NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3023 8.2649 123.5954 52.4687 19.1153 175.6567 3 K 3.7556 7.9668 123.6380 54.6552 31.9619 173.8107 4 Q 4.1645 7.4749 119.1174 54.1716 31.4150 176.1660 5 D 4.0594 7.7906 120.0670 54.0236 39.4553 176.0576 6 Y 4.3642 7.2407 118.7594 58.8043 38.0450 175.7601 7 Y 4.6167 8.6335 120.1614 60.0972 38.5565 177.4562 8 E 4.0732 8.5493 118.9591 58.9476 29.9537 178.0734 9 I 3.9041 7.6480 119.3339 64.7018 37.2837 177.4055 10 L 4.0700 7.9377 117.9972 56.9770 41.8803 178.4906 11 G 4.1838 9.1863 115.1936 46.3945 0.0000 172.5508 12 V 4.5587 7.6158 124.0344 59.6151 34.2490 177.0455 13 S 4.4837 8.2251 113.1497 58.9528 61.0668 176.0625 14 K 3.9313 8.5082 127.4417 57.3176 30.7115 177.4641 15 T 3.9385 8.5996 112.6469 60.6710 69.3748 174.4562 16 A 4.0507 7.1565 124.1095 53.2278 19.3345 177.8699 17 E 4.1597 8.6346 120.1621 56.1023 30.4129 177.6063 18 E 4.0160 8.9416 122.4751 59.1517 29.1532 178.8100 19 R 3.8936 7.7327 117.9668 59.6920 30.2741 177.2715 20 E 4.2935 8.4785 118.1257 58.3594 29.9165 177.9316 21 I 3.8148 7.9164 119.6562 64.6065 37.1103 177.8476 22 R 3.9505 8.5660 119.7143 59.4448 29.7663 178.8071 23 K 3.9732 7.9707 117.4519 59.2868 32.1461 178.7549 24 A 4.0086 8.2569 121.2233 55.5805 18.3562 178.8039 25 Y 4.1892 8.7155 118.0245 60.8376 38.6488 178.4478 26 K 3.6478 8.4152 120.7499 59.3275 32.3575 178.8357 27 R 3.8482 7.8516 116.3031 59.5003 29.2648 178.8369 28 L 4.0113 8.2982 120.3476 56.9446 41.4243 179.0814 29 A 3.7738 8.0206 120.4788 55.3879 18.5135 179.3070 30 M 3.8471 7.4966 115.3554 58.1713 31.0484 178.4986 31 K 3.7631 7.7991 119.7850 59.0853 32.3730 177.5225 32 Y 4.6853 7.7825 114.0140 57.1993 38.4949 175.3772 33 H 4.0948 7.2734 118.0901 54.7554 29.6056 173.7623 34 P 4.2237 0.0000 0.0000 66.3423 31.2453 175.8462 35 D 4.2341 8.8983 113.6758 55.5238 38.4536 173.0030 36 R 3.7909 8.0818 114.5622 56.4099 29.8052 177.3928 37 N 4.6162 7.9516 117.5298 52.7782 37.2850 173.7193 38 Q 4.2451 7.5243 120.0349 56.0581 31.1189 174.3871 39 G 4.3484 9.0981 112.1033 45.9018 0.0000 174.5217 40 D 4.2961 7.7538 117.7469 56.5388 41.6931 175.9271 41 K 4.5446 8.3580 120.8430 56.9449 32.1944 178.1741 42 E 4.0020 8.0319 116.2497 59.1848 29.5887 178.6281 43 A 4.0504 9.0273 122.1212 55.0052 18.3882 179.0931 44 E 3.9939 8.2927 116.9441 59.6130 29.6873 178.6456 45 A 3.9952 7.9025 120.5239 55.0083 18.2327 179.6216 46 K 3.6919 8.3664 118.5931 59.6443 32.2155 178.7648 47 F 4.3608 8.1971 120.8886 61.3257 39.1926 177.2527 48 K 3.6399 8.2576 118.4956 59.3092 31.8646 179.0324 49 E 3.9650 8.3497 119.1040 59.6719 29.4312 179.6466 50 I 3.9584 8.0084 119.8606 63.9678 37.0484 178.3536 51 K 4.0828 8.4551 121.0623 59.5414 32.0595 178.1905 52 E 3.6605 8.4316 119.6212 59.2656 29.3843 178.3481 53 A 3.6099 8.3494 120.7817 55.4798 18.2423 178.7266 54 Y 3.8212 7.7411 116.3191 60.8836 39.0308 177.9766 55 E 3.4685 7.9368 120.2180 58.9125 29.6293 178.8882 56 V 3.3359 7.6812 118.6886 65.6911 31.2835 177.4480 57 L 4.1650 7.3730 114.9487 55.4976 41.2549 177.3530 58 T 4.3238 7.0584 107.4222 60.9825 69.6293 173.6162 59 D 4.4888 7.8444 122.6407 53.7214 42.5945 174.0597 60 S 4.3379 7.6183 112.4591 60.1106 63.7597 176.0891 61 Q 4.0144 7.8812 119.2831 59.3048 28.9440 178.2039 62 K 3.8892 8.1834 119.0143 59.9813 31.7933 178.8688 63 R 4.1656 7.6289 116.3302 58.2077 30.1581 177.3267 64 A 4.6582 7.7992 119.0444 53.6741 20.3718 178.2704 65 A 4.1471 8.5096 119.6745 55.6488 18.2535 178.9859 66 Y 4.3057 7.4273 116.9011 61.1865 38.9407 177.6731 67 D 4.3952 8.1571 116.7456 58.0566 41.4749 177.0912 68 Q 3.8667 8.3639 119.8871 