NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5066 8.1633 120.2722 55.2857 34.2124 173.8451 1 D 4.9134 8.7981 120.5743 51.0509 43.9115 175.7179 2 G 2.5655 7.5947 111.8036 46.0496 0.0000 170.4856 3 Y 4.9124 7.0681 118.6230 57.4084 40.0799 175.0556 4 I 4.2457 8.1963 123.8221 60.8507 38.6364 174.7263 5 K 4.8334 8.7648 130.0517 55.1412 32.6044 176.8720 6 R 4.3941 8.9043 127.4392 55.7229 30.8425 177.8728 7 R 3.9241 8.7445 119.9834 59.6828 30.0233 177.2289 8 D 4.5024 8.0324 114.1810 54.0718 39.5184 176.7994 9 G 4.0621 8.4577 109.7190 45.7293 0.0000 173.4842 10 C 4.6669 8.3090 117.1522 55.9951 41.2166 173.0035 11 K 4.6276 7.9446 120.6760 55.7558 32.5897 177.3020 12 V 3.6354 8.2607 123.0488 63.0121 32.1531 175.0660 13 A 4.4423 8.2852 129.8452 51.1386 20.3319 177.8808 14 C 4.1239 8.7231 121.6258 56.0006 43.2348 173.5977 15 L 4.0580 7.9368 122.5251 53.9058 42.8452 176.5349 16 I 4.4824 8.7747 117.0087 62.0807 39.6176 176.4798 17 G 4.1488 7.6359 105.2966 45.2014 0.0000 171.8225 18 N 4.4946 8.6814 116.5361 56.7249 38.4796 176.9480 19 E 4.0983 8.3400 120.2076 59.0518 29.7224 178.7564 20 G 3.6563 8.1372 105.4427 48.1287 0.0000 176.1722 21 C 4.2491 8.4650 119.3792 59.5699 39.6667 175.7475 22 D 4.1990 8.2009 119.7436 57.3361 40.7557 178.5541 23 K 4.0277 8.4029 119.3518 59.3814 32.0691 179.2551 24 E 4.0536 8.4418 119.1326 59.4347 29.2966 178.3180 25 C 4.1182 8.3819 118.7428 59.9209 44.6414 175.8888 26 K 4.2307 8.6442 121.2085 58.9612 31.4447 179.1549 27 A 4.1616 8.3677 119.8566 54.2589 18.2731 178.1371 28 Y 4.4394 7.8228 114.0213 57.6742 38.3486 176.5973 29 G 3.9261 8.2802 108.6589 44.8895 0.0000 174.2257 30 G 4.2181 8.3481 108.4671 46.3121 0.0000 174.9400 31 S 4.6392 9.1606 114.2413 60.1451 64.2479 174.4992 32 Y 4.9704 7.7379 121.3735 55.7420 42.0449 173.3403 33 G 4.5297 8.1695 113.2220 44.9664 0.0000 170.3774 34 Y 4.9849 8.7467 117.1040 56.5450 42.0692 172.9585 35 C 4.9195 8.9203 120.7488 54.7873 42.8904 172.9644 36 W 4.3581 8.3271 124.0363 58.8553 28.8196 177.3747 37 T 4.4137 6.2682 114.6109 60.9547 71.8626 172.7744 38 W 3.9791 8.6407 135.0000 58.9415 31.0363 176.1882 39 G 3.5054 7.4107 114.0491 45.0117 0.0000 173.1911 40 L 4.3178 6.7084 118.9614 52.5252 44.2402 175.7400 41 A 4.2917 8.1191 121.6391 52.5556 18.5179 178.5026 42 C 4.4730 8.6994 119.6533 57.2454 42.4902 173.0704 43 W 5.0948 8.9369 131.8680 56.1739 32.5904 174.1558 44 C 5.1929 8.0669 126.1957 55.0151 42.9755 172.4523 45 E 4.7651 9.5074 126.2669 55.7932 31.5550 176.8386 46 G 3.9759 8.9176 110.4113 46.2304 0.0000 173.4724 47 L 4.3480 7.7825 119.1005 53.1801 42.4603 175.6923 48 P 4.4343 0.0000 0.0000 62.4371 32.3378 177.0804 49 D 4.3681 8.9475 121.5332 57.8032 40.7697 178.5850 50 D 4.5820 8.0650 115.1377 54.7743 39.7528 176.4090 51 K 4.6677 8.2968 119.1030 56.5483 33.8615 175.1209 52 T 4.9560 7.5586 117.6661 61.3548 70.0332 174.5361 53 W 4.2715 9.0853 135.0000 57.3857 31.7997 175.5811 54 K 4.2954 7.3107 125.0610 54.0449 35.4065 177.5221 55 S 3.5543 8.0625 117.6103 60.9581 63.2311 176.4065 56 E 3.9371 7.8704 118.1898 58.2435 29.5207 177.1731 57 T 4.4714 6.8349 107.9933 60.6343 69.1626 173.4454 58 N 4.1650 7.6260 121.4900 55.3283 39.0885 174.3402 59 T 4.6057 8.3725 114.0707 61.2727 69.5030 174.4892 60 C 4.4916 8.6581 122.2088 57.8773 44.2574 173.7604 61 G 4.3174 8.6892 113.4511 46.2242 0.0000 173.3226 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 M 8.16 4.51 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 1 D 8.80 4.91 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.07 4.91 0.00 2.96 2.67 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 4 I 8.20 4.25 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 0.14 0.00 0.00 5 K 8.76 4.83 0.00 1.86 1.82 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.59 7.81 6 R 8.90 4.39 0.00 2.16 1.91 0.00 3.13 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 7 R 8.74 3.92 0.00 1.81 2.01 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 8 D 8.03 4.50 0.00 2.83 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 9 G 8.46 4.06 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 0.00 0.00 0.00 10 C 8.31 4.67 0.00 3.12 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 11 K 7.94 4.63 0.00 1.40 1.45 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.72 