NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7220 8.3033 117.7956 55.7566 30.9231 171.5232 6 L 4.9028 7.9799 118.6717 51.8485 44.7613 174.9480 7 C 4.4981 8.9371 123.2994 59.4691 32.7890 174.5035 8 S 4.4003 9.1274 122.0249 60.2163 63.3484 175.6150 9 I 4.0300 7.8704 121.9152 63.5709 37.5251 176.2744 10 C 4.6409 8.0967 111.7149 57.2097 30.8551 175.2180 11 G 3.9821 8.1593 108.4163 45.2643 0.0000 173.0430 12 D 4.6442 7.5997 119.4053 53.2124 43.0945 175.0987 13 R 4.3055 8.4948 122.4903 56.5994 30.3818 175.9686 14 A 4.7750 8.7056 128.9019 50.6532 20.9635 176.9878 15 S 4.5400 8.3349 112.0917 55.4199 63.7311 175.0977 16 G 3.9283 7.6153 108.8842 46.0317 0.0000 173.3890 17 K 4.1893 7.4540 116.3682 56.4537 33.5612 177.5300 18 H 3.5624 7.8060 112.9494 57.1134 26.2087 173.7868 19 Y 3.8427 9.1897 124.1034 59.2459 35.5229 171.9404 20 G 4.0825 8.1138 107.9050 45.2055 0.0000 174.9777 21 V 4.3826 7.8774 111.9226 59.1416 36.6067 174.2263 22 Y 5.0199 8.7950 121.0097 58.3458 38.4847 175.5703 23 S 5.1296 8.5860 118.1959 56.5607 67.3952 173.3180 24 C 4.7826 8.5316 115.3178 56.9988 31.3762 174.2996 25 E 4.0098 8.9666 119.7939 59.7308 28.8084 179.9297 26 G 3.6017 8.0420 104.8499 48.1938 0.0000 175.2667 27 C 4.2787 8.1461 119.5852 62.0643 28.1090 176.1703 28 K 4.2771 8.6287 121.6065 59.6144 31.8770 178.9272 29 G 3.8207 8.6177 106.3755 47.9305 0.0000 175.2912 30 F 4.3094 9.1464 123.4740 60.9862 39.4841 176.8845 31 F 4.0904 8.9391 120.7312 61.1651 39.1913 176.6749 32 K 3.5744 8.4920 119.3018 59.7673 32.0435 178.7549 33 R 3.8577 7.8878 117.9787 59.5399 29.9169 179.0384 34 T 3.4801 7.6580 115.5646 66.5018 68.3287 176.7711 35 V 3.2240 7.2002 119.6834 65.8867 31.3937 177.9400 36 R 3.7523 7.6066 116.8003 59.1740 29.9475 177.7831 37 K 4.1912 7.6259 112.9422 55.2900 32.2618 176.7896 38 D 4.0646 7.7123 113.5836 55.2047 39.0794 172.1654 39 L 4.4251 8.0750 122.5244 52.4019 43.9602 176.2484 40 T 4.1507 7.8051 117.7827 61.8613 70.7328 173.4768 41 Y 4.9369 8.2043 122.7946 56.2164 40.7836 174.7638 42 A 4.6658 8.3975 122.6784 50.6346 21.9250 175.3665 43 C 4.3428 8.0664 123.5223 58.9542 32.1726 173.7565 44 R 4.3067 8.5868 125.1173 57.5546 31.5357 176.5967 45 E 4.6719 7.7136 113.7765 56.6419 30.8812 178.1311 46 N 4.8118 8.9090 123.8912 54.0725 37.6576 176.6288 47 R 4.7224 6.6608 121.8691 55.8789 31.7380 174.3775 48 N 5.1403 8.1417 111.9810 52.5449 38.2027 174.1215 49 C 4.2592 8.3075 115.6250 60.6728 28.6875 173.6285 50 I 3.5886 8.4277 124.0972 64.4097 36.7957 176.1739 51 I 3.1471 7.6943 124.8940 61.7389 33.8471 172.4450 52 D 4.9065 7.9043 122.0229 50.6281 42.4146 176.5990 53 K 4.0343 8.6897 117.1310 59.5475 32.6518 177.8822 54 R 4.2690 8.1949 117.4810 57.7826 31.0961 177.0478 55 Q 4.4792 9.3527 115.6811 55.1290 29.3966 177.3299 56 R 3.9199 7.8130 115.8875 59.3340 29.1303 177.0654 57 N 4.5621 7.8938 112.8570 53.2961 38.6239 175.9111 58 R 4.0399 8.2694 119.0865 58.1419 30.6888 176.9159 59 C 4.4783 7.5682 117.5811 57.1328 34.0103 173.9832 60 Q 3.6958 8.5823 128.6993 58.7501 28.2812 177.9573 61 Y 4.2024 7.9993 120.1627 61.2349 39.0428 177.9748 62 C 4.4018 8.3803 117.0539 62.5130 28.2405 176.0553 63 R 3.8515 8.0528 120.6126 59.5044 29.6388 177.7184 64 Y 4.5070 8.4751 119.2962 61.1874 38.7828 177.9343 65 Q 3.7986 8.1700 118.7725 59.1484 28.9746 179.3447 66 K 4.0877 8.1049 121.3587 58.7078 32.0093 178.8170 67 C 4.0747 7.9626 117.4716 62.6321 28.1292 175.8554 68 L 4.0117 7.7302 120.9192 58.0900 41.3872 179.8386 69 T 3.9678 8.2048 109.6664 64.4137 68.4987 175.4334 70 C 4.4800 7.6015 117.3686 59.7131 28.4807 173.7662 71 G 4.0070 7.9210 108.8689 45.5472 0.0000 