NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4759 8.1627 118.3284 55.1240 33.3268 174.1947 2 Q 4.4875 8.4133 122.8994 54.3080 30.5665 172.8906 3 I 4.8330 8.7909 118.0145 59.4243 42.4875 173.4157 4 F 5.0046 9.3586 121.6252 55.9453 42.0303 174.7284 5 V 4.5923 8.9230 126.1079 61.5638 32.6744 174.4981 6 K 5.1008 8.8019 128.2524 54.9672 34.6512 175.7820 7 T 5.2134 8.5007 118.7808 59.5216 69.7225 175.3102 8 L 4.2714 8.5910 124.7405 56.9303 41.9109 178.6431 9 T 3.9502 7.3799 114.1092 64.9573 68.8640 174.8764 10 G 4.0642 8.9729 109.9012 45.0502 0.0000 173.6631 11 K 4.6486 7.7624 118.3818 54.9863 36.1728 175.1208 12 T 5.1498 8.6643 123.1611 61.8874 71.3037 173.5494 13 I 4.6128 8.7660 125.6016 59.7861 40.7481 174.5870 14 T 4.9167 8.5022 122.5874 61.0548 70.4328 173.4326 15 L 4.7103 8.2225 125.3975 52.9534 46.2126 175.8240 16 E 4.4726 8.4879 121.1979 55.2640 28.1749 176.1595 17 V 4.0629 8.2169 116.6559 60.7373 33.4752 174.9757 18 E 4.6647 8.3759 120.3754 54.0946 32.1191 175.5947 19 P 4.1491 0.0000 0.0000 65.9434 31.4997 178.2020 20 S 4.5995 7.8409 110.5023 58.1655 63.2452 173.2801 21 D 4.4981 8.1372 122.7542 53.7375 41.6779 176.1604 22 T 4.5074 8.3055 116.4679 61.3246 69.9481 175.3007 23 I 3.7145 8.9570 124.8114 64.6920 36.8945 178.4352 24 E 3.9394 8.0795 119.7472 59.2439 29.4363 178.2416 25 N 4.3930 8.2134 116.6776 55.8053 38.8881 177.2519 26 V 3.5733 7.5517 119.6743 65.9699 31.6594 177.9339 27 K 4.5421 8.3023 119.2922 58.8978 31.8572 179.1361 28 A 3.9848 7.7056 121.2501 54.9849 18.2310 179.9112 29 K 3.9059 7.7955 116.5333 59.6641 32.2884 179.4701 30 I 3.6716 7.4627 119.8787 64.5620 37.0097 178.0301 31 Q 4.3641 8.2377 121.7933 58.7878 28.5501 178.4405 32 D 4.3469 7.8834 118.6525 57.6383 41.3828 177.8052 33 K 4.0754 8.5128 119.5355 58.3929 31.5653 178.2692 34 E 4.2159 7.5370 127.0702 57.4069 30.0847 177.4614 35 G 4.3435 7.4169 105.6597 47.2657 0.0000 173.3369 36 I 4.1520 7.5204 120.7462 58.7895 38.1854 173.7922 37 P 4.3040 0.0000 0.0000 62.2528 31.8919 175.5979 38 P 4.2165 0.0000 0.0000 65.5580 31.4976 178.0746 39 D 4.4003 8.0669 116.2601 56.4013 41.5415 176.3702 40 Q 4.5446 8.1930 116.7849 55.8668 29.7239 174.6158 41 Q 4.6410 7.7579 118.9015 54.9709 30.7541 175.1327 42 R 4.4032 8.7078 122.6098 54.3262 32.9767 174.6066 43 L 4.7861 8.3899 125.2141 54.0305 43.0944 175.9330 44 I 4.9772 9.1367 125.7729 59.4476 40.1629 174.8107 45 F 5.0424 9.0582 128.0461 57.5259 42.6016 175.2640 46 A 3.4085 8.9848 126.3713 51.8294 16.6817 177.4307 47 G 3.8958 7.8285 101.7507 45.0864 0.0000 173.6369 48 K 4.5966 8.2916 119.1496 54.4449 35.2812 174.0719 49 Q 4.9558 8.2116 120.6521 54.7580 30.2969 175.1677 50 L 4.0484 8.6091 126.1645 54.3994 43.0679 175.7762 51 E 4.4487 8.9422 122.6788 55.0411 30.8484 176.6267 52 D 4.3842 9.1465 127.1182 57.6948 41.0871 178.1483 53 G 4.1201 8.0331 105.1154 45.6723 0.0000 172.8855 54 R 4.6217 7.9811 119.2774 54.2049 33.2391 174.9883 55 T 4.9710 8.0307 108.3968 59.7007 71.3936 175.8469 56 L 3.9834 8.3780 122.2793 58.1108 41.6949 180.0090 57 S 4.3217 7.6222 111.5068 60.1046 63.0845 175.8898 58 D 4.1772 7.7646 121.2885 56.7822 40.6011 176.6682 59 Y 4.5443 7.6569 114.5294 57.2791 38.1903 174.8541 60 N 4.1733 7.7194 115.8848 54.4774 37.9752 173.9076 61 I 3.8734 7.7270 117.5884 60.6126 37.4023 175.3230 62 Q 4.9059 8.0790 126.4480 53.6457 31.4070 175.5072 63 K 4.2030 8.3928 116.6632 58.6176 33.1379 176.8074 64 E 4.1046 9.2013 118.4704 57.3936 28.0275 175.1958 65 S 4.6042 7.6192 114.2524 58.8639 64.4218 173.1190 66 T 5.8379 8.4993 118.0829 61.3276 70.6785 173.6243 67 L 5.0089 8.5463 125.6674 53.2391 45.2295 175.0739 68 H 5.1466 9.0167 120.6250 55.0773 30.2196 173.8824 69 L 5.0927 8.7559 125.7539 53.2891 44.5309 175.1197 70 V 4.4544 8.4909 125.2607 61.0229 34.9059 174.2592 71 L 4.3899 8.6685 127.9319 54.3288 41.9235 177.0306 72 R 4.3728 8.9241 127.6171 54.8091 28.6094 173.7839 73 L 4.2522 7.9629 121.3045 53.2428 42.2802 177.0090 74 R 4.0547 8.5207 121.4628 56.8186 30.2901 176.6668 75 G 3.8742 8.9212 109.2828 44.7896 0.0000 173.6019 76 G 3.7377 7.9372 113.6148 46.2265 0.0000 173.1545 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 4.48 0.00 2.09 2.24 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 2.51 2.70 0.00 2 Q 8.41 4.49 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.90 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 3 I 8.79 4.83 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.91 0.00 0.00 4 F 9.36 5.00 0.00 2.93 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 5 V 8.92 4.59 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 1.18 0.00 0.00 0.93 0.00 0.00 6 K 8.80 5.10 0.00 1.71 1.68 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.41 7.81 7 T 8.50 5.21 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 1.36 0.00 0.00 8 L 8.59 4.27 0.00 1.69 1.72 0.95 0.91 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 9 T 7.38 3.95 4.25 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 1.22 0.00 0.00 10 G 8.97 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 11 K 7.76 4.65 0.00 1.85 1.61 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.54 7.81 12 T 8.66 5.15 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 1.39 0.00 0.00 13 I 8.77 4.61 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 1.40 1.03 0.91 