NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3724 8.3049 120.3282 56.4935 32.5805 174.7216 2 Q 3.2648 8.2561 125.1483 56.1277 26.3401 172.1768 3 K 4.3783 8.3465 118.6263 57.9733 35.6476 175.4865 4 D 4.5732 7.7290 118.5323 53.6661 41.6910 176.3022 5 L 4.2015 8.0893 121.1649 54.7135 42.3374 176.9970 6 H 4.3461 9.0253 122.6891 58.7893 31.5835 175.2841 7 P 4.4298 0.0000 0.0000 63.7818 29.9109 176.9047 8 K 4.2290 8.9809 126.5415 55.3815 34.8282 175.5614 9 A 3.8423 8.1142 121.0646 51.3597 17.4910 176.2953 10 V 4.1736 8.1450 113.9952 64.2228 33.4694 173.9277 11 P 4.1748 0.0000 0.0000 63.1238 31.9654 174.6054 12 C 3.8853 9.7593 112.9414 60.7462 24.8847 174.0384 13 K 4.1532 8.1631 118.0453 57.4798 36.6484 170.9603 14 I 3.1136 8.2510 131.7657 61.7956 36.4501 172.2919 15 I 4.4558 7.6285 118.9743 59.5853 41.1993 172.3458 16 Y 4.3913 8.2205 120.1454 57.1209 39.2204 176.6902 17 Q 4.0360 8.8035 114.6743 56.6840 27.6700 171.2990 18 G 3.5570 6.3624 106.6563 44.3520 0.0000 170.8052 19 Q 5.3250 7.9224 119.2106 53.8837 31.2127 174.7125 20 V 4.2403 8.0751 117.7527 62.1443 32.7609 175.3082 21 V 3.1674 8.3497 121.7949 62.3932 28.9215 170.4789 22 M 4.7427 7.3264 127.9687 55.0295 35.5123 176.2334 23 E 4.4359 8.0718 126.3416 55.3244 29.8255 174.0343 24 T 3.1914 7.8215 119.9269 64.4112 65.4759 170.5522 25 M 4.2164 7.4386 130.4806 54.4872 39.2494 175.3842 26 S 4.5557 8.2032 114.7046 59.4274 65.0705 174.5631 27 T 4.5106 7.4754 110.5008 58.3475 70.6291 173.5972 28 R 3.7896 8.8484 124.9563 56.1885 30.4343 174.7862 29 P 4.6458 0.0000 0.0000 61.6559 33.7379 176.1104 30 E 3.6972 8.8401 119.4643 57.0791 27.8731 176.6761 31 I 3.9170 7.9461 126.3763 58.8386 41.7091 174.1365 32 H 4.5955 8.4868 120.2773 55.7884 27.9604 175.1780 33 V 4.6180 7.0368 116.7029 61.1929 35.2511 173.6964 34 D 4.8643 7.7922 117.7217 53.7085 40.2295 175.0610 35 V 4.7453 6.9218 112.7500 59.6983 36.0798 175.7569 36 W 4.7611 8.8441 120.6558 57.1344 30.1865 177.0339 37 S 4.3713 7.7749 115.5665 59.7904 65.5301 173.8542 38 G 4.1721 7.6733 114.7070 46.7418 0.0000 171.6774 39 V 4.5138 7.8579 118.1454 61.2482 34.6677 174.3133 40 H 5.2046 8.4122 121.0772 53.7145 33.6024 172.2789 41 P 4.9795 0.0000 0.0000 63.1341 32.5057 173.9155 42 F 3.7656 8.7672 118.8278 56.4231 42.4549 171.6649 43 W 5.2310 8.6678 123.6325 57.9177 32.3722 172.0947 44 T 3.6166 9.9610 124.2695 64.5311 67.7826 171.3835 45 G 4.1753 7.9295 112.3650 45.8273 0.0000 171.7494 46 E 4.7554 9.2764 118.6108 56.5127 30.6520 177.1823 47 E 4.7181 9.1777 120.1020 55.3727 33.6589 172.7627 48 R 4.6192 8.1850 122.3395 54.4610 33.2427 174.1213 49 F 3.9986 8.7231 122.7820 60.2112 39.4197 173.6202 50 L 3.2091 8.0209 129.5905 55.2325 38.9217 172.3721 51 D 4.5506 7.5913 120.3407 53.1513 40.4654 176.1614 52 T 4.6703 7.9084 117.4520 64.2082 74.3933 173.4476 53 E 4.7689 8.1238 118.9443 58.6839 37.4300 175.4803 54 G 4.1512 7.9152 105.7693 44.6853 0.0000 173.0810 55 R 4.6479 8.4153 120.2017 56.8354 36.4291 177.6543 56 V 3.2737 7.5392 114.2521 63.4735 32.6884 174.9433 57 D 4.4546 7.9568 119.2269 54.6802 44.7679 173.8768 58 K 4.5755 8.2359 120.2902 58.6436 35.2228 176.4937 59 F 4.5352 8.1078 123.8240 57.9029 40.0383 176.0728 60 N 4.9292 7.2916 112.3682 50.6839 39.5222 173.5295 61 K 4.4836 7.3320 121.8600 57.8028 37.1018 175.5415 62 R 3.8013 7.4578 116.8054 59.2061 30.2249 176.5881 63 F 4.6282 7.1398 116.2215 57.6618 38.9412 177.4834 64 G 4.0841 7.5318 112.8213 44.1655 0.0000 174.6011 65 D 4.5649 7.7777 126.9994 52.6983 42.6498 176.2121 66 S 4.6761 8.1315 113.4459 60.2748 68.4671 175.2992 67 Y 4.3901 8.1022 119.8225 57.4662 35.1411 175.7128 68 R 4.4919 7.4699 120.0932 55.9587 32.6637 177.2880 69 R 4.6056 8.6240 113.9690 56.8162 33.8445 174.0930 70 G 3.3722 7.5265 106.0289 44.2574 0.0000 172.7789 71 S 4.5455 7.3117 119.1241 58.4737 65.5876 175.7713 72 K 4.3366 8.2051 115.6675 56.9508 33.7182 174.9664 73 K 4.0672 8.3612 126.4163 57.2380 32.0310 176.3010 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 8.30 4.37 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 2 Q 8.26 3.26 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 3 K 8.35 4.38 0.00 1.66 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 4 D 7.73 4.57 0.00 2.72 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 5 L 8.09 4.20 0.00 1.64 1.84 0.96 0.92 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 6 H 9.03 4.35 0.00 3.07 3.39 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.43 0.00 2.32 1.71 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 8 K 8.98 4.23 0.00 1.65 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 9 A 8.11 3.84 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 10 V 8.14 4.17 2.38 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 0.90 0.00 0.00 0.97 0.00 0.00 11 P 0.00 4.17 0.00 2.13 2.06 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 12 C 9.76 3.89 0.00 3.18 3.25 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 13 K 8.16 4.15 0.00 1.69 1.60 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 14 I 8.25 3.11 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.89 