NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5755 8.1476 118.3258 55.3098 33.6527 173.4261 2 Q 4.9874 8.2572 117.2761 52.5976 31.2735 172.9701 3 I 4.3692 8.9472 116.4577 58.8757 42.1857 175.0891 4 F 5.4470 8.4617 121.2258 55.7625 42.1309 174.7610 5 V 4.8126 9.0535 123.9505 61.1358 33.4133 174.4428 6 K 4.9219 9.0181 129.0988 56.1015 33.8882 176.7647 7 T 4.8532 8.2038 113.5221 59.5673 71.6467 175.2766 8 L 4.0929 8.5858 120.9099 57.6199 41.6704 178.6916 9 T 4.0531 7.8410 106.9273 62.3100 69.2303 175.6322 10 G 3.9746 7.8705 110.6318 45.0025 0.0000 174.0896 11 K 4.0134 7.5216 120.0383 56.6993 32.5156 176.0629 12 T 4.7016 8.2454 119.7662 61.8753 70.2408 173.6965 13 I 4.1262 8.6236 128.9654 61.0984 38.4745 175.3099 14 T 5.1240 8.5993 123.9727 62.0641 70.0760 174.0869 15 L 4.8250 8.6085 125.7864 52.7960 45.7291 175.1266 16 E 4.7465 8.6948 122.7755 54.9895 30.7606 175.0166 17 V 4.7607 8.8209 119.9521 59.9138 36.5128 174.5714 18 E 4.7028 9.2924 119.3357 54.2069 33.3101 175.6129 19 P 4.4288 0.0000 0.0000 65.5806 31.6372 178.6724 20 S 4.2139 7.9381 111.3765 60.5053 63.6825 174.5384 21 D 4.3960 8.4686 123.0442 54.3635 41.1002 176.4144 22 T 4.7838 8.2053 114.2342 61.0282 71.5619 175.9441 23 I 3.8073 8.1886 121.4097 64.3659 37.0860 178.6422 24 E 3.9993 7.9725 119.4697 59.4311 29.2479 179.2084 25 N 4.3297 7.8177 115.0571 56.3423 38.6670 177.6714 26 V 3.5834 7.5894 119.2915 65.9291 31.5990 178.1687 27 K 4.2633 8.3851 119.3818 58.9395 32.0138 179.2126 28 A 4.0247 7.9500 120.6477 55.0179 18.2668 179.8820 29 K 3.9653 8.1746 117.1443 59.6613 32.0322 179.6504 30 I 3.7356 7.9269 120.1667 64.3881 37.0001 178.2700 31 Q 4.1617 8.0253 121.7860 58.5677 28.6012 178.1602 32 D 4.3167 7.6760 118.7889 57.4810 41.0500 178.6288 33 K 4.1931 7.9488 117.4368 58.3775 32.1902 177.7661 34 E 4.4926 8.7004 116.3207 55.3211 31.5975 177.1952 35 G 3.9366 8.1452 106.5727 44.9225 0.0000 173.7162 36 I 3.7684 7.4739 121.5137 60.5434 37.7247 173.7821 37 P 4.4707 0.0000 0.0000 61.7655 32.1960 175.8506 38 P 4.3135 0.0000 0.0000 65.5862 31.4577 178.3274 39 D 4.4621 8.1119 116.1718 55.5231 39.6365 176.7234 40 Q 4.5082 8.0575 118.2034 55.4589 29.1455 174.4565 41 Q 5.1890 8.0052 116.8210 54.3791 32.1286 174.6403 42 R 4.7017 8.9547 119.9175 54.5259 34.0982 174.0912 43 L 5.2459 8.5499 123.2407 53.0970 44.6296 175.4345 44 I 5.0525 8.5561 122.8361 59.4610 41.5318 174.3495 45 F 4.9459 9.0639 127.8329 56.1502 42.0029 174.7554 46 A 3.5061 9.3403 131.7397 53.0756 15.8571 176.5708 47 G 3.9717 8.2599 108.9516 45.6380 0.0000 173.7844 48 K 4.1815 7.8169 121.7707 55.2220 32.5908 175.4463 49 Q 4.5170 8.5696 128.3591 56.1909 29.7180 174.8911 50 L 4.2508 8.6683 126.9150 53.4410 43.2340 175.8090 51 E 4.5394 9.2963 123.3065 55.0209 30.9368 176.8900 52 D 4.4442 9.1682 124.4726 57.7580 41.3000 179.7441 53 G 3.5892 8.2101 106.0278 48.5614 0.0000 174.3010 54 R 4.0378 7.7823 119.4517 55.9747 30.5865 176.0244 55 T 5.0264 7.9575 109.9704 60.0328 71.4975 175.4486 56 L 4.2002 8.4157 121.1446 58.0087 41.4212 180.0466 57 S 4.1406 7.8940 113.9309 61.4947 62.5921 176.1325 58 D 4.2676 7.4336 120.5968 56.7738 40.5288 177.3928 59 Y 4.6933 7.3791 113.5708 56.6625 38.4732 175.0993 60 N 4.1136 7.9281 116.2112 54.2535 36.6691 174.9863 61 I 3.4277 7.6539 119.2855 60.6783 37.0986 176.1775 62 Q 4.3700 8.0694 125.6138 53.8441 30.6881 174.9575 63 K 3.9203 8.1902 119.8904 57.9885 32.5356 176.5088 64 E 3.4492 8.9787 124.3391 56.7656 27.7336 174.6404 65 S 4.5121 7.3993 114.7697 58.9786 64.0383 173.3188 66 T 5.1454 8.7336 120.6158 62.5216 69.7000 174.1328 67 L 5.1573 9.1600 125.8435 53.2932 45.7685 174.9230 68 H 5.2646 9.1332 119.0147 54.0509 31.3739 173.0069 69 L 4.9939 8.9986 126.1848 53.5567 43.4962 175.5677 70 V 4.3817 8.9375 126.7515 61.1856 33.9088 173.8677 71 L 5.1820 8.4812 127.9475 53.1145 43.4301 176.4376 72 R 4.2859 8.5414 123.5345 55.5578 31.1435 176.8746 73 L 4.3080 8.3855 121.9579 54.9188 42.1264 176.3341 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 8.15 4.58 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 2 Q 8.26 4.99 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 3 I 8.95 4.37 1.81 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 1.09 0.65 0.73 0.00 0.00 4 F 8.46 5.45 0.00 3.00 2.88 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 5 V 9.05 4.81 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 0.99 0.00 0.00 0.94 0.00 0.00 6 K 9.02 4.92 0.00 1.69 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 7 T 8.20 4.85 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 1.23 0.00 0.00 8 L 8.59 4.09 0.00 1.66 1.78 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.84 4.05 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 10 G 7.87 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 0.00 0.00 0.00 11 K 7.52 4.01 0.00 1.86 1.75 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.42 7.81 12 T 8.25 4.70 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 13 I 8.62 4.13 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.93 0.00 0.00 14 T 8.60 5.12 