NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5164 8.1476 120.2733 55.2512 34.4059 173.5515 2 R 4.8458 7.6225 115.7848 54.2775 32.9404 172.7713 3 Y 5.1518 9.1296 118.7912 56.7836 43.3647 175.9338 4 V 4.5729 9.2229 125.2405 61.3715 31.3353 175.2127 5 L 4.7810 9.1609 127.2524 54.6945 43.5021 175.5493 6 Y 4.9996 9.1819 122.2528 56.4032 41.1488 174.0503 7 V 4.6828 8.5481 128.8127 59.7348 31.2715 174.0679 8 P 4.0651 0.0000 0.0000 64.7747 31.7782 178.3858 9 D 4.2108 7.8244 118.4819 56.6589 40.8800 176.6447 10 I 4.2909 7.6513 120.7137 61.7530 37.1446 177.8212 11 S 4.2392 7.7916 116.4171 60.1299 62.2513 173.2246 12 C 5.0045 7.5921 116.6001 57.6773 31.6642 174.3732 13 N 4.3415 8.7353 119.8896 57.1107 38.9920 176.6492 14 H 4.1764 8.4289 117.5395 59.4433 30.4835 176.6342 15 C 4.4186 7.9769 117.7094 61.9333 27.4884 175.6944 16 K 3.8519 7.8340 121.4663 60.2685 31.6541 178.6009 17 M 4.1564 7.8235 118.4196 58.2725 31.2607 178.8866 18 R 3.7581 7.7027 118.1476 59.3408 30.0958 178.8732 19 I 3.5447 7.4969 118.8106 64.4543 37.1815 178.3107 20 S 4.0751 7.7264 114.2493 61.6350 62.8160 176.8440 21 K 3.7937 8.1279 120.8279 59.7657 31.8972 179.2979 22 A 3.9797 7.5549 119.6200 54.7697 18.1239 179.8207 23 L 3.7344 7.8615 118.0571 57.8721 41.4675 179.2290 24 E 3.8117 8.0018 117.5845 59.6291 29.5169 179.0995 25 E 4.1192 7.9763 116.8729 58.5993 29.6374 178.5730 26 L 4.0913 7.5853 120.3479 56.8057 42.1288 177.9555 27 G 3.9988 7.9384 105.9714 45.2051 0.0000 173.9087 28 V 3.8141 7.4932 117.8597 61.6274 31.6498 175.7763 29 K 4.6825 7.9519 117.9542 56.0408 34.1388 176.3730 30 N 5.2414 7.9428 116.6894 51.9300 42.6764 172.9855 31 Y 5.2442 8.2725 119.8279 56.8166 40.9289 173.2041 32 E 4.6834 9.2914 118.5231 55.0891 34.4430 174.5762 33 V 4.9570 8.0624 121.6304 61.2699 34.8103 174.8537 34 S 4.6900 9.0858 120.4558 56.7794 65.1112 175.0683 35 V 4.2912 8.5435 126.1167 63.4277 32.2849 178.0881 36 E 3.9871 8.4643 119.2776 59.2739 29.2406 177.6603 37 E 4.4980 7.9555 113.4768 55.1173 30.6154 176.1736 38 K 3.8916 7.7379 117.4815 57.1875 30.1147 174.0027 39 K 5.2460 8.2885 118.5742 55.0528 37.0252 175.8394 40 V 4.9044 8.4288 123.9697 61.4467 35.0728 174.0622 41 V 4.7231 8.8363 128.1305 62.1393 33.1769 175.0096 42 V 4.8513 8.6521 119.7906 59.5652 35.4891 174.5438 43 E 4.9146 9.2812 124.5594 55.1281 31.4559 174.3499 44 T 4.8761 8.8615 120.5443 61.3004 70.9253 172.6101 45 E 4.4800 8.9036 122.2199 56.1207 30.1843 175.2415 46 N 4.7949 7.6083 116.1338 50.5595 39.6094 173.3654 47 L 3.4940 8.2457 125.7537 57.7453 41.9270 177.5128 48 D 4.1847 7.8829 117.2013 57.6162 41.1319 177.9819 49 S 4.0504 7.7921 113.1054 61.5038 62.1241 176.5294 50 V 3.4928 7.1521 120.2552 66.0925 31.3967 178.0492 51 L 3.9842 7.8807 118.7404 57.5063 41.2957 179.3744 52 K 3.8227 8.3924 119.9986 59.4744 32.0694 178.5158 53 K 3.7939 8.0441 119.6876 59.5472 32.0503 178.5154 54 L 3.9520 8.2198 119.3835 57.8760 41.5397 179.1337 55 E 4.0085 8.1049 119.0134 59.3505 29.4473 178.0962 56 E 4.3544 8.3341 115.5891 57.2046 29.5118 177.7310 57 I 4.2533 7.0563 112.8054 60.2937 37.9895 175.3666 58 D 4.7012 8.2348 117.8217 55.3633 40.2436 174.2843 59 Y 4.7687 7.9090 117.3710 54.9294 37.4041 171.4768 60 P 4.4202 0.0000 0.0000 62.0734 32.2008 177.8396 61 V 3.9548 8.2464 123.2669 61.4909 32.3443 175.7549 62 E 4.1670 9.0114 124.8547 59.2273 29.9548 176.3562 63 S 4.6426 7.8054 112.6948 58.0916 67.8969 171.8774 64 Y 5.8893 7.5100 118.2938 55.4542 41.5597 174.1527 65 Q 4.8603 8.5516 114.2597 55.0431 31.5264 173.4771 66 E 4.5735 9.1517 123.3465 56.4594 30.7789 176.9373 67 V 4.0236 8.1886 117.9641 61.6786 32.6872 175.4519 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 4.52 0.00 1.79 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 2 R 7.62 4.85 0.00 1.96 1.87 0.00 2.84 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 3 Y 9.13 5.15 0.00 2.92 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 4 V 9.22 4.57 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 0.97 0.00 0.00 0.98 0.00 0.00 5 L 9.16 4.78 0.00 1.77 1.72 0.98 0.97 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 6 Y 9.18 5.00 0.00 2.94 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 7 V 8.55 4.68 2.15 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 1.10 0.00 0.00 1.03 0.00 0.00 8 P 0.00 4.07 0.00 2.03 1.83 0.00 3.69 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 9 D 7.82 4.21 0.00 2.24 1.54 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 0.00 0.00 0.00 0.00 10 I 7.65 4.29 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 1.04 0.00 0.00 11 S 7.79 4.24 0.00 3.97 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 12 C 7.59 5.00 0.00 3.00 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 13 N 8.74 4.34 0.00 2.74 2.84 0.00 0.00 6.55 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.43 4.18 0.00 3.21 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.98 