NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1085 8.1744 115.2441 60.8606 68.5790 173.4411 4 S 3.5754 7.2455 113.1251 55.8932 62.7201 171.1271 5 E 3.7594 8.2891 119.4268 59.0154 31.7623 178.1518 6 L 4.8209 7.3710 121.1574 52.3399 41.0135 174.4824 7 L 4.5018 7.2337 124.1523 54.7476 49.2465 176.1868 8 K 3.9969 7.9640 119.2552 59.7570 32.0595 178.2038 9 H 4.1985 8.3470 116.4508 59.1422 28.6560 177.5194 10 I 3.7033 7.9834 120.9302 64.7785 36.8571 177.5855 11 Y 4.2644 8.1942 119.8635 60.8756 38.7073 177.5061 12 D 4.1094 8.3911 119.9807 57.6752 40.9518 178.9742 13 I 3.7942 7.9828 118.7756 64.0062 37.8240 177.7528 14 N 4.2961 8.2330 117.5544 56.1658 38.4069 177.0123 15 L 3.8083 7.8833 121.9983 58.1397 42.1510 178.6417 16 S 4.0275 8.4232 113.3247 61.6894 62.1654 175.5776 17 Y 3.9185 8.2627 122.0448 60.7868 38.6519 177.8392 18 L 4.0244 8.3873 120.2428 57.9008 41.6506 179.6915 19 L 3.9009 8.2335 119.0571 57.6202 41.5348 179.1453 20 L 3.8071 7.8063 119.9499 58.2422 41.9841 178.7689 21 A 3.7780 7.8470 120.8593 55.1998 18.2120 179.4449 22 Q 3.8421 7.8474 117.8634 59.1135 29.0002 178.2520 23 R 3.8212 8.1491 120.1406 59.6425 30.1611 178.5965 24 L 4.0070 8.2012 118.9781 57.6707 41.2948 179.6573 25 I 3.7277 7.5672 119.3039 64.4803 37.1324 178.6263 26 V 3.7591 7.5414 112.1342 64.1377 31.3559 178.2091 27 Q 4.3109 7.7144 118.9701 57.7949 29.3482 175.6205 28 D 4.2377 7.8549 116.7690 52.1344 43.7819 175.7040 29 K 3.8943 8.6159 128.9609 59.5702 31.6676 177.6633 30 A 3.9726 8.1594 120.3151 55.7312 18.1963 179.5786 31 S 4.0653 9.2101 112.4743 61.6612 63.0810 176.5856 32 A 4.0001 8.0175 123.4171 55.9451 17.9899 179.6113 33 M 4.0530 8.6436 117.0916 58.6469 31.9991 178.4716 34 F 4.0206 8.0139 120.2129 60.7200 39.4815 177.2985 35 R 4.0808 8.7285 118.1465 59.1941 30.2292 177.8470 36 L 4.2627 8.0166 115.6930 54.3758 42.9814 176.0584 37 G 3.5582 8.3011 105.6135 45.3742 0.0000 172.7184 38 I 4.6019 7.8306 109.9907 58.0955 41.4418 175.7830 39 N 4.7054 8.3821 119.9779 52.0791 39.7819 175.6906 40 E 3.9436 8.5501 120.0792 59.4250 29.6018 178.3299 41 E 3.9450 8.1889 118.2629 59.4548 29.4842 178.6195 42 M 3.9571 9.0042 118.3242 58.7155 32.3584 177.8021 43 A 3.9732 7.9653 120.7216 55.7603 18.4184 179.7794 44 T 3.7835 8.1354 113.9148 67.2854 68.3809 177.1855 45 T 3.9612 7.8722 116.1179 66.3399 68.2210 176.6060 46 L 4.1479 8.2585 121.2333 57.6060 41.5060 179.1222 47 A 3.9867 7.8276 119.5169 55.0558 18.3354 179.1593 48 A 4.0430 7.7306 118.0626 54.4759 18.8501 178.0608 49 L 4.1805 6.7632 114.6387 54.5473 42.8992 177.3754 50 T 4.7002 8.2000 110.7609 59.3445 72.6939 175.0052 51 L 3.9012 8.4461 123.0541 57.9402 41.5934 178.1755 52 P 4.2678 0.0000 0.0000 65.8474 31.0170 178.6824 53 Q 4.0502 7.7432 116.0182 59.1283 28.5139 178.9271 54 M 4.0870 8.5118 120.1539 58.4843 31.9584 178.9613 55 V 3.8847 8.0675 118.2035 65.6522 31.3005 178.3680 56 K 4.0196 7.5383 117.7018 59.5562 32.0641 178.9490 57 L 4.1460 7.5831 117.2455 57.7639 41.6117 179.2152 58 A 4.2068 8.3583 120.2174 54.0810 19.7049 178.5326 59 E 4.4755 7.7558 119.5567 55.0134 26.3988 174.0866 60 T 4.7204 7.2556 115.0236 60.5080 71.5207 172.4458 61 N 4.9482 8.6889 117.3715 52.3078 37.5239 174.3119 62 Q 4.7183 7.2476 116.5350 54.1848 31.7846 175.6075 63 L 4.2230 8.2362 120.3874 55.0155 42.3216 177.6150 64 V 4.0920 8.0516 113.2824 61.3987 32.1541 175.8114 65 C 4.5138 7.2075 113.7218 56.4229 32.3376 173.2704 66 H 4.6883 8.2560 118.3517 54.4547 29.9970 174.6769 67 F 4.5978 8.5810 123.0679 57.3323 38.4278 174.8539 68 R 3.3304 7.8201 127.5927 60.5199 30.5571 177.6901 69 F 4.4981 6.0925 118.7406 57.0532 38.3093 175.6159 70 D 3.7748 8.1350 113.3649 56.9156 39.3964 177.8252 71 S 3.7357 6.6942 110.3026 55.9693 63.0002 174.3710 72 H 4.2284 8.7276 125.9228 58.7839 28.4354 177.2839 73 Q 4.0548 8.1030 121.0632 59.0644 28.7716 177.8053 74 T 4.1589 7.9631 116.5045 66.2811 68.7247 176.5560 75 I 3.9078 7.6642 121.6782 64.6569 37.0002 178.3571 76 T 3.9039 7.4393 115.8393 66.6779 68.3486 176.5216 77 Q 4.0868 7.9618 118.9488 57.9524 28.7146 177.2174 78 L 4.2892 7.4099 124.0097 54.6301 42.0748 175.9957 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 3 T 8.17 4.11 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 1.23 0.00 0.00 4 S 7.25 3.58 0.00 4.11 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 5 E 8.29 3.76 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 6 L 7.37 4.82 0.00 1.71 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.23 4.50 0.00 1.74 1.65 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.96 4.00 0.00 1.84 1.91 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.56 7.81 9 H 8.35 4.20 0.00 3.25 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.98 3.70 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.48 1.09 0.00 0.00 11 Y 8.19 4.26 0.00 3.06 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.11 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.79 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 1.05 0.00 0.00 14 N 8.23 4.30 0.00 3.01 2.83 0.00 0.00 6.58 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 15 L 7.88 3.81 0.00 1.19 1.46 0.86 0.54 