56.7410 30.4908 176.3402 69 Y 4.9397 9.0390 115.7173 58.2158 42.8813 177.6337 70 G 4.1674 8.8306 114.3127 46.3579 0.0000 172.8013 71 H 5.2014 9.2233 111.0808 53.2242 29.5131 175.7773 72 A 4.7747 8.6770 122.5760 50.9803 19.5319 174.6276 73 A 4.4898 9.4834 126.0096 52.1476 26.3000 177.6279 74 F 5.2141 7.6415 110.9718 56.5096 39.6948 174.8343 75 E 4.6659 8.9595 117.7557 55.9730 30.3429 177.1677 76 Q 4.2772 8.0953 123.0286 56.2808 28.9305 175.2907 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 2 A 8.26 4.30 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 3 K 7.97 3.76 0.00 1.97 1.75 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.66 7.81 4 Q 7.47 4.16 0.00 1.31 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.28 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 5 D 7.79 4.06 0.00 2.79 2.59 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 6 Y 7.24 4.36 0.00 2.61 2.66 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 7 Y 8.63 4.62 0.00 3.19 3.17 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 8 E 8.55 4.07 0.00 2.21 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 0.00 2.37 2.40 0.00 9 I 7.65 3.90 1.96 0.00 0.00 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 1.52 0.71 1.03 0.00 0.00 10 L 7.94 4.07 0.00 1.78 1.88 1.14 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 11 G 9.19 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 0.00 0.00 0.00 0.00 12 V 7.62 4.56 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 0.93 0.00 0.00 1.05 0.00 0.00 13 S 8.23 4.48 0.00 4.15 3.83 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 0.00 0.00 0.00 14 K 8.51 3.93 0.00 1.87 1.28 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.39 7.81 15 T 8.60 3.94 3.12 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 0.41 0.00 0.00 16 A 7.16 4.05 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 17 E 8.63 4.16 0.00 2.05 1.89 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 2.43 2.35 0.00 18 E 8.94 4.02 0.00 2.14 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 0.00 2.63 2.53 0.00 19 R 7.73 3.89 0.00 2.20 2.02 0.00 3.50 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 20 E 8.48 4.29 0.00 2.11 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 2.33 2.38 0.00 21 I 7.92 3.81 2.17 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.93 1.16 0.00 0.00 22 R 8.57 3.95 0.00 2.11 1.97 0.00 2.49 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 23 K 7.97 3.97 0.00 1.95 1.87 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.82 1.48 7.81 24 A 8.26 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.72 4.19 0.00 3.12 3.21 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 0.00 26 K 8.42 3.65 0.00 1.94 1.76 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 27 R 7.85 3.85 0.00 2.06 2.15 0.00 2.83 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 28 L 8.30 4.01 0.00 1.96 2.01 1.09 1.23 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 29 A 8.02 3.77 0.77 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 0.00 0.00 30 M 7.50 3.85 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 31 K 7.80 3.76 0.00 1.81 1.68 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.41 7.81 32 Y 7.78 4.69 0.00 3.14 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 33 H 7.27 4.09 0.00 3.11 3.14 0.00 5.86 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.22 0.00 2.23 2.35 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 35 D 8.90 4.23 0.00 2.71 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 36 R 8.08 3.79 0.00 2.11 2.09 0.00 