0.00 0.00 15 I 7.63 4.46 1.42 0.00 0.00 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 0.98 0.44 -0.49 0.00 0.00 16 Y 8.22 4.39 0.00 2.86 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 17 Q 8.80 4.04 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.14 2.51 0.00 18 G 6.36 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.92 5.32 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 20 V 8.08 4.24 2.20 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 0.86 0.00 0.00 1.04 0.00 0.00 21 V 8.35 3.17 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 0.83 0.00 0.00 0.94 0.00 0.00 22 M 7.33 4.74 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 23 E 8.07 4.44 0.00 1.85 1.79 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 2.16 2.25 0.00 24 T 7.82 3.19 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 1.20 0.00 0.00 25 M 7.44 4.22 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 26 S 8.20 4.56 0.00 4.00 3.94 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 27 T 7.48 4.51 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 28 R 8.85 3.79 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 29 P 0.00 4.65 0.00 2.35 2.03 0.00 3.74 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 1.98 1.92 0.00 30 E 8.84 3.70 0.00 1.86 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 2.12 1.70 0.00 31 I 7.95 3.92 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.69 0.87 0.00 0.00 32 H 8.49 4.60 0.00 3.41 3.51 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.04 4.62 2.37 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 1.35 0.00 0.00 1.17 0.00 0.00 34 D 7.79 4.86 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 35 V 6.92 4.75 2.23 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 1.05 0.00 0.00 0.99 0.00 0.00 36 W 8.84 4.76 0.00 3.25 3.22 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 0.00 0.00 0.00 0.00 37 S 7.77 4.37 0.00 3.88 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 38 G 7.67 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.51 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 0.89 0.00 0.00 0.93 0.00 0.00 40 H 8.41 5.20 0.00 3.03 3.02 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.98 0.00 2.20 1.85 0.00 3.67 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 1.90 2.25 0.00 42 F 8.77 3.77 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.67 5.23 0.00 3.45 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 44 T 9.96 3.62 4.36 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 1.28 0.00 0.00 45 G 7.93 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.28 4.76 0.00 1.93 1.59 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 2.23 2.24 0.00 47 E 9.18 4.72 0.00 1.86 1.77 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 2.19 2.27 0.00 48 R 8.19 4.62 0.00 1.82 1.77 0.00 3.54 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 49 F 8.72 4.00 0.00 3.02 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 50 L 8.02 3.21 0.00 0.65 1.43 0.63 1.14 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 51 D 7.59 4.55 0.00 2.78 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 52 T 7.91 4.67 4.18 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 0.00 0.00 0.00 1.18 0.00 0.00 53 E 8.12 4.77 0.00 1.88 1.90 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 2.19 2.20 0.00 54 G 7.92 4.15 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 0.00 0.00 0.00 55 R 8.42 4.65 0.00 1.79 1.94 0.00 3.43 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 56 V 7.54 3.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.05 0.00 0.00 57 D 7.96 4.45 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 4.58 0.00 1.72 1.65 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 59 F 8.11 4.54 0.00 2.84 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 60 N 7.29 4.93 0.00 2.69 2.70 0.00 0.00 6.96 7.61 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 61 K 7.33 4.48 0.00 1.69 1.69 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.29 7.81 62 R 7.46 3.80 0.00 1.28 1.69 0.00 3.36 0.00 0.00 3.24 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 63 F 7.14 4.63 0.00 2.92 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 64 G 7.53 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.78 4.56 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.68 0.00 3.74 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 67 Y 8.10 4.39 0.00 2.90 3.01 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 68 R 7.47 4.49 0.00 1.83 1.95 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 69 R 8.62 4.61 0.00 1.89 2.03 0.00 3.47 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 70 G 7.53 3.37 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 0.00 71 S 7.31 4.55 0.00 3.95 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 72 K 8.21 4.34 0.00 1.83 1.87 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.32 7.81 73 K 8.36 4.07 0.00 1.75 1.84 0.00 1.81 0.00 0.00 2.14 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81