NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 P 4.2055 0.0000 0.0000 60.9586 33.7864 173.0363 22 D 4.2034 8.1172 122.3887 52.0048 38.5681 172.2361 23 W 4.4240 9.2478 125.9311 59.0303 29.3184 178.0742 24 R 3.1349 6.8314 118.6775 58.8348 29.4617 178.3412 25 Q 4.1272 7.7243 120.7009 58.4649 28.8585 178.0195 26 F 4.1563 8.1184 121.0791 61.6788 39.3605 176.9484 27 C 4.0885 8.2957 116.0223 62.8867 28.0711 175.8658 28 E 3.8843 8.5235 120.4473 59.5326 29.1744 179.5704 29 L 4.0267 8.1728 119.2591 58.1245 41.6694 179.3521 30 H 4.2236 7.7776 115.9449 58.5283 28.5215 177.7423 31 A 3.9936 8.1789 122.9782 54.8783 18.0656 179.4970 32 Q 3.7927 8.2476 118.0298 59.3492 29.3246 178.3234 33 A 3.9404 7.8587 121.2656 55.0462 18.3795 179.5005 34 A 3.9517 8.1386 119.0191 55.3318 18.4468 179.7593 35 A 3.9328 8.3141 119.7509 55.0970 17.8902 180.0504 36 V 3.3755 7.9891 116.9882 66.1446 31.6282 177.7459 37 D 4.2613 7.8976 117.4701 57.3782 41.0961 178.0094 38 F 4.1659 8.4207 120.9700 61.1623 39.3857 176.7498 39 A 3.7764 8.1952 120.8111 55.4284 18.0245 179.4864 40 H 4.2141 7.6647 113.8520 59.0718 28.8921 178.1904 41 K 3.9871 7.7272 119.8555 59.0930 31.7739 179.2712 42 F 3.7285 8.0391 121.2975 61.4962 39.4540 177.0436 43 C 4.0543 8.0916 116.2951 62.7070 27.9586 176.2389 44 R 3.8731 8.0631 120.4516 59.2643 29.6808 178.3597 45 F 4.1213 8.1612 120.5222 61.3459 39.1839 177.1761 46 L 3.9539 7.9128 118.4458 57.4637 41.1170 179.5363 47 R 4.0365 7.5900 117.0385 58.6872 30.1273 177.9957 48 D 4.5710 7.7047 117.1418 55.0461 42.5703 176.4986 49 N 4.8179 7.5664 116.5669 49.9290 39.0520 173.0574 50 P 4.2555 0.0000 0.0000 64.4950 31.7630 179.3443 51 A 3.9353 7.7080 120.6226 54.5245 18.3132 177.4068 52 Y 4.7325 7.6570 111.8062 58.5233 38.9559 176.3470 53 D 4.6306 7.7078 121.6631 53.2924 39.3155 174.2456 54 T 4.6934 7.3844 113.2244 58.6229 71.9913 174.4126 55 P 4.3392 0.0000 0.0000 64.8414 31.5930 177.2828 56 D 4.8452 7.9944 116.4317 54.0274 41.4720 177.9471 57 A 4.2721 8.1563 123.8860 55.4419 18.2936 180.4190 58 G 3.5963 8.4522 103.4834 48.0350 0.0000 175.4996 59 A 4.0471 8.0610 122.6485 54.7915 18.5446 179.5409 60 S 4.0495 8.4128 111.7248 61.5301 62.5972 175.9451 61 F 4.1946 8.6749 123.6822 61.6907 39.0368 177.0527 62 S 3.9495 8.5104 114.8645 61.6669 62.5213 177.1098 63 R 3.8536 7.8430 120.1126 59.6515 29.8475 178.7445 64 H 4.0658 7.9204 115.7060 58.7054 28.6598 177.6186 65 F 3.7086 8.2049 122.4041 61.0626 39.0076 176.7474 66 A 3.9228 8.2720 120.4002 55.4247 18.0587 179.2481 67 A 3.9582 7.7025 118.6232 55.4406 18.4256 179.5175 68 N 4.1881 8.2900 114.2979 56.1661 38.6335 177.4375 69 F 3.6450 8.1946 122.2832 61.3316 39.2931 177.3214 70 L 3.9868 7.6487 118.3276 57.5887 41.2814 179.3842 71 D 4.2871 7.8294 118.8440 57.3201 40.8471 178.9386 72 V 3.7430 7.8145 120.3459 65.1384 31.3732 177.6093 73 F 3.8467 8.0555 120.7004 61.3699 39.0384 177.3450 74 G 3.6208 7.9644 104.8583 47.9281 0.0000 175.4235 75 E 3.9589 7.9441 120.3958 58.9244 29.4607 178.9568 76 E 3.9002 8.3936 119.9200 59.0063 29.4510 178.7681 77 V 3.3078 7.2681 117.3952 66.2069 31.6852 178.1509 78 R 3.9672 7.4270 115.7400 58.2952 29.6639 178.1588 79 R 4.1898 7.4183 118.4481 58.0347 30.2581 177.9236 80 V 3.8664 7.7063 117.0333 64.0082 32.1618 176.5018 81 L 4.1202 7.0620 117.7575 55.8777 39.4770 177.4216 82 V 3.7989 8.2946 121.5567 61.1407 30.7323 171.0337 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 21 P 0.00 4.21 0.00 2.09 2.20 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 22 D 8.12 4.20 0.00 3.02 2.72 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 0.00 0.00 0.00 0.00 23 W 9.25 4.42 0.00 3.71 3.33 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 24 R 6.83 3.13 0.00 1.37 1.72 0.00 2.76 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 25 Q 7.72 4.13 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 26 F 8.12 4.16 0.00 3.27 3.35 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 27 C 8.30 4.09 0.00 3.25 3.03 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 28 E 8.52 3.88 0.00 2.01 1.93 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 2.25 2.37 0.00 29 L 8.17 4.03 0.00 1.43 1.58 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.78 4.22 0.00 2.86 3.21 0.00 5.62 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 31 A 8.18 3.99 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 32 Q 8.25 3.79 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 