4.42 0.00 3.33 3.31 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 0.00 16 K 7.83 3.85 0.00 1.82 2.06 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.56 7.81 17 M 7.82 4.16 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 18 R 7.70 3.76 0.00 1.60 1.48 0.00 2.98 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 19 I 7.50 3.54 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.37 0.91 0.00 0.00 20 S 7.73 4.08 0.00 3.96 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 0.00 21 K 8.13 3.79 0.00 1.72 1.82 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.56 7.81 22 A 7.55 3.98 1.27 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 0.00 0.00 23 L 7.86 3.73 0.00 1.34 1.07 0.75 1.02 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 24 E 8.00 3.81 0.00 1.98 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 2.25 2.57 0.00 25 E 7.98 4.12 0.00 1.90 1.96 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 2.30 2.45 0.00 26 L 7.59 4.09 0.00 1.67 1.73 0.90 0.98 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 27 G 7.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.49 3.81 1.94 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 0.29 0.00 0.00 1.07 0.00 0.00 29 K 7.95 4.68 0.00 1.78 1.88 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.53 7.81 30 N 7.94 5.24 0.00 2.82 2.73 0.00 0.00 6.67 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.27 5.24 0.00 3.11 2.86 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 0.00 0.00 0.00 32 E 9.29 4.68 0.00 1.85 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 2.12 2.35 0.00 33 V 8.06 4.96 2.15 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 0.95 0.00 0.00 1.08 0.00 0.00 34 S 9.09 4.69 0.00 3.91 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 35 V 8.54 4.29 2.12 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 1.24 0.00 0.00 1.03 0.00 0.00 36 E 8.46 3.99 0.00 1.99 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 0.00 2.34 2.43 0.00 37 E 7.96 4.50 0.00 2.03 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 2.30 2.29 0.00 38 K 7.74 3.89 0.00 2.02 1.77 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.57 7.81 39 K 8.29 5.25 0.00 1.97 1.67 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.63 7.81 40 V 8.43 4.90 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 1.05 0.00 0.00 1.02 0.00 0.00 41 V 8.84 4.72 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 1.15 0.00 0.00 0.98 0.00 0.00 42 V 8.65 4.85 2.16 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 0.80 0.00 0.00 1.06 0.00 0.00 43 E 9.28 4.91 0.00 2.01 1.98 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 2.18 2.18 0.00 44 T 8.86 4.88 4.29 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 0.00 0.00 1.28 0.00 0.00 45 E 8.90 4.48 0.00 1.97 1.94 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 2.23 2.29 0.00 46 N 7.61 4.79 0.00 2.71 2.59 0.00 0.00 6.74 6.61 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 47 L 8.25 3.49 0.00 0.78 1.08 0.37 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.88 4.18 0.00 2.65 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 49 S 7.79 4.05 0.00 4.15 3.81 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 50 V 7.15 3.49 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 0.98 0.00 0.00 0.94 0.00 0.00 51 L 7.88 3.98 0.00 1.81 1.71 0.61 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.39 3.82 0.00 1.95 1.92 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 53 K 8.04 3.79 0.00 2.00 1.90 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 54 L 8.22 3.95 0.00 1.95 1.93 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.10 4.01 0.00 2.08 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 0.00 2.33 2.38 0.00 56 E 8.33 4.35 0.00 2.13 1.96 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 2.34 2.42 0.00 57 I 7.06 4.25 1.61 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.39 0.86 0.00 0.00 58 D 8.23 4.70 0.00 2.92 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 59 Y 7.91 4.77 0.00 3.14 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 60 P 0.00 4.42 0.00 2.19 2.10 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 61 V 8.25 3.95 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 0.90 0.00 0.00 1.15 0.00 0.00 62 E 9.01 4.17 0.00 2.04 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 2.42 2.35 0.00 63 S 7.81 4.64 0.00 3.76 3.54 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 0.00 0.00 0.00 0.00 64 Y 7.51 5.89 0.00 3.00 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 65 Q 8.55 4.86 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.09 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 66 E 9.15 4.57 0.00 2.17 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 2.12 1.91 0.00 67 V 8.19 4.02 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 0.82 0.00 0.00 0.91 0.00 0.00