NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 F 4.7834 8.3093 115.8867 56.2432 39.9702 174.8155 19 L 3.9139 7.2563 122.7963 54.9427 40.5161 176.1261 20 K 4.2356 7.9210 116.0733 58.3714 33.1304 179.8166 21 G 3.6810 7.7142 107.9425 46.8938 0.0000 174.5432 22 L 4.2526 7.4051 119.1468 54.5659 42.7109 176.7722 23 V 3.8552 7.7496 117.9127 64.5818 31.6541 174.6224 24 N 4.2264 9.0512 120.9991 54.4071 36.9989 173.6200 25 H 4.9079 8.0927 114.6068 53.7944 32.3842 174.0758 26 R 4.5848 8.5461 121.6904 56.4698 30.6856 175.5683 27 V 4.7434 9.3946 121.4244 59.3848 35.8444 174.8497 28 G 4.3702 9.1904 108.1917 44.6269 0.0000 171.9708 29 V 4.8788 9.2993 125.8812 61.0117 33.9939 173.9856 30 K 4.7950 8.1988 129.3058 54.6077 34.0995 175.7496 31 L 4.5907 7.7124 127.0071 53.8296 42.7574 177.4871 32 K 4.1502 8.3253 120.1205 59.4702 32.1029 178.4445 33 F 4.6333 7.2673 112.8484 56.7451 39.9957 176.9104 34 N 4.2018 9.0264 117.7341 54.1932 36.5871 176.0964 35 S 4.6503 8.0794 109.2945 58.6079 62.5964 174.2183 36 T 4.8777 7.5238 116.7960 62.5737 71.4177 175.0856 37 E 4.6972 8.7930 126.2918 54.6035 33.2608 173.8251 38 Y 4.9357 9.4102 125.5064 57.2804 39.7036 174.5655 39 R 4.9890 9.3133 123.8634 54.7244 33.1065 176.1484 40 G 3.8399 8.1847 107.7575 46.8876 0.0000 171.2033 41 T 5.0344 7.8010 116.7340 61.9627 70.6783 174.4973 42 L 4.5156 8.6227 129.1187 54.8866 42.0885 177.4963 43 V 3.7184 8.5949 127.9150 65.6465 32.0450 175.7984 44 S 4.5940 7.4559 112.3689 58.6230 66.3703 173.1164 45 T 4.9493 7.9170 113.7665 65.9351 72.2356 172.1089 46 D 4.5387 8.4660 118.4197 53.8892 41.5051 177.0424 47 N 4.1234 8.8318 118.4373 56.9696 37.7622 176.1823 48 Y 3.9558 8.3181 114.6041 58.8576 37.9876 176.9904 49 F 3.8418 8.7708 118.3438 58.4878 37.2467 173.8243 50 N 5.4174 7.8155 119.0206 51.9823 39.9505 174.4649 51 L 5.1249 8.8448 123.7446 53.8969 44.6674 175.0155 52 Q 4.4722 8.8104 122.0270 54.1553 31.3349 173.8610 53 L 5.1468 8.4058 128.2233 53.1844 45.3895 174.4182 54 N 5.2049 9.0200 123.8910 51.2605 42.2351 173.8003 55 E 3.7216 8.7528 121.2320 57.0440 28.1424 175.0583 56 A 4.5141 7.8447 119.5729 52.3222 19.9138 177.2693 57 E 5.0631 9.5695 122.2390 54.3998 33.5715 173.9289 58 E 4.7135 9.1988 128.2898 55.4641 31.4180 174.7246 59 F 4.8923 9.0097 125.3575 55.5301 42.4669 174.0987 60 V 4.4525 8.5384 123.8130 61.1809 33.6423 175.4915 61 A 3.8631 9.7587 132.6755 53.3040 16.5874 177.5901 62 G 4.0339 8.6121 105.8411 46.5703 0.0000 173.9829 63 V 4.4088 7.8750 120.0964 60.3974 33.8399 174.7486 64 S 3.6517 8.4725 121.7794 58.5725 62.6692 173.1678 65 H 4.6931 9.2170 124.0229 55.1299 29.1638 173.1563 66 G 4.1676 6.8326 105.5685 43.8798 0.0000 173.3303 67 T 4.8059 8.1475 116.6762 61.7626 70.1438 174.4983 68 L 4.6912 8.7477 125.8501 52.9201 45.0290 178.5682 69 G 4.0167 8.7644 112.8770 47.1968 0.0000 176.0377 70 E 5.1885 9.4113 123.7480 54.6954 31.9088 174.6062 71 I 4.7860 8.3340 116.3454 59.1912 41.6380 173.9308 72 F 5.1487 9.0978 122.2211 56.0179 41.0246 174.7777 73 I 4.5588 8.7076 124.9976 59.6607 39.8887 175.0717 74 R 4.9172 8.5058 124.8229 55.2673 31.5382 176.6029 75 C 4.1528 9.1384 118.3203 61.0778 29.7335 176.0707 76 N 4.0575 8.3283 117.5382 55.8261 38.4358 175.7899 77 N 4.7008 8.0030 111.8869 54.1061 39.0563 174.5189 78 V 4.2885 8.4404 121.0690 62.5414 31.8718 175.1534 79 L 4.4332 8.8998 131.2899 56.9910 42.8651 175.6007 80 Y 5.0159 7.0894 114.1905 56.2876 41.4993 172.5859 81 I 5.4468 8.7088 119.9072 59.6275 40.5785 175.2648 82 R 4.7778 8.9526 121.4811 54.2820 33.5598 173.5015 83 E 4.6123 8.5989 121.0318 55.1856 30.5727 175.7577 84 L 4.1987 9.2496 128.8942 53.4096 42.7555 177.0958 85 P 4.4865 0.0000 0.0000 63.1216 30.7456 175.9996 86 N 4.4930 7.7883 122.5676 53.8191 37.1795 174.5789 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 18 F 8.31 4.78 0.00 3.18 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 19 L 7.26 3.91 0.00 1.59 1.51 0.80 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.92 4.24 0.00 1.70 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.39 7.81 21 G 7.71 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.41 4.25 0.00 1.62 1.66 0.87 0.55 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 23 V 7.75 3.86 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 0.88 0.00 0.00 0.90 0.00 0.00 24 N 9.05 4.23 0.00 2.79 2.79 0.00 0.00 6.81 8.19 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 25 H 8.09 4.91 0.00 3.29 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.55 4.58 0.00 1.90 1.84 0.00 3.13 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 27 V 9.39 4.74 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 0.69 0.00 0.00 1.00 0.00 0.00 28 G 9.19 4.37 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 0.00 29 V 9.30 4.88 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 0.99 0.00 0.00 1.01 0.00 0.00 30 K 8.20 4.80 0.00 1.34 0.74 0.00 1.32 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.66 1.04 7.81 31 L 7.71 4.59 0.00 1.00 0.79 0.76 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.33 4.15 0.00 1.80 1.90 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.51 7.81 33 F 7.27 4.63 0.00 3.15 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 34 N 9.03 4.20 0.00 2.86 2.79 0.00 0.00 6.73 7.57 0.00 0.00 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 S 8.08 4.65 0.00 3.