NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2180 8.4449 120.2266 56.3340 30.2523 175.2106 6 I 4.1387 8.0764 126.0347 58.0770 37.9143 173.3876 7 P 4.4680 0.0000 0.0000 62.1547 33.1579 177.7668 8 L 3.9814 8.6708 121.2260 58.3239 41.5892 179.1944 9 H 3.9214 8.3644 117.6843 59.4303 29.4765 176.6467 10 E 3.9656 8.0441 120.2695 59.2701 29.5707 178.6301 11 I 3.8564 7.8254 119.3727 65.5708 37.1935 177.3016 12 I 3.4594 7.7871 118.3687 65.2564 36.9640 177.7317 13 R 4.6938 8.2648 120.0627 59.0332 30.0802 178.8472 14 K 3.8777 8.8673 120.1941 59.7964 32.2127 178.7736 15 L 4.0311 7.9878 119.0043 57.6841 41.4934 178.6569 16 E 3.8934 8.6635 118.8810 59.8768 29.3751 179.4155 17 R 3.9269 7.9975 116.8061 59.9083 30.3514 178.8975 18 M 4.0020 7.7550 118.1618 58.4879 31.8823 178.4549 19 N 4.2618 8.2267 116.7805 56.9905 39.0861 177.0479 20 Q 4.6497 8.0732 120.4953 58.0478 28.5794 179.3161 21 K 4.0098 8.2363 119.9176 59.2344 32.2043 179.2748 22 K 3.9634 8.1226 119.4597 59.0324 32.1048 178.8374 23 Q 3.9734 8.4666 118.9942 59.0927 28.7212 178.4284 24 A 4.0349 7.7643 121.5341 55.2930 17.9527 179.5137 25 Q 4.1024 8.4515 116.9014 58.9923 28.4725 179.4556 26 R 4.0520 7.6791 119.0544 58.7857 30.3472 178.3581 27 K 3.9972 8.4465 119.6869 59.8857 32.0077 178.6923 28 R 3.8730 8.4181 118.1526 59.6871 29.8558 178.4113 29 H 4.1465 7.5724 115.3373 59.1994 30.1740 176.8030 30 K 3.9279 9.0497 122.3766 59.5217 32.0192 178.2880 31 L 3.9329 7.6773 120.3515 58.4947 41.4499 178.7824 32 N 4.3520 8.3975 116.3360 56.4222 38.4740 177.4661 33 R 3.7552 7.9154 118.4654 58.2712 30.1851 178.9178 34 K 3.9545 7.6947 119.9613 59.3615 32.0833 178.5863 35 E 4.0983 8.0557 116.9034 58.8644 29.5035 178.8119 36 R 4.1917 7.4700 117.6329 56.5568 30.2950 176.9623 37 G 3.8007 7.6989 105.2494 46.6827 0.0000 172.6075 38 H 4.7760 8.1241 118.6014 54.3986 31.1021 174.3333 39 K 4.7330 7.6310 123.3548 54.3595 36.2723 176.1245 40 S 4.3355 9.0608 115.9596 57.2640 63.4163 173.3467 41 P 4.2204 0.0000 0.0000 66.0575 31.1613 178.9123 42 S 4.2409 8.0689 112.2151 61.6529 62.5532 176.2647 43 E 4.0167 8.1816 122.0108 58.8881 29.0563 179.1057 44 Q 4.0370 7.6842 117.0692 59.3464 28.7385 178.3784 45 R 3.9325 8.0808 118.0526 59.7999 29.9839 178.8812 46 R 3.7019 7.9036 118.2852 58.9098 30.5695 178.1540 47 S 4.4008 7.5496 112.3875 60.6476 62.1747 175.8804 48 E 4.2072 8.9660 121.4870 59.0430 29.0122 179.0687 49 L 4.2071 8.6591 120.4651 57.1053 42.2517 178.3443 50 W 4.3026 8.1427 128.6300 60.4919 30.8347 177.7628 51 H 4.0816 8.2727 115.4767 58.8524 27.9806 177.1727 52 A 4.0271 7.2896 121.9267 55.4995 18.1859 179.4327 53 R 3.8638 7.4235 116.0926 59.0777 30.4945 178.1815 54 Q 3.9789 7.2985 117.2921 57.8424 28.8817 177.5097 55 V 3.8301 7.9626 115.9735 63.8189 31.1935 175.7467 56 E 4.6269 7.7702 115.3055 56.5139 30.6498 176.8740 57 L 4.1785 7.9220 119.8249 57.2522 42.3316 176.8645 58 S 4.2848 7.8594 115.6963 58.4982 63.1362 173.7318 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 5 E 8.44 4.22 0.00 1.97 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 2.21 2.34 0.00 6 I 8.08 4.14 1.87 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 1.42 0.71 0.92 0.00 0.00 7 P 0.00 4.47 0.00 2.20 1.98 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 8 L 8.67 3.98 0.00 1.70 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.36 3.92 0.00 3.19 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.04 3.97 0.00 2.09 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 2.35 2.50 0.00 11 I 7.83 3.86 1.94 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 1.90 1.17 0.91 0.00 0.00 12 I 7.79 3.46 1.89 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 1.38 0.49 0.84 0.00 0.00 13 R 8.26 4.69 0.00 1.92 2.07 0.00 3.20 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 14 K 8.87 3.88 0.00 1.78 2.04 