357 0.0000 173.6483 11 K 4.1228 7.7107 122.4614 56.7740 33.1437 175.6502 12 T 5.1125 8.4988 123.4356 61.8317 71.2090 173.3908 13 I 4.7395 8.5968 124.4769 59.6265 41.8395 173.8170 14 T 5.2247 8.6444 124.1089 62.0001 70.7927 173.8071 15 L 4.8309 8.5087 124.2905 52.8591 46.1084 174.9953 16 E 4.7674 8.6857 123.1300 55.3468 30.6158 175.3202 17 V 4.6873 8.8698 119.6825 59.8737 36.5623 173.9703 18 E 4.5909 9.2617 121.3807 53.9781 32.3863 174.7878 19 P 4.0746 0.0000 0.0000 65.9757 31.5224 178.1019 20 S 4.3569 7.9254 108.6152 59.2058 63.2148 173.8804 21 D 4.4869 8.6800 123.8350 54.4748 41.3458 176.3439 22 T 4.7163 8.1714 113.7900 61.1787 71.4952 176.0254 23 I 3.7771 8.4216 122.4270 64.2359 36.9067 178.4848 24 E 3.9434 8.0276 120.3283 59.4051 29.5092 178.5935 25 N 4.3028 8.2307 116.5101 56.3822 38.5592 177.5905 26 V 3.6147 7.7525 119.6786 65.7825 31.5966 178.3485 27 K 4.2089 8.4103 119.5123 58.6868 31.8334 178.8904 28 A 3.9890 8.2515 121.4620 55.4391 18.1710 179.8825 29 K 3.9328 8.1163 116.6255 59.6857 32.0198 179.7254 30 I 3.6983 7.9400 120.1617 64.1977 36.9374 178.2525 31 Q 4.1549 8.4821 122.1555 58.7006 28.6938 177.9764 32 D 4.3254 8.1413 118.8661 57.3650 41.0050 178.5694 33 K 4.0879 8.1418 118.6560 59.1414 32.3956 177.8738 34 E 4.5252 8.9349 116.5403 55.6976 30.8378 177.2395 35 G 3.9298 8.4240 107.0352 44.9242 0.0000 173.3563 36 I 4.0176 7.4395 121.6423 59.6489 37.8072 173.6524 37 P 4.3662 0.0000 0.0000 62.0915 32.1029 175.1902 38 P 4.2363 0.0000 0.0000 65.8476 31.2773 178.0693 39 D 4.5351 8.1220 114.4512 55.3801 39.5928 176.3923 40 Q 4.7749 8.3073 118.9616 55.1064 30.2114 174.4655 41 Q 4.8960 8.6712 120.4885 54.2306 31.2802 174.6405 42 R 4.6587 9.0310 123.6662 54.3908 32.8713 174.8554 43 L 5.1968 8.4786 123.7118 53.0379 44.4723 175.3947 44 I 5.0125 8.9889 124.0291 59.5072 40.8255 174.5530 45 F 4.9407 9.1393 128.3722 56.7637 42.6473 174.2876 46 A 3.4890 8.8024 130.2864 53.2896 15.5056 177.7523 47 G 3.9045 8.1577 106.4250 46.1246 0.0000 173.5761 48 K 4.5805 7.4971 119.4145 54.1319 34.5539 174.9865 49 Q 4.6008 8.5170 124.7408 55.6962 29.7220 175.3284 50 L 3.7828 8.8527 127.6597 54.6096 42.5613 176.4389 51 E 4.4372 10.0300 124.4253 55.3697 30.6078 177.3308 52 D 4.3899 9.1660 123.8486 57.3395 41.0546 178.5807 53 G 3.8808 7.9488 104.8475 45.9656 0.0000 173.7839 54 R 4.3669 8.0601 120.2838 55.7209 30.9931 175.2361 55 T 5.0334 8.2576 109.3717 59.6780 71.3417 175.6385 56 L 3.9425 8.5070 121.2752 57.7655 41.9667 180.2574 57 S 4.2008 8.2015 113.5671 61.3198 63.0762 176.2655 58 D 4.2971 7.9114 120.0458 56.7514 40.5524 176.7600 59 Y 4.5184 7.3466 114.2702 56.7172 37.9776 174.8760 60 N 4.2001 8.2056 117.4482 54.3728 38.0792 174.3136 61 I 3.8317 8.1844 118.0766 60.4944 37.9729 175.6680 62 Q 4.5540 8.3919 123.0058 53.6560 31.6012 173.5752 63 K 3.9544 8.3543 117.2097 57.8564 31.9788 175.7001 64 E 3.5832 9.5940 125.5862 56.8744 27.9135 174.7945 65 S 4.4293 8.1542 116.0510 59.4809 64.3380 173.7782 66 T 5.1377 8.6310 118.4753 62.0344 70.0940 174.2627 67 L 4.6323 9.0164 127.5567 54.6124 43.8613 175.7793 68 H 5.3409 9.3103 117.8468 54.0396 31.8878 172.5590 69 L 5.0597 8.9189 126.1770 53.4540 43.4284 175.6731 70 V 4.5553 9.0479 125.9256 61.0846 35.0198 173.8981 71 L 5.5461 8.7747 126.1921 52.5955 43.1974 176.2753 72 R 4.4852 8.5100 121.5480 54.7035 31.8723 176.2514 73 L 4.1995 8.4524 123.2510 54.4211 41.0362 173.9292 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 4.40 0.00 2.20 1.95 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 2.49 2.44 0.00 2 Q 8.33 4.81 0.00 2.13 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 1.92 2.39 0.00 3 I 8.86 4.40 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.56 0.71 0.00 0.00 4 F 8.53 5.53 0.00 3.08 2.89 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 5 V 8.94 4.77 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 0.94 0.00 0.00 0.92 0.00 0.00 6 K 8.80 5.13 0.00 1.81 1.40 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.34 7.81 7 T 8.48 4.85 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 1.26 0.00 0.00 8 L 8.56 4.04 0.00 1.62 1.75 0.93 0.92 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 9 T 7.55 4.12 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 1.22 0.00 0.00 10 G 8.21 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.71 4.12 0.00 1.89 1.70 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.47 7.81 12 T 8.50 5.11 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 1.17 0.00 0.00 13 I 8.60 4.74 1.90 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 1.26 1.78 1.02 0.00 0.00 14 T 8.64 5.22 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 15 L 8.51 4.83 0.00 1.48 1.45 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.77 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 17 V 8.87 4.69 