NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 5.2969 8.2048 117.5900 55.3021 32.9772 176.3767 8 R 3.9641 7.9505 120.4981 58.9057 30.6837 176.6830 9 N 4.3172 9.4580 115.1340 55.0421 38.3136 179.5987 10 E 3.3867 7.6336 116.0686 57.8003 31.1269 179.0212 11 L 4.1236 7.5099 117.6803 57.5969 42.0173 179.1413 12 E 3.9078 8.9599 120.4572 59.1615 28.9833 178.0214 13 E 4.1823 8.1183 117.2604 57.8144 29.7253 177.1436 14 M 4.3698 7.4428 115.3776 57.2079 32.8296 176.6394 15 Q 4.4754 8.1539 116.5734 55.9147 29.3520 177.5307 16 R 3.9906 7.8780 120.6822 58.9097 30.0931 178.1701 17 R 4.4195 7.4795 115.4224 57.0160 29.7234 177.8152 18 A 4.2033 7.6515 121.6860 54.0253 20.0866 178.5975 19 D 4.3834 7.6407 115.1907 56.3507 41.2492 178.0882 20 Q 4.0122 7.8133 120.7014 59.5738 29.2939 177.6690 21 L 4.0248 7.5698 119.4355 57.4945 41.4179 179.5585 22 A 3.9617 7.5559 120.7775 55.3543 18.3219 179.4313 23 D 4.3004 7.7147 115.6469 57.6315 40.9693 178.7408 24 E 3.9840 8.1456 119.0530 59.6984 29.5178 179.8498 25 S 4.1387 7.9570 114.5705 61.4072 62.9551 176.3589 26 L 4.0804 7.7002 122.5294 57.2856 41.6811 178.6801 27 E 3.9311 8.4429 120.4429 59.2865 29.7774 178.4087 28 S 4.2665 8.0502 113.0234 60.4478 63.1479 175.7090 29 T 4.0567 7.6826 116.9820 64.6036 67.1017 176.6480 30 R 3.8983 7.6842 119.9519 59.1830 30.1354 179.1353 31 R 3.9390 8.1665 117.8674 59.5684 30.1152 178.5905 32 M 3.9476 7.8858 118.4450 58.8064 32.1707 178.4266 33 L 3.9111 7.8369 119.8166 58.4079 41.9791 179.0596 34 Q 3.9025 7.7577 119.1751 59.2883 29.1187 177.8580 35 L 3.9432 7.9639 119.9414 57.7866 41.6388 179.9652 36 V 3.5787 7.9621 118.1676 65.8622 31.5657 177.6925 37 E 3.9470 7.9748 118.0559 59.7338 29.2873 179.2775 38 E 3.9644 8.4330 118.5091 59.6999 29.5282 179.6332 39 S 4.1001 7.9275 114.7025 61.3437 62.8053 176.8651 40 K 3.9119 7.9157 122.1747 59.6359 31.9668 178.3526 41 D 4.2991 8.0339 118.8485 57.6155 40.8385 178.7213 42 A 4.1919 8.4760 121.3604 55.1243 18.3910 180.0432 43 G 3.5214 8.0139 104.4274 48.0063 0.0000 176.1365 44 I 3.7454 8.1506 122.9127 64.0277 37.1127 178.6005 45 R 3.9108 8.3560 119.3141 59.8113 30.0723 179.1265 46 T 3.8865 7.9436 115.2381 66.6004 68.3710 176.7376 47 L 3.9923 7.7268 120.5479 57.8150 41.7600 179.8847 48 V 3.6660 8.0538 119.3871 64.8985 31.1813 178.2001 49 M 4.1357 8.1626 119.2790 58.4613 31.9192 178.6232 50 L 4.0446 7.7987 118.5573 58.0043 41.5044 179.2631 51 D 4.3510 7.8519 117.2786 56.9452 41.4057 177.9468 52 E 4.1372 8.1021 119.2280 59.4963 29.7647 179.1674 53 Q 4.1747 8.5487 118.1941 58.5406 28.1716 179.0722 54 G 3.6588 8.1947 106.9905 47.2518 0.0000 175.5013 55 E 4.3525 8.1898 120.7096 58.8497 29.7074 178.6249 56 Q 4.0079 8.0581 117.6712 59.2562 28.7381 179.0940 57 L 4.0148 7.9553 119.6761 57.6424 41.6654 179.2529 58 D 4.3623 7.6801 117.9347 57.5111 40.6724 178.8520 59 R 3.8625 8.5924 118.7856 59.1783 30.0229 178.9664 60 V 3.5205 8.1370 118.1829 66.3822 31.5556 177.8649 61 E 3.9063 8.5646 118.9689 59.3733 29.4868 178.3665 62 E 4.0791 8.0994 118.6071 59.9269 29.4224 178.9430 63 G 3.7877 8.3311 105.0707 48.6497 0.0000 175.0143 64 M 3.9936 8.1804 120.2417 57.9327 32.2081 178.9485 65 N 4.2878 8.0500 115.6733 56.5636 38.7537 176.6111 66 H 3.9843 8.5351 119.8780 59.4872 29.8644 176.8114 67 I 3.6862 8.0018 121.5163 64.6346 37.0341 177.4850 68 N 4.2052 8.7052 117.7863 57.1051 38.6828 176.5051 69 Q 3.9451 8.0684 120.4896 59.2487 29.1179 178.0116 70 D 4.2946 8.1631 119.9455 57.7344 40.9192 178.7056 71 M 4.2535 8.7738 119.4797 58.1922 31.7259 179.0404 72 K 4.0321 8.0190 119.0315 59.0641 32.2135 179.0588 73 E 