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 15 L 7.99 4.03 0.00 1.90 1.69 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 3.89 0.00 2.18 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 2.32 2.36 0.00 17 R 8.00 3.93 0.00 1.88 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 1.66 1.85 0.00 18 M 7.76 4.00 0.00 2.00 2.28 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 2.78 2.56 0.00 19 N 8.23 4.26 0.00 2.84 2.97 0.00 0.00 7.24 6.43 0.00 0.00 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 8.07 4.65 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 21 K 8.24 4.01 0.00 2.06 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 22 K 8.12 3.96 0.00 1.96 1.90 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 23 Q 8.47 3.97 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 24 A 7.76 4.03 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 25 Q 8.45 4.10 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 26 R 7.68 4.05 0.00 2.05 1.96 0.00 3.16 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 27 K 8.45 4.00 0.00 1.85 1.83 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 28 R 8.42 3.87 0.00 1.97 1.97 0.00 3.19 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 29 H 7.57 4.15 0.00 3.24 3.53 0.00 5.96 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 9.05 3.93 0.00 1.79 1.90 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 31 L 7.68 3.93 0.00 1.81 1.85 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.40 4.35 0.00 3.05 2.86 0.00 0.00 7.02 7.72 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 33 R 7.92 3.76 0.00 1.86 1.98 0.00 2.96 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.78 0.00 34 K 7.69 3.95 0.00 1.76 2.02 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 35 E 8.06 4.10 0.00 1.97 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 2.31 2.39 0.00 36 R 7.47 4.19 0.00 1.77 2.00 0.00 3.21 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 37 G 7.70 3.80 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 0.00 0.00 0.00 38 H 8.12 4.78 0.00 3.08 3.20 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.63 4.73 0.00 1.63 1.56 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.35 7.81 40 S 9.06 4.34 0.00 3.98 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 41 P 0.00 4.22 0.00 2.19 2.13 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 42 S 8.07 4.24 0.00 4.04 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 43 E 8.18 4.02 0.00 2.15 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 2.29 2.32 0.00 44 Q 7.68 4.04 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 45 R 8.08 3.93 0.00 2.01 1.97 0.00 3.16 0.00 0.00 3.34 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 46 R 7.90 3.70 0.00 1.79 2.01 0.00 3.13 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 47 S 7.55 4.40 0.00 3.99 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 48 E 8.97 4.21 0.00 2.06 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 0.00 2.39 2.46 0.00 49 L 8.66 4.21 0.00 1.76 1.79 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.14 4.30 0.00 3.54 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 51 H 8.27 4.08 0.00 3.28 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.29 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.42 3.86 0.00 1.61 1.72 0.00 3.17 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 54 Q 7.30 3.98 0.00 1.79 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 55 V 7.96 3.83 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 0.73 0.00 0.00 1.00 0.00 0.00 56 E 7.77 4.63 0.00 2.07 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 2.18 2.24 0.00 57 L 7.92 4.18 0.00 1.57 1.66 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.86 4.28 0.00 3.96 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