0.00 0.00 14 T 8.50 4.92 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 0.89 0.00 0.00 15 L 8.22 4.71 0.00 1.48 1.46 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.49 4.47 0.00 1.79 1.85 0.00 0.00 0.00 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 2.22 0.00 17 V 8.22 4.06 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 0.56 0.00 0.00 0.92 0.00 0.00 18 E 8.38 4.66 0.00 1.88 1.81 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 2.28 2.29 0.00 19 P 0.00 4.15 0.00 2.16 2.11 0.00 3.56 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 2.11 2.12 0.00 20 S 7.84 4.60 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.50 0.00 2.92 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.51 4.25 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 1.26 0.00 0.00 23 I 8.96 3.71 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.37 0.90 0.00 0.00 24 E 8.08 3.94 0.00 2.04 2.04 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 2.31 2.32 0.00 25 N 8.21 4.39 0.00 2.89 3.11 0.00 0.00 7.44 7.17 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 26 V 7.55 3.57 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 1.08 0.00 0.00 1.01 0.00 0.00 27 K 8.30 4.54 0.00 2.02 1.87 0.00 1.84 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.51 7.81 28 A 7.71 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 29 K 7.80 3.91 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 7.46 3.67 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 1.40 1.10 0.91 0.00 0.00 31 Q 8.24 4.36 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 7.88 4.35 0.00 2.93 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 8.51 4.08 0.00 1.91 1.65 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 34 E 7.54 4.22 0.00 1.97 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 2.35 2.48 0.00 35 G 7.42 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 0.00 0.00 0.00 0.00 36 I 7.52 4.15 1.87 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 0.74 0.91 0.00 0.00 37 P 0.00 4.30 0.00 2.17 2.00 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.22 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 39 D 8.07 4.40 0.00 2.62 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 40 Q 8.19 4.54 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.58 0.00 41 Q 7.76 4.64 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 42 R 8.71 4.40 0.00 1.84 1.84 0.00 3.41 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.39 4.79 0.00 1.57 1.58 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.14 4.98 1.90 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 1.11 0.94 0.93 0.00 0.00 45 F 9.06 5.04 0.00 2.90 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.98 3.41 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 47 G 7.83 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 0.00 0.00 0.00 48 K 8.29 4.60 0.00 1.83 1.73 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.34 7.81 49 Q 8.21 4.96 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 50 L 8.61 4.05 0.00 1.40 1.26 0.65 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.94 4.45 0.00 2.28 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 2.31 2.37 0.00 52 D 9.15 4.38 0.00 2.84 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 53 G 8.03 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.98 4.62 0.00 2.24 1.84 0.00 3.17 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 55 T 8.03 4.97 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 1.19 0.00 0.00 56 L 8.38 3.98 0.00 1.75 1.73 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.62 4.32 0.00 4.10 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 7.76 4.18 0.00 2.67 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 0.00 0.00 0.00 59 Y 7.66 4.54 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 60 N 7.72 4.17 0.00 2.83 2.96 0.00 0.00 7.18 7.86 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 61 I 7.73 3.87 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.42 0.81 0.00 0.00 62 Q 8.08 4.91 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 63 K 8.39 4.20 0.00 1.94 1.94 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.49 7.81 64 E 9.20 4.10 0.00 2.18 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 0.00 2.32 2.49 0.00 65 S 7.62 4.60 0.00 3.91 3.91 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 0.00 0.00 0.00 0.00 66 T 8.50 5.84 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 1.24 0.00 0.00 67 L 8.55 5.01 0.00 1.61 1.59 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.02 5.15 0.00 3.42 3.24 0.00 5.78 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 69 L 8.76 5.09 0.00 1.78 1.52 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.49 4.45 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.67 4.39 0.00 1.57 1.62 0.93 0.91 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 72 R 8.92 4.37 0.00 1.74 1.97 0.00 3.30 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 73 L 7.96 4.25 0.00 1.66 1.61 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.52 4.05 0.00 1.92 1.93 0.00 3.11 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 75 G 8.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.94 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 0.00 0.00 0.00