NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 L 4.1559 8.1844 120.9863 55.2711 41.7575 177.5499 21 K 3.7787 7.8503 120.2272 55.2498 32.2474 174.0717 22 T 4.5437 7.8757 116.3576 61.3472 71.2410 172.9927 23 E 5.0902 7.0194 118.7995 54.6585 33.0436 175.2610 24 W 5.2447 9.2544 119.7506 53.0183 28.7426 174.1357 25 P 4.3269 0.0000 0.0000 65.5444 31.3279 179.4958 26 E 4.0206 8.3211 116.4409 58.5880 29.6250 178.3663 27 L 4.2123 8.0213 118.9471 55.8174 42.2625 177.0273 28 V 3.8513 7.2015 119.0772 64.6043 31.6807 175.8257 29 G 4.0619 9.1299 116.0597 45.4114 0.0000 174.1230 30 K 4.2291 8.0423 119.4361 55.8830 32.8414 176.7671 31 S 4.8908 8.8669 116.5590 57.7128 65.1555 175.5327 32 V 3.5227 8.0973 122.5123 66.3303 31.2362 178.0700 33 E 3.9102 8.1553 116.6141 59.5915 29.1000 178.8406 34 E 3.9929 8.0441 118.7685 58.9084 29.5685 178.9089 35 A 3.9119 8.0817 120.9288 55.3619 18.4661 179.6041 36 K 3.6899 8.0717 116.8136 59.7366 31.9531 179.7160 37 K 3.9495 7.6259 117.0765 59.2899 32.0059 179.6464 38 V 3.5896 7.4847 118.4421 66.0209 31.4130 177.8923 39 I 3.1516 7.4823 119.3945 64.4800 37.0549 178.3784 40 L 3.6246 7.8621 119.4139 57.8384 41.1288 179.6479 41 Q 3.9845 7.5546 118.9762 59.2564 29.1206 177.4473 42 D 4.8339 8.0732 118.7728 55.6812 42.4472 176.7978 43 K 4.6503 9.0600 121.3208 53.4623 32.5302 174.1613 44 P 4.7611 0.0000 0.0000 64.0915 31.6730 177.1532 45 E 4.2734 8.0748 112.9398 56.0790 30.1154 176.2005 46 A 4.2459 7.7424 122.3482 52.9548 19.3005 177.7488 47 Q 4.4092 9.3407 121.6169 54.2523 30.2363 174.7500 48 I 4.5203 8.0371 124.8692 60.5859 38.6826 175.5214 49 I 4.4939 8.3615 125.6210 59.2867 41.4651 173.6519 50 V 4.6232 8.3381 128.9455 61.3582 32.9003 174.6625 51 L 4.9793 8.6929 127.1528 51.8608 46.2703 174.0773 52 P 4.9085 0.0000 0.0000 62.6271 31.9390 176.6783 53 V 3.8771 8.6675 123.2173 62.3975 32.3765 175.6367 54 G 3.8395 8.7159 108.2128 46.9934 0.0000 173.5295 55 T 4.6724 7.8439 107.8275 59.3345 71.4410 173.2752 56 I 4.2966 8.0426 122.9393 60.4085 38.3915 175.7053 57 V 4.6580 7.9261 116.3855 59.1365 35.5952 175.4679 58 T 4.1026 8.3933 111.1492 62.5337 69.0040 174.0624 59 M 4.6688 8.4083 122.2399 55.1976 32.7836 175.9056 60 E 4.4397 8.1294 115.9679 55.3942 31.3023 174.5676 61 Y 4.5302 8.5083 122.0484 55.9901 40.1295 174.9778 62 R 4.4147 7.7319 126.3074 54.0273 31.8477 176.4654 63 I 3.4324 8.3356 124.1412 63.3178 38.2407 176.0335 64 D 4.7667 7.8738 117.5756 53.8280 41.7023 175.3767 65 R 4.7218 7.5016 120.9906 55.5927 32.0226 175.5479 66 V 4.5747 8.5315 124.5176 61.1894 34.3705 174.3013 67 R 4.5657 8.6384 127.6089 55.4683 31.3127 176.0258 68 L 4.5773 8.7714 124.2518 52.9996 44.2429 175.3629 69 F 5.0910 8.7891 123.2286 56.2183 40.6760 175.4949 70 V 5.0935 8.6968 117.2365 59.5165 35.4479 175.6188 71 D 5.0220 8.4552 122.8251 51.9257 41.0384 177.3543 72 K 4.0316 8.5449 117.6331 58.6188 31.8884 177.8232 73 L 4.4060 8.1960 117.5865 54.0238 42.5010 176.0663 74 D 4.5101 8.2606 118.3637 55.6027 38.6250 173.0131 75 N 5.3091 8.0377 114.8414 50.9951 41.1776 174.6890 76 I 4.0803 8.8155 123.0534 62.0013 37.4570 176.7409 77 A 4.5930 9.2849 128.0592 52.3991 20.1178 176.3115 78 E 4.7181 7.8031 113.2784 54.0110 33.6535 175.0759 79 V 3.7877 8.3866 121.1150 62.7802 32.1847 174.0375 80 P 4.7951 0.0000 0.0000 62.8370 32.3178 175.6817 81 R 5.4808 8.5348 119.0777 54.6077 32.5958 174.8838 82 V 3.9947 8.6609 121.3762 62.9456 32.4562 176.3548 83 G 3.0218 8.1205 114.8934 45.0901 0.0000 173.0744 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 20 L 8.18 4.16 0.00 1.73 1.81 0.89 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.85 3.78 0.00 1.65 1.62 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.20 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.33 0.85 7.81 22 T 7.88 4.54 4.24 0.00 0.00 0.00 0.00 0.00 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 23 E 7.02 5.09 0.00 1.92 2.05 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 2.09 2.20 0.00 24 W 9.25 5.24 0.00 3.32 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 25 P 0.00 4.33 0.00 2.24 2.34 0.00 3.75 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 2.08 1.95 0.00 26 E 8.32 4.02 0.00 2.19 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 0.00 2.49 2.38 0.00 27 L 8.02 4.21 0.00 2.04 1.78 0.85 0.75 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 28 V 7.20 3.85 2.12 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 0.76 0.00 0.00 0.99 0.00 0.00 29 G 9.13 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.04 4.23 0.00 2.20 1.74 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.43 7.81 31 S 8.87 4.89 0.00 4.14 