3.08 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 37 N 7.95 4.62 0.00 2.88 2.86 0.00 0.00 7.39 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.52 4.25 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 5.73 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 39 G 9.10 4.35 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 0.00 40 D 7.75 4.30 0.00 2.65 2.90 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 41 K 8.36 4.54 0.00 2.14 2.01 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 42 E 8.03 4.00 0.00 2.28 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 2.38 2.77 0.00 43 A 9.03 4.05 1.52 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 0.00 0.00 44 E 8.29 3.99 0.00 2.11 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 0.00 2.46 2.56 0.00 45 A 7.90 4.00 1.40 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 0.00 0.00 0.00 46 K 8.37 3.69 0.00 1.80 1.57 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.14 7.81 47 F 8.20 4.36 0.00 3.29 3.23 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 0.00 0.00 0.00 48 K 8.26 3.64 0.00 1.90 1.72 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.52 7.81 49 E 8.35 3.97 0.00 2.09 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 2.44 2.47 0.00 50 I 8.01 3.96 2.07 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.97 1.20 0.00 0.00 51 K 8.46 4.08 0.00 1.70 1.86 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.42 7.81 52 E 8.43 3.66 0.00 2.16 1.89 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 2.16 2.06 0.00 53 A 8.35 3.61 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 0.00 0.00 54 Y 7.74 3.82 0.00 2.79 2.84 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 55 E 7.94 3.47 0.00 1.87 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 2.06 2.11 0.00 56 V 7.68 3.34 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 0.87 0.00 0.00 0.23 0.00 0.00 57 L 7.37 4.16 0.00 1.54 1.58 0.86 0.44 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 58 T 7.06 4.32 4.08 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 0.90 0.00 0.00 59 D 7.84 4.49 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 60 S 7.62 4.34 0.00 3.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.88 4.01 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.62 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 62 K 8.18 3.89 0.00 1.78 1.87 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.55 1.51 7.81 63 R 7.63 4.17 0.00 1.97 2.11 0.00 3.43 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 64 A 7.80 4.66 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 65 A 8.51 4.15 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.43 4.31 0.00 3.20 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 67 D 8.16 4.40 0.00 3.08 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 68 Q 8.36 3.87 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 69 Y 9.04 4.94 0.00 2.96 2.53 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 70 G 8.83 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 0.00 0.00 0.00 71 H 9.22 5.20 0.00 3.24 3.33 0.00 5.30 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.68 4.77 1.08 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 0.00 0.00 73 A 9.48 4.49 0.77 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 0.00 0.00 74 F 7.64 5.21 0.00 3.03 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 75 E 8.96 4.67 0.00 2.10 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 2.30 2.33 0.00 76 Q 8.10 4.28 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00