7.81 12 V 8.26 3.64 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.57 0.00 0.00 13 A 8.29 4.44 0.99 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 0.00 0.00 0.00 0.00 0.00 14 C 8.72 4.12 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.06 0.00 1.48 1.55 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.77 4.48 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 1.39 0.60 0.98 0.00 0.00 17 G 7.64 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 18 N 8.68 4.49 0.00 2.91 3.06 0.00 0.00 6.50 7.66 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 19 E 8.34 4.10 0.00 2.10 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 2.42 2.44 0.00 20 G 8.14 3.66 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 0.00 0.00 0.00 21 C 8.46 4.25 0.00 3.14 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 22 D 8.20 4.20 0.00 2.80 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 23 K 8.40 4.03 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.51 7.81 24 E 8.44 4.05 0.00 1.93 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 2.45 2.44 0.00 25 C 8.38 4.12 0.00 2.99 3.30 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 26 K 8.64 4.23 0.00 2.00 1.88 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.47 7.81 27 A 8.37 4.16 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 28 Y 7.82 4.44 0.00 2.88 2.99 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 0.00 0.00 0.00 29 G 8.28 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 30 G 8.35 4.22 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 0.00 0.00 0.00 31 S 9.16 4.64 0.00 3.92 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 32 Y 7.74 4.97 0.00 3.21 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 33 G 8.17 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.75 4.98 0.00 3.24 3.08 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 35 C 8.92 4.92 0.00 3.13 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.33 4.36 0.00 3.60 2.77 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 0.00 0.00 0.00 37 T 6.27 4.41 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 0.95 0.00 0.00 38 W 8.64 3.98 0.00 3.37 2.99 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 0.00 0.00 0.00 39 G 7.41 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.71 4.32 0.00 0.95 1.23 0.58 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.12 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.70 4.47 0.00 2.81 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 43 W 8.94 5.09 0.00 3.35 2.74 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 0.00 0.00 0.00 44 C 8.07 5.19 0.00 2.84 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 45 E 9.51 4.77 0.00 2.16 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 2.44 2.49 0.00 46 G 8.92 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 0.00 0.00 0.00 47 L 7.78 4.35 0.00 1.69 1.59 0.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.43 0.00 2.38 1.97 0.00 3.71 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 2.13 2.12 0.00 49 D 8.95 4.37 0.00 2.68 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 50 D 8.07 4.58 0.00 2.76 2.78 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 0.00 0.00 0.00 51 K 8.30 4.67 0.00 1.73 1.97 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.75 7.81 52 T 7.56 4.96 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 53 W 9.09 4.27 0.00 3.36 3.32 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 54 K 7.31 4.30 0.00 1.45 1.53 0.00 1.61 0.00 0.00 1.94 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.44 7.81 55 S 8.06 3.55 0.00 4.01 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 56 E 7.87 3.94 0.00 2.02 2.05 0.00 0.00 0.00 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 2.16 0.00 57 T 6.83 4.47 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 1.14 0.00 0.00 58 N 7.63 4.17 0.00 2.53 2.81 0.00 0.00 6.82 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 59 T 8.37 4.61 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 1.27 0.00 0.00 60 C 8.66 4.49 0.00 3.28 3.27 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 0.00 61 G 8.69 4.32 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 0.00