174.3771 72 M 4.0843 7.2490 119.7522 55.9340 32.1087 176.1739 73 K 4.6607 8.2850 123.0102 54.8708 34.9245 178.8664 74 R 4.3235 8.5451 122.1859 56.3570 31.5875 178.5076 75 E 3.8668 9.2190 121.2764 59.0709 28.8432 175.8868 76 A 4.0620 9.5089 118.7660 53.0471 18.8473 177.0619 77 V 4.1942 6.9399 116.7581 61.0004 31.9140 175.7110 78 Q 4.3743 8.5319 130.4458 56.5848 30.5834 175.4824 79 E 4.5063 8.8651 115.0078 57.4799 33.5844 171.3778 80 E 4.2275 8.9772 118.9842 55.5790 29.6636 171.8584 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 H 8.30 4.72 0.00 2.94 2.78 0.00 5.54 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.98 4.90 0.00 1.63 1.52 0.89 0.62 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 7 C 8.94 4.50 0.00 3.02 2.97 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 8 S 9.13 4.40 0.00 3.99 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 9 I 7.87 4.03 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.57 0.94 0.00 0.00 10 C 8.10 4.64 0.00 3.14 3.10 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 11 G 8.16 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.60 4.64 0.00 2.78 2.56 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 0.00 0.00 0.00 0.00 13 R 8.49 4.31 0.00 1.87 1.84 0.00 3.28 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 14 A 8.71 4.77 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 15 S 8.33 4.54 0.00 3.83 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 16 G 7.62 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 0.00 0.00 0.00 17 K 7.45 4.19 0.00 1.51 1.47 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.87 7.81 18 H 7.81 3.56 0.00 3.10 3.01 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.19 3.84 0.00 3.11 3.12 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 20 G 8.11 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 21 V 7.88 4.38 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 0.70 0.00 0.00 0.87 0.00 0.00 22 Y 8.80 5.02 0.00 2.95 3.08 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 23 S 8.59 5.13 0.00 3.89 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 24 C 8.53 4.78 0.00 3.15 3.13 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 0.00 0.00 0.00 25 E 8.97 4.01 0.00 2.01 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 2.42 2.35 0.00 26 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.15 4.28 0.00 3.06 3.12 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 28 K 8.63 4.28 0.00 1.74 2.03 0.00 0.93 0.00 0.00 1.42 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.32 7.81 29 G 8.62 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.15 4.31 0.00 3.18 3.43 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 0.00 0.00 0.00 0.00 31 F 8.94 4.09 0.00 3.39 3.37 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 32 K 8.49 3.57 0.00 2.21 2.06 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 33 R 7.89 3.86 0.00 1.87 1.93 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 34 T 7.66 3.48 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 0.09 0.00 0.00 35 V 7.20 3.22 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 0.81 0.00 0.00 0.20 0.00 0.00 36 R 7.61 3.75 0.00 1.75 1.95 0.00 3.32 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 37 K 7.63 4.19 0.00 1.65 1.74 0.00 1.80 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.43 7.81 38 D 7.71 4.06 0.00 2.52 2.52 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 39 L 8.07 4.43 0.00 0.91 0.96 0.87 0.52 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 40 T 7.81 4.15 4.11 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 