NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 47 C 4.5962 8.4549 120.6324 56.3203 44.7931 173.1025 48 E 4.3641 8.1941 123.9476 54.7159 30.7762 175.8898 49 K 4.0966 8.4407 120.8719 60.0070 33.4339 179.3002 50 D 4.4179 8.0961 114.3963 53.9102 38.8356 175.0653 51 Q 5.2085 7.6997 117.8458 54.5322 32.2973 174.5727 52 F 4.9175 9.2732 122.9300 56.4623 42.4450 173.6237 53 Q 4.4048 8.1256 127.4825 55.1906 29.6274 176.2652 54 C 4.3505 8.8848 124.7475 56.4180 40.9881 174.8952 55 R 3.8870 8.1530 119.4281 58.2544 29.6823 178.1832 56 N 4.3663 7.3492 115.3889 54.3485 38.5491 176.1566 57 E 3.9624 7.9102 115.9731 56.2396 29.2938 174.8775 58 R 4.0494 7.6335 119.2184 56.8424 31.3129 175.6034 59 C 5.5276 8.7547 122.5976 55.1311 38.7811 173.1325 60 I 4.8313 8.4418 116.1393 57.9671 41.3999 173.2629 61 P 4.4195 0.0000 0.0000 62.7403 31.3696 177.6515 62 S 4.4116 8.6925 118.3424 60.9055 62.3933 175.8154 63 V 3.8299 7.5099 117.5550 64.1854 31.5033 176.0703 64 W 5.2038 8.1701 117.5644 56.7036 29.5529 176.4901 65 R 3.8769 7.4122 120.3919 57.3715 30.1039 175.3794 66 C 3.9715 8.8634 123.1573 58.5810 33.1645 173.1694 67 D 4.7566 8.6895 114.8273 52.6125 40.2502 176.4913 68 E 3.8708 8.7858 116.1998 57.5141 27.5126 173.7023 69 D 4.7889 7.9980 117.6395 52.3862 43.6199 175.8788 70 D 4.6146 8.5212 122.9321 53.6539 40.1883 175.1147 71 D 4.6990 9.3425 127.1843 55.4405 42.0113 178.0560 72 C 4.4365 8.4427 116.4242 58.0837 40.2742 174.8112 73 L 4.0048 8.7012 117.0465 54.5913 38.6806 173.9933 74 D 4.7421 7.6414 116.4720 52.2632 39.8925 174.9853 75 H 4.4008 8.9210 113.5791 56.9720 28.0084 176.2349 76 S 5.2278 8.1627 113.9456 60.3082 63.4672 174.3745 77 D 4.3961 8.2471 120.2864 54.4035 39.7015 176.9561 78 E 4.5933 7.6868 117.4130 56.2787 32.0499 176.8256 79 D 4.3849 8.4061 119.0666 56.6771 40.9362 175.2029 80 D 4.7475 7.8742 119.8692 52.6115 41.1589 176.3132 81 C 4.4982 8.2986 122.4218 57.0347 42.3716 174.3579 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 47 C 8.45 4.60 0.00 2.90 3.01 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 48 E 8.19 4.36 0.00 2.16 1.83 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 2.28 2.37 0.00 49 K 8.44 4.10 0.00 1.85 1.85 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 50 D 8.10 4.42 0.00 2.77 2.85 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 51 Q 7.70 5.21 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.61 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 52 F 9.27 4.92 0.00 3.04 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 53 Q 8.13 4.40 0.00 1.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 54 C 8.88 4.35 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 3.89 0.00 2.02 1.98 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 56 N 7.35 4.37 0.00 2.79 2.87 0.00 0.00 7.06 7.54 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 57 E 7.91 3.96 0.00 2.13 2.14 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 2.18 2.20 0.00 58 R 7.63 4.05 0.00 1.89 1.80 0.00 3.16 0.00 0.00 3.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 59 C 8.75 5.53 0.00 2.84 3.05 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 60 I 8.44 4.83 2.22 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.23 1.15 0.00 0.00 61 P 0.00 4.42 0.00 1.16 1.52 0.00 2.97 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.50 0.00 62 S 8.69 4.41 0.00 3.91 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 63 V 7.51 3.83 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 0.90 0.00 0.00 0.86 0.00 0.00 64 W 8.17 5.20 0.00 3.51 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.41 3.88 0.00 1.24 1.86 0.00 2.78 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 66 C 8.86 3.97 0.00 3.14 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 67 D 8.69 4.76 0.00 2.78 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 68 E 8.79 3.87 0.00 2.14 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 2.22 2.25 0.00 69 D 8.00 4.79 0.00 2.76 2.37 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 70 D 8.52 4.61 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.34 4.70 0.00 2.97 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 72 C 8.44 4.44 0.00 3.17 3.54 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 73 L 8.70 4.00 0.00 1.78 2.00 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.64 4.74 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 75 H 8.92 4.40 0.00 3.44 3.59 0.00 5.45 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.16 5.23 0.00 4.13 4.10 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 0.00 0.00 0.00 0.00 77 D 8.25 4.40 0.00 2.84 3.25 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 0.00 78 E 7.69 4.59 0.00 2.04 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 2.24 2.40 0.00 79 D 8.41 4.38 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.87 4.75 0.00 2.60 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 81 C 8.30 4.50 0.00 2.91 2.86 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 0.00 0.00 0.00 0.00