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 32 V 8.10 3.52 2.05 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 1.06 0.00 0.00 0.96 0.00 0.00 33 E 8.16 3.91 0.00 2.17 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 2.35 2.34 0.00 34 E 8.04 3.99 0.00 2.01 2.03 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 2.32 2.51 0.00 35 A 8.08 3.91 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 36 K 8.07 3.69 0.00 1.90 1.81 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.48 7.81 37 K 7.63 3.95 0.00 1.97 1.83 0.00 1.91 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 38 V 7.48 3.59 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 1.25 0.00 0.00 1.00 0.00 0.00 39 I 7.48 3.15 1.47 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.21 0.00 0.00 40 L 7.86 3.62 0.00 1.69 1.70 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.55 3.98 0.00 2.19 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 42 D 8.07 4.83 0.00 3.39 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 43 K 9.06 4.65 0.00 1.99 1.75 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.51 7.81 44 P 0.00 4.76 0.00 2.09 2.12 0.00 3.81 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 45 E 8.07 4.27 0.00 2.07 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 0.00 2.26 2.32 0.00 46 A 7.74 4.25 1.20 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 0.00 0.00 47 Q 9.34 4.41 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 48 I 8.04 4.52 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.34 0.78 0.00 0.00 49 I 8.36 4.49 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.14 0.78 0.00 0.00 50 V 8.34 4.62 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 0.78 0.00 0.00 0.84 0.00 0.00 51 L 8.69 4.98 0.00 0.98 1.38 0.71 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.91 0.00 2.12 2.08 0.00 3.79 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 2.03 1.98 0.00 53 V 8.67 3.88 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 0.70 0.00 0.00 0.97 0.00 0.00 54 G 8.72 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 55 T 7.84 4.67 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 56 I 8.04 4.30 1.89 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 0.86 0.93 0.00 0.00 57 V 7.93 4.66 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 1.01 0.00 0.00 1.05 0.00 0.00 58 T 8.39 4.10 4.27 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 1.23 0.00 0.00 59 M 8.41 4.67 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 60 E 8.13 4.44 0.00 2.12 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 2.26 2.25 0.00 61 Y 8.51 4.53 0.00 2.92 2.91 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 62 R 7.73 4.41 0.00 1.75 1.71 0.00 3.15 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 63 I 8.34 3.43 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.92 0.00 0.00 64 D 7.87 4.77 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.72 0.00 1.80 1.94 0.00 2.98 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 66 V 8.53 4.57 1.88 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 0.74 0.00 0.00 0.85 0.00 0.00 67 R 8.64 4.57 0.00 1.76 1.32 0.00 3.26 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 68 L 8.77 4.58 0.00 1.35 1.47 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.79 5.09 0.00 3.09 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 70 V 8.70 5.09 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 0.76 0.00 0.00 0.99 0.00 0.00 71 D 8.46 5.02 0.00 2.93 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 72 K 8.54 4.03 0.00 1.77 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.42 7.81 73 L 8.20 4.41 0.00 1.92 1.70 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.26 4.51 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 5.31 0.00 3.02 2.80 0.00 0.00 7.00 7.45 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 76 I 8.82 4.08 2.06 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 1.43 1.01 0.99 0.00 0.00 77 A 9.28 4.59 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.72 0.00 2.01 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 2.18 2.32 0.00 79 V 8.39 3.79 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 0.89 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.80 0.00 2.27 1.97 0.00 3.93 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 81 R 8.53 5.48 0.00 2.04 1.98 0.00 3.10 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 82 V 8.66 3.99 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 0.75 0.00 0.00 1.24 0.00 0.00 83 G 8.12 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 0.00 0.00 0.00