0.00 0.00 1.20 0.00 0.00 41 Y 8.20 4.94 0.00 3.17 2.98 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 0.00 0.00 0.00 42 A 8.40 4.67 1.23 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 0.00 0.00 43 C 8.07 4.34 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.59 4.31 0.00 1.84 1.96 0.00 3.22 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 45 E 7.71 4.67 0.00 1.91 1.12 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 2.20 2.23 0.00 46 N 8.91 4.81 0.00 2.87 2.04 0.00 0.00 6.59 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 47 R 6.66 4.72 0.00 1.86 2.06 0.00 3.12 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.43 0.00 48 N 8.14 5.14 0.00 2.78 2.85 0.00 0.00 6.30 7.68 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 49 C 8.31 4.26 0.00 3.03 2.93 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 50 I 8.43 3.59 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 1.42 0.73 0.91 0.00 0.00 51 I 7.69 3.15 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.65 0.89 0.00 0.00 52 D 7.90 4.91 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 4.03 0.00 1.88 2.10 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.46 7.81 54 R 8.19 4.27 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 55 Q 9.35 4.48 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 56 R 7.81 3.92 0.00 1.81 2.25 0.00 3.01 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 57 N 7.89 4.56 0.00 2.67 2.80 0.00 0.00 6.94 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 58 R 8.27 4.04 0.00 1.81 1.97 0.00 3.13 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 59 C 7.57 4.48 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.58 3.70 0.00 1.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 61 Y 8.00 4.20 0.00 3.29 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 62 C 8.38 4.40 0.00 3.10 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 63 R 8.05 3.85 0.00 1.78 1.81 0.00 2.57 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 64 Y 8.48 4.51 0.00 3.51 3.26 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 0.00 0.00 0.00 0.00 65 Q 8.17 3.80 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 1.99 2.41 0.00 66 K 8.10 4.09 0.00 2.00 1.96 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.34 7.81 67 C 7.96 4.07 0.00 3.23 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 68 L 7.73 4.01 0.00 1.70 1.60 0.62 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.20 3.97 4.23 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 1.26 0.00 0.00 70 C 7.60 4.48 0.00 3.07 2.98 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 0.00 0.00 0.00 71 G 7.92 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 0.00 0.00 0.00 72 M 7.25 4.08 0.00 0.51 1.39 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 73 K 8.29 4.66 0.00 1.79 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.44 7.81 74 R 8.55 4.32 0.00 1.82 1.80 0.00 3.33 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 75 E 9.22 3.87 0.00 2.27 2.09 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 2.31 2.36 0.00 76 A 9.51 4.06 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 77 V 6.94 4.19 1.87 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 0.67 0.00 0.00 0.17 0.00 0.00 78 Q 8.53 4.37 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.38 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 79 E 8.87 4.51 0.00 1.94 1.66 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 2.14 1.86 0.00 80 E 8.98 4.23 0.00 2.06 1.75 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 2.15 1.85 0.00