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.52 4.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 37 E 8.79 4.70 0.00 1.83 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 38 Y 9.41 4.94 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.31 4.99 0.00 1.72 1.74 0.00 2.21 0.00 0.00 2.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.25 0.00 40 G 8.18 3.84 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 0.00 0.00 0.00 41 T 7.80 5.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 42 L 8.62 4.52 0.00 1.78 1.71 1.00 0.49 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 43 V 8.59 3.72 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 0.85 0.00 0.00 0.92 0.00 0.00 44 S 7.46 4.59 0.00 3.91 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 45 T 7.92 4.95 4.21 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 1.20 0.00 0.00 46 D 8.47 4.54 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 47 N 8.83 4.12 0.00 2.90 2.97 0.00 0.00 6.95 7.46 0.00 0.00 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 Y 8.32 3.96 0.00 3.39 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 49 F 8.77 3.84 0.00 3.29 3.19 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 0.00 0.00 0.00 50 N 7.82 5.42 0.00 3.11 2.86 0.00 0.00 6.56 6.62 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 51 L 8.84 5.12 0.00 1.72 1.73 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.81 4.47 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 53 L 8.41 5.15 0.00 1.67 1.35 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.02 5.20 0.00 2.82 2.57 0.00 0.00 7.16 7.61 0.00 0.00 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 8.75 3.72 0.00 2.16 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 2.26 2.24 0.00 56 A 7.84 4.51 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 57 E 9.57 5.06 0.00 2.12 2.13 0.00 0.00 0.00 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 2.31 0.00 58 E 9.20 4.71 0.00 2.26 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 59 F 9.01 4.89 0.00 3.16 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 60 V 8.54 4.45 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.65 0.00 0.00 61 A 9.76 3.86 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 62 G 8.61 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 63 V 7.88 4.41 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 1.04 0.00 0.00 1.03 0.00 0.00 64 S 8.47 3.65 0.00 3.30 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 65 H 9.22 4.69 0.00 2.98 3.22 0.00 5.71 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 66 G 6.83 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 67 T 8.15 4.81 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 1.27 0.00 0.00 68 L 8.75 4.69 0.00 1.46 1.59 1.00 0.92 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 69 G 8.76 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 70 E 9.41 5.19 0.00 1.96 1.79 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 2.32 2.26 0.00 71 I 8.33 4.79 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.70 0.85 0.00 0.00 72 F 9.10 5.15 0.00 2.83 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 73 I 8.71 4.56 1.91 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 1.11 0.66 0.98 0.00 0.00 74 R 8.51 4.92 0.00 1.81 1.92 0.00 3.65 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 75 C 9.14 4.15 0.00 3.14 3.69 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 76 N 8.33 4.06 0.00 2.79 3.00 0.00 0.00 6.93 8.00 0.00 0.00 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 N 8.00 4.70 0.00 2.91 3.06 0.00 0.00 6.65 7.56 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 78 V 8.44 4.29 2.16 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 0.80 0.00 0.00 1.13 0.00 0.00 79 L 8.90 4.43 0.00 1.58 1.50 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.09 5.02 0.00 3.02 3.04 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 81 I 8.71 5.45 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.94 1.03 0.00 0.00 82 R 8.95 4.78 0.00 1.85 1.99 0.00 2.78 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 83 E 8.60 4.61 0.00 1.96 1.86 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 2.24 2.33 0.00 84 L 9.25 4.20 0.00 1.65 1.53 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.49 0.00 2.15 2.12 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 86 N 7.79 4.49 0.00 2.80 2.84 0.00 0.00 6.67 7.42 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