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 1.38 0.00 0.00 15 L 8.61 4.83 0.00 1.53 1.49 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.75 0.00 1.92 1.83 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 2.18 2.35 0.00 17 V 8.82 4.76 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 0.70 0.00 0.00 0.85 0.00 0.00 18 E 9.29 4.70 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 19 P 0.00 4.43 0.00 2.14 2.10 0.00 3.56 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 2.09 2.06 0.00 20 S 7.94 4.21 0.00 3.96 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 21 D 8.47 4.40 0.00 2.75 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 22 T 8.21 4.78 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 1.25 0.00 0.00 23 I 8.19 3.81 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.06 0.92 0.00 0.00 24 E 7.97 4.00 0.00 2.01 2.01 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 2.34 2.55 0.00 25 N 7.82 4.33 0.00 2.97 2.85 0.00 0.00 6.66 7.56 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 26 V 7.59 3.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.39 4.26 0.00 2.04 1.85 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.48 7.81 28 A 7.95 4.02 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 29 K 8.17 3.97 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 30 I 7.93 3.74 2.13 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 1.41 0.78 0.92 0.00 0.00 31 Q 8.03 4.16 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 32 D 7.68 4.32 0.00 2.89 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 33 K 7.95 4.19 0.00 1.75 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.48 7.81 34 E 8.70 4.49 0.00 2.03 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 2.23 2.36 0.00 35 G 8.15 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 0.00 0.00 0.00 36 I 7.47 3.77 1.88 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 1.42 1.10 0.92 0.00 0.00 37 P 0.00 4.47 0.00 2.34 1.97 0.00 3.61 0.00 0.00 3.89 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 4.31 0.00 2.18 2.10 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.11 4.46 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.06 4.51 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 41 Q 8.01 5.19 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 42 R 8.95 4.70 0.00 1.86 1.82 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.55 5.25 0.00 1.54 1.52 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.56 5.05 1.91 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 1.10 0.85 0.91 0.00 0.00 45 F 9.06 4.95 0.00 2.96 2.82 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 0.00 0.00 0.00 46 A 9.34 3.51 0.80 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 47 G 8.26 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 0.00 0.00 0.00 48 K 7.82 4.18 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.40 7.81 49 Q 8.57 4.52 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.67 4.25 0.00 1.35 1.12 0.73 -0.08 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 51 E 9.30 4.54 0.00 2.03 1.92 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 2.32 2.36 0.00 52 D 9.17 4.44 0.00 2.72 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 53 G 8.21 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 54 R 7.78 4.04 0.00 1.97 1.59 0.00 3.18 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 55 T 7.96 5.03 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.42 4.20 0.00 1.88 1.70 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.89 4.14 0.00 3.98 4.09 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 0.00 0.00 0.00 0.00 58 D 7.43 4.27 0.00 2.52 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 0.00 0.00 0.00 0.00 59 Y 7.38 4.69 0.00 3.04 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 60 N 7.93 4.11 0.00 2.99 2.97 0.00 0.00 6.93 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 I 7.65 3.43 1.73 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.36 0.61 0.00 0.00 62 Q 8.07 4.37 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.10 0.00 0.00 0.00 0.00 0.00 2.57 2.31 0.00 63 K 8.19 3.92 0.00 1.67 1.68 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.38 7.81 64 E 8.98 3.45 0.00 2.21 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 0.00 2.31 2.26 0.00 65 S 7.40 4.51 0.00 3.85 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 66 T 8.73 5.15 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 67 L 9.16 5.16 0.00 1.59 1.55 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.13 5.26 0.00 3.12 3.21 0.00 5.79 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 69 L 9.00 4.99 0.00 1.59 1.58 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.94 4.38 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.48 5.18 0.00 1.56 1.57 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.54 4.29 0.00 1.72 1.86 0.00 3.12 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 73 L 8.39 4.31 0.00 1.60 1.53 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00