NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5640 8.1627 120.3332 55.6134 34.9045 175.2225 2 D 4.4158 8.3543 119.0609 54.1511 39.9326 177.3425 3 Q 3.8689 9.1956 124.1408 57.4756 30.6996 175.6769 4 E 4.1452 7.9923 115.6237 59.1803 29.9800 178.8977 5 T 3.8572 7.3393 117.6210 66.4938 68.4010 175.9684 6 R 3.8133 7.9984 116.9590 60.1781 28.8305 178.0395 7 D 4.3506 7.9277 117.4329 56.5228 41.4495 178.3185 8 Q 4.0356 8.2410 118.7475 58.8078 28.8973 177.6039 9 M 3.9196 7.8834 119.0727 59.0004 32.2621 178.5977 10 K 3.9679 7.6233 116.6971 59.5454 32.1460 178.7446 11 N 4.2970 7.9523 116.7776 56.1390 39.0142 176.4148 12 A 3.9593 8.5339 122.1198 55.3987 18.4160 179.2176 13 A 3.8684 7.8011 118.4702 55.4296 18.4311 179.2696 14 A 3.9273 7.7299 118.4419 55.9138 18.3284 179.8555 15 E 3.9547 8.6474 116.0413 58.7848 29.4550 179.1905 16 A 4.1774 7.7133 120.6334 54.3665 18.9194 179.5855 17 K 4.0680 8.4264 117.4850 59.4262 31.9950 179.2054 18 D 4.4278 8.2065 118.5389 56.9345 41.0772 177.4844 19 N 4.5132 7.9955 117.9810 55.8998 39.2204 176.9837 20 V 3.7607 8.0774 119.3839 65.5378 31.8724 177.7106 21 H 4.4231 8.1320 117.5455 58.5732 29.3350 176.1675 22 D 4.2966 8.2610 120.4134 57.2902 40.9785 178.2578 23 K 3.9233 7.6996 118.3690 60.6608 32.3367 178.4620 24 I 3.7720 7.8465 120.7344 63.6206 36.7471 178.2184 25 Q 4.1010 8.1550 121.3456 59.3437 28.8253 179.1828 26 E 3.9322 7.5562 117.6855 59.3311 29.6381 178.3242 27 L 4.3231 8.1955 118.6203 57.0149 42.8193 178.9190 28 K 4.2216 8.3382 116.7819 57.4774 32.1324 178.7466 29 D 4.2522 7.8084 119.4421 56.8491 40.9752 176.7877 30 D 4.6192 7.5006 119.0702 55.4159 41.9641 177.6699 31 V 3.8943 7.5832 117.4395 64.2836 32.7911 178.7934 32 G 3.8357 8.0925 107.9738 46.2998 0.0000 173.9802 33 N 4.3774 7.6303 118.2260 55.6336 39.2868 175.6978 34 K 4.1167 7.9549 119.8668 59.7323 32.4119 177.8514 35 A 3.9577 7.9571 119.9553 55.7894 18.4417 179.0790 36 A 4.0413 8.0399 118.7148 54.8790 17.4213 179.2438 37 E 3.9006 8.2264 116.1161 59.2681 29.4919 180.2651 38 V 3.5400 7.7882 118.3989 66.0255 31.1834 177.6518 39 R 3.8518 7.8613 118.5152 59.8861 29.7176 177.6983 40 D 4.4301 7.7579 116.9321 56.4314 40.9438 177.9867 41 A 3.9667 7.9054 121.3805 55.3266 18.8087 179.6069 42 V 3.7009 7.6796 110.0331 64.4980 31.6929 178.3582 43 S 4.0549 7.6359 111.8066 61.7371 62.2170 175.9581 44 S 4.0711 8.2410 115.6742 62.0651 61.4458 176.2703 45 T 3.8740 7.6845 117.5853 66.8857 68.0682 176.4203 46 V 3.6567 7.6270 119.6611 65.6860 31.3735 177.5778 47 E 3.8969 8.5185 118.6782 59.4153 29.4458 179.8074 48 S 4.2493 8.0174 115.6521 61.3168 62.3924 176.5163 49 I 3.8668 7.5382 114.7412 63.3513 36.9839 178.0561 50 K 3.8978 8.0691 121.1102 59.8188 32.9995 178.1114 51 D 4.4905 7.8520 118.5775 55.4897 41.2914 178.4490 52 K 4.0687 7.8109 119.6399 59.1704 32.3309 177.6306 53 L 4.3100 7.2693 113.1995 55.3566 42.0339 177.7321 54 S 4.1920 7.3931 112.7480 61.3213 62.7057 174.4485 55 G 3.4661 7.4535 112.5798 45.3974 0.0000 174.0192 56 G 3.9338 7.5264 108.6799 44.5305 0.0000 172.5424 57 S 4.8273 8.7195 120.2450 56.7577 64.0589 173.5167 58 S 4.4466 9.0476 117.7548 57.9963 65.2522 173.9674 59 S 4.5289 8.0569 116.7480 57.7597 63.9347 175.5199 60 R 3.9226 8.7015 123.6451 56.8429 29.8555 177.3283 61 A 4.6740 7.5960 118.9351 54.3988 18.2792 178.2880 62 S 4.1412 7.9032 108.2486 59.1483 62.5509 173.4478 63 S 4.5628 7.8745 114.9543 57.1546 64.4564 172.9225 64 Y 4.6978 8.5597 122.7818 56.4852 39.4019 174.0330 65 T 4.5005 8.3929 113.4768 63.1796 70.7521 174.9505 66 L 4.0373 8.0779 121.8059 56.7626 41.9128 177.3358 67 E 4.2823 8.0619 120.4452 56.4553 29.6819 176.0225 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 4.56 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.72 0.00 2 D 8.35 4.42 0.00 2.79 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 0.00 0.00 0.00 3 Q 9.20 3.87 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 4 E 7.99 4.15 0.00 2.18 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 2.50 2.31 0.00 5 T 7.34 3.86 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 1.18 0.00 0.00 6 R 8.00 3.81 0.00 2.01 2.16 0.00 2.94 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 7 D 7.93 4.35 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.24 4.04 0.00 2.40 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.47 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 9 M 7.88 3.92 0.00 2.12 2.04 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 2.61 2.76 0.00 10 K 7.62 3.97 0.00 2.18 1.83 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.44 7.81 11 N 7.95 4.30 0.00 2.80 2.91 0.00 0.00 7.10 7.88 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 12 A 8.53 3.96 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 13 A 7.80 3.87 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 14 A 7.73 3.