3.8449 8.1214 119.4642 59.3725 29.7359 178.7320 74 A 4.0508 8.5776 120.9368 54.8689 18.3808 179.3067 75 E 3.8094 8.0154 117.7310 59.3958 29.6963 178.4808 76 K 3.8099 7.7509 119.5020 60.0843 31.9060 178.2768 77 N 4.3916 7.9056 115.0957 56.1674 38.3871 177.2259 78 L 4.1555 8.1030 119.8407 56.6822 41.6403 179.4691 79 K 3.9877 7.8954 119.9896 59.5270 32.0605 178.1218 80 D 4.6920 7.6170 114.9050 55.3444 40.4756 176.6070 81 L 4.5432 7.2352 118.5089 54.1859 42.1938 176.7991 82 G 4.0883 8.1471 114.1845 45.9885 0.0000 174.0446 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 7 M 8.20 5.30 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 8 R 7.95 3.96 0.00 1.98 2.01 0.00 3.12 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 9 N 9.46 4.32 0.00 2.75 3.01 0.00 0.00 7.27 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 10 E 7.63 3.39 0.00 2.11 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 0.00 2.40 2.44 0.00 11 L 7.51 4.12 0.00 1.69 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.96 3.91 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 13 E 8.12 4.18 0.00 2.07 1.91 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 2.37 2.36 0.00 14 M 7.44 4.37 0.00 2.18 2.24 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 2.55 2.56 0.00 15 Q 8.15 4.48 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 16 R 7.88 3.99 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 17 R 7.48 4.42 0.00 2.01 1.95 0.00 3.33 0.00 0.00 3.17 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 18 A 7.65 4.20 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 19 D 7.64 4.38 0.00 2.88 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 20 Q 7.81 4.01 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.51 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 21 L 7.57 4.02 0.00 1.55 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.56 3.96 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 23 D 7.71 4.30 0.00 2.75 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 24 E 8.15 3.98 0.00 2.03 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 2.55 0.00 25 S 7.96 4.14 0.00 4.01 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 26 L 7.70 4.08 0.00 1.69 1.77 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.44 3.93 0.00 2.21 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 0.00 2.30 2.35 0.00 28 S 8.05 4.27 0.00 4.11 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 29 T 7.68 4.06 4.42 0.00 0.00 0.00 0.00 0.00 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 30 R 7.68 3.90 0.00 2.05 1.96 0.00 3.37 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.03 0.00 31 R 8.17 3.94 0.00 1.84 1.97 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 32 M 7.89 3.95 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 33 L 7.84 3.91 0.00 2.00 1.82 0.92 0.60 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 34 Q 7.76 3.90 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 35 L 7.96 3.94 0.00 1.74 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.96 3.58 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 1.03 0.00 0.00 0.99 0.00 0.00 37 E 7.97 3.95 0.00 2.24 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 2.52 2.51 0.00 38 E 8.43 3.96 0.00 1.99 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 2.33 2.52 0.00 39 S 7.93 4.10 0.00 4.03 3.92 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 0.00 0.00 0.00 40 K 7.92 3.91 0.00 1.86 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 41 D 8.03 4.30 0.00 2.92 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 