33 A 7.86 3.94 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 34 A 8.14 3.95 1.43 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 0.00 0.00 35 A 8.31 3.93 1.29 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 0.00 0.00 36 V 7.99 3.38 2.22 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 0.89 0.00 0.00 0.94 0.00 0.00 37 D 7.90 4.26 0.00 2.89 2.83 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 38 F 8.42 4.17 0.00 3.17 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 3.78 1.25 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 0.00 0.00 40 H 7.66 4.21 0.00 3.34 3.30 0.00 5.65 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 41 K 7.73 3.99 0.00 1.75 1.84 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.50 1.62 7.81 42 F 8.04 3.73 0.00 1.91 2.81 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 0.00 0.00 0.00 43 C 8.09 4.05 0.00 3.15 2.95 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 0.00 0.00 0.00 0.00 44 R 8.06 3.87 0.00 1.95 2.13 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 45 F 8.16 4.12 0.00 3.18 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 46 L 7.91 3.95 0.00 1.57 1.58 0.65 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.59 4.04 0.00 1.90 1.93 0.00 3.12 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 48 D 7.70 4.57 0.00 2.51 2.61 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 0.00 0.00 0.00 0.00 49 N 7.57 4.82 0.00 2.33 2.37 0.00 0.00 6.55 7.88 0.00 0.00 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 P 0.00 4.26 0.00 2.14 2.26 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 51 A 7.71 3.94 0.97 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 0.00 0.00 52 Y 7.66 4.73 0.00 3.08 2.95 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 0.00 0.00 0.00 0.00 53 D 7.71 4.63 0.00 2.62 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 54 T 7.38 4.69 4.30 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 1.28 0.00 0.00 55 P 0.00 4.34 0.00 2.10 2.19 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 56 D 7.99 4.85 0.00 2.76 2.72 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 0.00 0.00 0.00 0.00 57 A 8.16 4.27 1.59 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 0.00 0.00 58 G 8.45 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 59 A 8.06 4.05 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 60 S 8.41 4.05 0.00 4.02 4.20 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 0.00 0.00 0.00 0.00 61 F 8.67 4.19 0.00 3.37 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 62 S 8.51 3.95 0.00 4.04 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.85 0.00 1.98 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 64 H 7.92 4.07 0.00 3.23 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.20 3.71 0.00 1.91 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 66 A 8.27 3.92 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 67 A 7.70 3.96 1.30 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 0.00 0.00 68 N 8.29 4.19 0.00 2.82 2.79 0.00 0.00 6.78 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 69 F 8.19 3.65 0.00 1.89 2.48 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 70 L 7.65 3.99 0.00 1.70 1.71 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.83 4.29 0.00 2.82 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 72 V 7.81 3.74 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.88 0.00 0.00 73 F 8.06 3.85 0.00 2.62 2.95 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 0.00 0.00 0.00 0.00 74 G 7.96 3.62 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 0.00 0.00 0.00 75 E 7.94 3.96 0.00 1.93 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 2.55 0.00 76 E 8.39 3.90 0.00 1.97 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 0.00 2.19 2.21 0.00 77 V 7.27 3.31 1.74 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 0.73 0.00 0.00 0.01 0.00 0.00 78 R 7.43 3.97 0.00 1.70 1.93 0.00 3.16 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 79 R 7.42 4.19 0.00 1.86 2.04 0.00 3.05 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 80 V 7.71 3.87 2.11 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 0.85 0.00 0.00 0.90 0.00 0.00 81 L 7.06 4.12 0.00 1.65 1.61 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.29 3.80 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 0.59 0.00 0.00 0.92 0.00 0.00