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 3.95 0.00 2.10 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 2.33 2.47 0.00 16 A 7.71 4.18 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 17 K 8.43 4.07 0.00 1.91 1.91 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.60 7.81 18 D 8.21 4.43 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.00 4.51 0.00 2.83 2.78 0.00 0.00 6.71 8.60 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 20 V 8.08 3.76 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 1.00 0.00 0.00 0.94 0.00 0.00 21 H 8.13 4.42 0.00 3.17 3.49 0.00 5.76 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.26 4.30 0.00 2.87 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 23 K 7.70 3.92 0.00 2.15 2.07 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.56 7.81 24 I 7.85 3.77 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 1.04 0.00 0.00 25 Q 8.16 4.10 0.00 1.90 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 26 E 7.56 3.93 0.00 1.96 2.13 0.00 0.00 0.00 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 27 L 8.20 4.32 0.00 1.67 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.34 4.22 0.00 1.84 1.81 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 D 7.81 4.25 0.00 2.85 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 30 D 7.50 4.62 0.00 2.66 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 31 V 7.58 3.89 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 0.77 0.00 0.00 0.93 0.00 0.00 32 G 8.09 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 0.00 0.00 0.00 33 N 7.63 4.38 0.00 2.73 2.90 0.00 0.00 7.12 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 34 K 7.95 4.12 0.00 1.83 1.77 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.44 7.81 35 A 7.96 3.96 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 36 A 8.04 4.04 1.33 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 0.00 0.00 0.00 37 E 8.23 3.90 0.00 2.07 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 2.55 2.34 0.00 38 V 7.79 3.54 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 1.08 0.00 0.00 0.99 0.00 0.00 39 R 7.86 3.85 0.00 1.90 2.02 0.00 3.30 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 40 D 7.76 4.43 0.00 2.90 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 41 A 7.91 3.97 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 42 V 7.68 3.70 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 0.88 0.00 0.00 0.97 0.00 0.00 43 S 7.64 4.05 0.00 3.92 4.01 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 44 S 8.24 4.07 0.00 4.01 4.07 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 0.00 0.00 0.00 0.00 45 T 7.68 3.87 4.40 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 1.21 0.00 0.00 46 V 7.63 3.66 2.22 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 1.15 0.00 0.00 0.93 0.00 0.00 47 E 8.52 3.90 0.00 2.22 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 0.00 2.37 2.44 0.00 48 S 8.02 4.25 0.00 4.08 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 49 I 7.54 3.87 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 1.58 1.01 0.92 0.00 0.00 50 K 8.07 3.90 0.00 1.92 2.09 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.44 7.81 51 D 7.85 4.49 0.00 2.77 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 52 K 7.81 4.07 0.00 1.81 2.04 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.44 7.81 53 L 7.27 4.31 0.00 1.79 1.69 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.39 4.19 0.00 4.02 4.20 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 0.00 0.00 0.00 0.00 55 G 7.45 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 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 57 S 8.72 4.83 0.00 4.01 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 58 S 9.05 4.45 0.00 3.77 3.82 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 59 S 8.06 4.53 0.00 3.89 3.74 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 60 R 8.70 3.92 0.00 2.02 2.07 0.00 3.20 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 61 A 7.60 4.67 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 62 S 7.90 4.14 0.00 3.79 3.82 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 63 S 7.87 4.56 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.56 4.70 0.00 2.95 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 65 T 8.39 4.50 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 1.22 0.00 0.00 66 L 8.08 4.04 0.00 1.66 1.82 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.06 4.28 0.00 2.00 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 0.00 2.26 2.25 0.00