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 16 S 8.42 4.03 0.00 4.04 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 17 Y 8.26 3.92 0.00 3.21 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 18 L 8.39 4.02 0.00 1.93 1.73 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.23 3.90 0.00 1.77 1.67 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.81 3.81 0.00 1.74 1.47 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.85 3.78 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 0.00 0.00 0.00 0.00 0.00 22 Q 7.85 3.84 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 23 R 8.15 3.82 0.00 1.95 2.02 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 24 L 8.20 4.01 0.00 1.83 1.66 0.88 0.71 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 25 I 7.57 3.73 1.97 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 1.50 0.71 0.94 0.00 0.00 26 V 7.54 3.76 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 0.76 0.00 0.00 0.96 0.00 0.00 27 Q 7.71 4.31 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 28 D 7.85 4.24 0.00 2.66 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 29 K 8.62 3.89 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 30 A 8.16 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.21 4.07 0.00 3.82 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.64 4.05 0.00 2.17 2.37 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 2.89 2.56 0.00 34 F 8.01 4.02 0.00 3.14 3.09 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 0.00 0.00 0.00 35 R 8.73 4.08 0.00 1.98 2.06 0.00 3.21 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 36 L 8.02 4.26 0.00 1.74 1.76 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.30 3.56 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 0.00 0.00 0.00 38 I 7.83 4.60 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.93 0.00 0.00 39 N 8.38 4.71 0.00 3.01 3.00 0.00 0.00 5.63 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 40 E 8.55 3.94 0.00 2.06 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 2.38 2.40 0.00 41 E 8.19 3.95 0.00 2.20 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 2.40 2.37 0.00 42 M 9.00 3.96 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 43 A 7.97 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 3.78 4.42 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 0.00 0.00 0.00 1.21 0.00 0.00 45 T 7.87 3.96 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 46 L 8.26 4.15 0.00 1.68 1.71 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.83 3.99 1.37 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 48 A 7.73 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.76 4.18 0.00 1.91 1.66 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.20 4.70 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 1.21 0.00 0.00 51 L 8.45 3.90 0.00 1.71 1.82 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.27 0.00 2.17 2.11 0.00 3.56 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 2.12 2.20 0.00 53 Q 7.74 4.05 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 54 M 8.51 4.09 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 55 V 8.07 3.88 2.31 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 1.21 0.00 0.00 1.11 0.00 0.00 56 K 7.54 4.02 0.00 1.92 1.87 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 57 L 7.58 4.15 0.00 1.82 1.76 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.36 4.21 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.48 0.00 2.23 1.94 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 2.28 2.14 0.00 60 T 7.26 4.72 4.26 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 1.36 0.00 0.00 61 N 8.69 4.95 0.00 2.86 2.87 0.00 0.00 5.78 7.39 0.00 0.00 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 Q 7.25 4.72 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 63 L 8.24 4.22 0.00 1.59 1.51 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.05 4.09 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 0.72 0.00 0.00 0.84 0.00 0.00 65 C 7.21 4.51 0.00 2.44 1.55 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.26 4.69 0.00 3.12 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.58 4.60 0.00 2.89 3.02 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 68 R 7.82 3.33 0.00 1.38 0.95 0.00 2.58 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.30 0.00 69 F 6.09 4.50 0.00 2.69 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 70 D 8.14 3.77 0.00 2.71 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 71 S 6.69 3.74 0.00 3.87 3.75 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 72 H 8.73 4.23 0.00 3.31 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.10 4.05 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 74 T 7.96 4.16 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 75 I 7.66 3.91 2.17 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.18 1.03 0.00 0.00 76 T 7.44 3.90 4.43 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 1.21 0.00 0.00 77 Q 7.96 4.09 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 78 L 7.41 4.29 0.00 1.39 1.25 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00