42 A 8.48 4.19 1.34 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 43 G 8.01 3.52 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 0.00 44 I 8.15 3.75 2.01 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 1.52 0.86 0.91 0.00 0.00 45 R 8.36 3.91 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 46 T 7.94 3.89 4.39 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 1.21 0.00 0.00 47 L 7.73 3.99 0.00 1.87 1.70 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.05 3.67 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 0.87 0.00 0.00 0.93 0.00 0.00 49 M 8.16 4.14 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.59 0.00 50 L 7.80 4.04 0.00 1.87 1.73 0.92 0.80 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 51 D 7.85 4.35 0.00 2.86 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 52 E 8.10 4.14 0.00 2.19 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 2.32 2.52 0.00 53 Q 8.55 4.17 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 54 G 8.19 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 55 E 8.19 4.35 0.00 2.16 1.99 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 2.30 2.55 0.00 56 Q 8.06 4.01 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 57 L 7.96 4.01 0.00 1.85 1.71 0.96 1.10 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 58 D 7.68 4.36 0.00 2.87 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 59 R 8.59 3.86 0.00 1.98 1.96 0.00 3.16 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 1.65 1.63 0.00 60 V 8.14 3.52 2.26 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 0.99 0.00 0.00 0.96 0.00 0.00 61 E 8.56 3.91 0.00 2.20 2.06 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 2.31 2.35 0.00 62 E 8.10 4.08 0.00 2.30 2.01 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 2.34 2.58 0.00 63 G 8.33 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.18 3.99 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.92 0.00 65 N 8.05 4.29 0.00 2.98 2.87 0.00 0.00 6.64 7.79 0.00 0.00 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 H 8.54 3.98 0.00 3.32 3.44 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.00 3.69 2.04 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 1.43 0.82 0.92 0.00 0.00 68 N 8.71 4.21 0.00 2.95 2.95 0.00 0.00 6.95 7.12 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 69 Q 8.07 3.95 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 70 D 8.16 4.29 0.00 2.87 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 71 M 8.77 4.25 0.00 1.98 2.12 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 2.62 2.86 0.00 72 K 8.02 4.03 0.00 2.02 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.69 7.81 73 E 8.12 3.84 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 74 A 8.58 4.05 1.31 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 0.00 0.00 75 E 8.02 3.81 0.00 2.21 2.19 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 2.30 2.31 0.00 76 K 7.75 3.81 0.00 1.81 2.02 0.00 1.68 0.00 0.00 1.98 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.51 7.81 77 N 7.91 4.39 0.00 2.91 2.86 0.00 0.00 7.12 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 78 L 8.10 4.16 0.00 1.84 1.71 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.90 3.99 0.00 1.86 2.04 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 80 D 7.62 4.69 0.00 2.76 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 81 L 7.24 4.54 0.00 1.77 1.64 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.15 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 0.00 0.00 0.00