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 0.64 0.00 0.00 0.83 0.00 0.00 18 E 9.26 4.59 0.00 2.00 1.71 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 2.17 2.27 0.00 19 P 0.00 4.07 0.00 2.19 2.09 0.00 3.62 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 2.10 2.07 0.00 20 S 7.93 4.36 0.00 3.96 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 21 D 8.68 4.49 0.00 2.85 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 22 T 8.17 4.72 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 23 I 8.42 3.78 2.01 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 1.67 1.40 0.90 0.00 0.00 24 E 8.03 3.94 0.00 2.17 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 2.54 0.00 25 N 8.23 4.30 0.00 2.95 2.84 0.00 0.00 6.69 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 26 V 7.75 3.61 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 0.99 0.00 0.00 0.93 0.00 0.00 27 K 8.41 4.21 0.00 2.02 1.83 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.49 7.81 28 A 8.25 3.99 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 29 K 8.12 3.93 0.00 1.98 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.94 3.70 2.11 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 1.40 0.85 0.95 0.00 0.00 31 Q 8.48 4.15 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 D 8.14 4.33 0.00 2.78 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 8.14 4.09 0.00 1.80 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.48 7.81 34 E 8.93 4.53 0.00 2.06 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 2.26 2.44 0.00 35 G 8.42 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 36 I 7.44 4.02 1.87 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 1.42 0.73 0.91 0.00 0.00 37 P 0.00 4.37 0.00 2.17 1.98 0.00 3.76 0.00 0.00 3.99 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 4.24 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.12 4.54 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 8.31 4.77 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 41 Q 8.67 4.90 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 42 R 9.03 4.66 0.00 1.79 1.82 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 1.54 1.57 0.00 43 L 8.48 5.20 0.00 1.53 1.51 0.89 0.77 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 8.99 5.01 1.90 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 1.11 0.84 0.90 0.00 0.00 45 F 9.14 4.94 0.00 2.94 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 46 A 8.80 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.16 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.58 0.00 1.91 1.76 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.57 7.81 49 Q 8.52 4.60 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 50 L 8.85 3.78 0.00 1.34 1.15 0.72 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 10.03 4.44 0.00 2.08 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 2.35 2.38 0.00 52 D 9.17 4.39 0.00 2.80 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 53 G 7.95 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 54 R 8.06 4.37 0.00 2.29 1.74 0.00 3.27 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 55 T 8.26 5.03 4.50 0.00 0.00 0.00 0.00 0.00 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 8.51 3.94 0.00 1.89 1.69 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.20 4.20 0.00 4.02 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 58 D 7.91 4.30 0.00 2.54 2.43 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 0.00 59 Y 7.35 4.52 0.00 3.11 3.12 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 60 N 8.21 4.20 0.00 2.78 2.91 0.00 0.00 7.11 7.54 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 61 I 8.18 3.83 1.85 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.65 0.51 0.00 0.00 62 Q 8.39 4.55 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 63 K 8.35 3.95 0.00 1.71 1.78 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.48 7.81 64 E 9.59 3.58 0.00 2.12 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 0.00 2.29 2.23 0.00 65 S 8.15 4.43 0.00 3.49 3.60 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 66 T 8.63 5.14 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 1.28 0.00 0.00 67 L 9.02 4.63 0.00 1.60 1.59 0.60 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.31 5.34 0.00 3.16 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.92 5.06 0.00 1.60 1.56 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.05 4.56 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 1.02 0.00 0.00 0.95 0.00 0.00 71 L 8.77 5.55 0.00 1.57 1.57 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.51 4.49 0.00 1.83 2.04 0.00 2.96 0.00 0.00 3.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 73 L 8.45 4.20 0.00 1.69 1.48 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00