NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9743 8.3393 109.7358 45.1144 0.0000 173.2216 5 Q 4.3960 7.3569 119.0381 53.6814 32.0253 174.0563 6 S 4.2938 8.5551 112.8436 59.8255 64.4164 175.7973 7 L 4.5263 7.5969 123.1471 56.4783 43.5410 177.6446 8 Q 3.8811 7.8666 118.8335 59.2595 29.1598 177.8034 9 D 4.3769 8.2879 119.8995 56.9580 40.9377 176.7316 10 P 4.2563 0.0000 0.0000 65.6496 31.1348 178.1196 11 F 3.9679 8.1256 119.0647 61.5501 39.3162 177.2571 12 L 3.8088 8.0127 118.3808 57.6721 41.3267 179.1580 13 N 4.5728 8.7488 116.6000 56.2243 38.4297 177.3493 14 A 3.9429 7.9493 122.2655 55.2167 18.3927 179.7589 15 L 3.8560 7.3854 117.3960 57.5544 41.4221 179.8203 16 R 4.0897 7.9386 120.1413 59.1371 29.9809 178.7648 17 R 3.9274 8.2798 116.9035 58.8625 30.1657 177.5656 18 E 4.3465 8.0207 114.4101 55.4213 30.0168 175.8956 19 R 3.7975 7.4446 116.8964 56.9987 28.1751 176.5412 20 V 3.8104 7.4259 117.4997 61.9494 32.3365 174.0672 21 P 4.5677 0.0000 0.0000 63.1698 32.4872 175.6012 22 V 4.8411 8.8777 117.6584 59.6776 35.3298 174.7072 23 S 4.9922 9.1308 120.1575 57.3169 64.9075 173.2318 24 I 4.8323 8.7227 126.1861 59.8510 39.1705 174.3373 25 Y 4.8329 8.9814 126.0800 57.2814 39.4245 175.6177 26 L 4.9530 9.0225 124.0651 53.5509 43.4268 178.4097 27 V 3.8351 8.8955 115.1111 64.0860 31.5534 177.2082 28 N 4.6113 8.1507 114.9030 52.6762 37.7390 175.7886 29 G 4.0827 8.5022 108.7050 45.1273 0.0000 174.2565 30 I 3.8300 8.2441 121.5530 61.5625 38.3105 174.8342 31 K 4.4304 8.5538 127.3772 54.7051 33.5932 175.1293 32 L 4.8334 8.7283 127.6594 53.1916 44.6036 175.5667 33 Q 5.2543 8.3939 119.4894 52.3810 32.5670 176.4660 34 G 4.0327 7.5712 108.3426 46.4539 0.0000 170.9367 35 Q 4.8068 8.0392 119.7435 53.9775 33.7998 175.4584 36 I 4.3204 8.2982 122.6325 61.3415 37.0756 176.6434 37 E 4.1668 9.2284 128.1320 58.9346 29.9078 177.1640 38 S 4.7747 7.6322 111.2670 59.0252 66.0303 173.6352 39 F 5.1705 7.9272 112.4981 56.6755 39.7051 172.9386 40 D 4.6782 8.6355 120.2607 52.2425 41.7065 175.2609 41 Q 3.9890 8.8514 118.2098 58.9593 29.0867 178.2050 42 F 5.0638 8.0674 115.0678 57.3240 41.4803 175.0140 43 V 5.0614 8.5831 112.8151 59.4713 36.3775 174.6319 44 I 5.0062 8.7796 122.1699 59.5745 40.9630 174.9938 45 L 4.6828 9.0705 127.7016 54.3131 42.9062 175.9750 46 L 4.8114 8.7487 128.3212 53.3456 43.1958 174.9039 47 K 4.6354 8.8906 129.6171 54.6913 33.4975 174.0222 48 N 5.1534 8.9408 126.3391 53.4122 38.4998 175.2777 49 T 4.0271 8.2722 103.8788 63.6877 68.9183 174.5995 50 V 4.3686 7.4509 113.6079 58.9291 34.8933 174.4850 51 S 5.0815 8.5185 117.5210 57.6328 62.4906 173.0999 52 Q 4.7158 8.6071 125.7303 54.6349 31.5991 174.1004 53 M 4.7012 8.4425 120.5687 54.3796 33.6728 175.0526 54 V 4.3666 8.6145 126.8612 61.0755 34.2682 174.3674 55 Y 4.5293 8.5346 126.1584 57.4659 38.5487 176.7415 56 K 3.9988 9.1394 125.5264 59.7688 32.3658 178.8614 57 H 4.2434 8.3751 112.5412 57.5615 28.6440 175.5505 58 A 4.5758 8.0363 122.2291 52.0744 19.7735 176.2038 59 I 4.6633 7.7819 118.2371 60.2778 38.3635 175.8065 60 S 4.6701 8.8748 120.5908 60.5338 64.1953 174.7952 61 T 4.6723 7.7587 109.2325 59.7058 72.2771 172.9884 62 V 4.6645 8.4740 124.2542 61.6475 33.0012 174.8844 63 V 4.4339 9.1098 129.9918 60.6542 32.9211 173.3683 64 P 4.7534 0.0000 0.0000 62.6520 31.6159 176.9649 65 S 4.3018 9.1403 122.1420 62.1366 63.2375 175.7672 66 R 4.4866 7.8033 117.8900 53.5810 30.8074 176.6339 67 P 4.5462 0.0000 0.0000 63.4336 30.6188 176.7251 68 V 3.5562 7.6731 122.2862 64.4650 32.4112 171.6567 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 4 G 8.34 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 7.36 4.40 0.00 2.48 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 6 S 8.56 4.29 0.00 4.05 4.04 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 0.00 0.00 0.00 7 L 7.60 4.53 0.00 1.68 1.61 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.87 3.88 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 9 D 8.29 4.38 0.00 2.92 2.87 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 10 P 0.00 4.26 0.00 2.21 2.15 0.00 3.73 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 2.36 2.20 0.00 11 F 8.13 3.97 0.00 3.17 3.15 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 0.00 0.00 0.00 0.00 12 L 8.01 3.81 0.00 0.71 0.70 0.41 0.52 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 13 N 8.75 4.57 0.00 3.07 2.96 0.00 0.00 6.91 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 3.94 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 15 L 7.39 3.86 0.00 1.68 1.61 0.65 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.94 4.09 0.00 2.13 2.18 0.00 3.31 0.00 0.00 3.45 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 17 R 8.28 3.93 0.00 1.86 1.98 0.00 3.21 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 1.68 1.76 0.00 18 E 8.02 4.35 0.00 2.06 1.95 0.00 0.00 0.00 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 2.37 0.00 19 R 7.44 3.80 0.00 1.89 2.00 0.00 3.15 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 20 V 7.43 3.81 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.57 0.00 2.10 1.96 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 8.88 4.84 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 0.91 0.00 0.00 0.92 0.00 0.00 23 S 9.13 4.99 0.00 3.74 3.29 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 0.00 24 I 8.72 4.83 1.84 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 1.25 0.70 0.94 0.00 0.00 25 Y 8.98 4.83 0.00 2.89 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 26 L 9.02 4.95 0.00 1.80 1.70 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.90 3.84 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 0.73 0.00 0.00 1.04 0.00 0.00 28 N 8.15 4.61 0.00 2.83 2.95 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.50 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 0.00 0.00 0.00 0.00 30 I 8.24 3.83 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.90 0.00 0.00 31 K 8.55 4.43 0.00 1.56 1.54 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.86 0.21 7.81 32 L 8.73 4.83 0.00 1.52 1.48 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.39 5.25 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 34 G 7.57 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.04 4.81 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 36 I 8.30 4.32 1.88 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 1.35 1.15 1.03 0.00 0.00 37 E 9.23 4.17 0.00 2.03 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 2.35 2.26 0.00 38 S 7.63 4.77 0.00 3.70 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 39 F 7.93 5.17 0.00 3.20 2.99 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 0.00 0.00 0.00 40 D 8.64 4.68 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.85 3.99 0.00 1.76 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 42 F 8.07 5.06 0.00 3.34 3.14 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 43 V 8.58 5.06 1.90 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 0.29 0.00 0.00 0.92 0.00 0.00 44 I 8.78 5.01 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.94 0.00 0.00 45 L 9.07 4.68 0.00 1.81 1.62 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.75 4.81 0.00 1.76 1.56 1.00 -0.01 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 47 K 8.89 4.64 0.00 1.97 1.66 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 48 N 8.94 5.15 0.00 2.76 1.67 0.00 0.00 7.29 7.27 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 49 T 8.27 4.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 50 V 7.45 4.37 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 0.80 0.00 0.00 0.93 0.00 0.00 51 S 8.52 5.08 0.00 3.98 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 52 Q 8.61 4.72 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 53 M 8.44 4.70 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 54 V 8.61 4.37 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 0.83 0.00 0.00 0.92 0.00 0.00 55 Y 8.53 4.53 0.00 2.93 2.47 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 56 K 9.14 4.00 0.00 1.94 1.94 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.49 1.53 7.81 57 H 8.38 4.24 0.00 3.28 3.55 0.00 5.51 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 58 A 8.04 4.58 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 4.66 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 1.01 0.00 0.00 60 S 8.87 4.67 0.00 3.89 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 61 T 7.76 4.67 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 1.15 0.00 0.00 62 V 8.47 4.66 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 0.97 0.00 0.00 0.97 0.00 0.00 63 V 9.11 4.43 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.11 0.00 0.00 64 P 0.00 4.75 0.00 2.17 1.90 0.00 3.87 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 65 S 9.14 4.30 0.00 3.87 4.03 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 0.00 0.00 0.00 66 R 7.80 4.49 0.00 1.85 1.74 0.00 3.26 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 67 P 0.00 4.55 0.00 2.17 2.16 0.00 3.88 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 68 V 7.67 3.56 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 0.63 0.00 0.00 0.85 0.00 0.00