NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3511 8.3049 120.3487 55.1670 33.1562 175.4672 2 K 4.1595 8.4503 126.0405 54.8218 33.4969 174.0897 3 Q 4.3633 8.3846 119.9579 54.3395 31.9865 174.0394 4 R 4.1428 8.6959 126.4614 55.5358 30.3864 175.1199 5 I 4.4256 8.2688 119.2363 59.1394 39.3082 174.7710 6 T 4.3663 8.3246 119.2441 59.8404 69.8547 173.2057 7 V 4.0523 8.0904 128.8132 60.1425 31.7629 176.9704 8 T 4.2624 8.1208 119.4026 61.3283 67.4110 174.6513 9 V 4.2790 8.0470 129.3576 61.6941 31.6687 175.5505 10 D 5.4119 8.4528 121.8985 54.6077 38.4416 177.1819 11 S 4.3608 8.0822 119.7356 60.0087 64.6293 174.2962 12 D 4.5813 7.9009 122.4637 53.7462 39.6795 178.0585 13 S 3.8432 7.9615 115.3511 60.2179 62.9587 173.7012 14 Y 4.1738 8.0775 121.2350 61.0834 38.2764 178.0458 15 Q 3.0067 7.7445 118.3909 58.8775 28.6011 179.2063 16 L 3.4220 6.9974 117.8558 57.7415 41.8968 179.2919 17 L 3.7557 7.2466 118.4191 57.7276 41.3126 179.8454 18 K 4.0587 7.5221 117.6935 59.5851 32.4596 178.6614 19 A 3.6791 7.9624 122.0713 54.5995 18.1474 178.8229 20 Y 4.6085 7.2588 114.9501 58.6065 38.5749 177.8754 21 D 5.7560 6.6329 131.4304 53.5178 42.5586 177.9509 22 V 4.1902 6.9676 121.4067 62.0239 31.8907 173.9675 23 N 4.3640 8.7937 120.4355 53.8485 38.1390 177.3525 24 I 3.3680 8.1588 111.8901 61.4544 37.5371 175.4639 25 S 4.2363 7.6848 116.7451 62.4422 62.4846 176.9752 26 G 3.5279 7.9990 109.4306 46.7265 0.0000 174.8961 27 L 3.9410 7.9549 122.2649 58.5006 42.2722 178.4035 28 V 3.5174 8.7137 116.7919 67.3811 31.4218 177.9440 29 S 4.2602 8.1391 113.3725 61.7745 62.7872 177.0668 30 T 3.8067 7.5403 118.0338 66.8153 68.5531 176.1881 31 T 4.0353 8.8387 118.6344 67.1147 68.0310 176.0696 32 M 3.9801 8.5430 120.6122 58.8493 31.9896 178.4066 33 Q 4.1911 8.0009 119.1479 59.4033 28.9153 178.5087 34 N 4.2612 8.2411 117.8047 56.7806 39.1172 176.4961 35 E 3.9894 8.1724 119.1413 58.2341 29.6407 177.7670 36 A 4.1541 8.9528 120.3542 54.2641 18.9339 179.4015 37 R 4.0794 7.9258 116.5742 59.4053 30.4949 178.8349 38 R 4.0755 8.5654 116.4877 58.0341 31.3784 178.6705 39 L 3.5537 7.4810 113.7075 56.5015 37.6536 174.8062 40 R 4.1033 8.1810 124.1824 56.3444 30.9581 176.6262 41 A 4.7825 7.2331 123.4266 51.7203 20.8574 175.7041 42 E 4.1331 8.6008 123.0984 56.1306 30.3754 177.3549 43 R 4.3098 8.3225 124.0261 54.1976 29.0333 175.2256 44 W 4.2264 8.9113 121.7982 56.9670 29.2543 176.5575 45 K 4.2473 8.5970 124.1548 55.6224 31.5174 177.4457 46 V 4.0279 8.2024 123.8344 60.9182 32.7817 175.4261 47 E 4.6554 8.1719 121.7628 55.7039 31.9972 175.4033 48 N 4.9395 9.0636 114.6542 51.7203 40.0648 174.8065 49 Q 4.4465 7.8658 115.8723 54.5902 30.5913 175.4080 50 E 4.3204 8.5676 122.4590 56.0721 30.9228 176.2308 51 G 4.2791 9.0274 110.0270 45.0982 0.0000 172.5520 52 M 4.8845 7.6790 116.7665 53.4939 35.8017 175.9192 53 V 4.3409 7.8663 118.3579 60.9571 33.9342 172.4190 54 E 4.5781 8.3978 121.8356 54.5109 31.3744 173.8474 55 V 3.9147 8.0993 118.2283 59.0121 33.7356 173.5452 56 A 3.4180 8.0510 135.0000 52.3022 15.7885 176.5680 57 R 4.3119 7.3564 117.4035 55.2234 34.2586 176.0241 58 F 4.7658 8.3724 110.5403 57.0425 39.1196 174.2031 59 I 4.5444 7.9157 135.0000 60.7307 35.4820 176.7542 60 E 4.5755 8.4581 131.1434 56.9609 31.9428 174.3604 61 M 4.5589 9.4490 119.9798 54.3617 31.9893 173.7811 62 N 5.0451 8.5800 121.5001 51.4852 41.3367 174.3761 63 G 4.2553 8.3149 108.8893 44.1943 0.0000 170.9964 64 S 4.9404 8.3684 113.5580 56.3432 65.5367 172.4492 65 F 4.7521 8.4797 117.2847 55.9131 42.6935 173.8064 66 A 4.7520 7.9341 122.8565 50.8368 21.2668 174.4831 67 D 4.3893 8.0422 118.3754 51.5132 42.0442 180.5057 68 E 3.8465 7.9446 124.3475 56.2570 31.4743 172.4469 69 N 4.1004 8.2569 126.3617 53.2770 43.4147 174.0858 70 K 4.2845 5.6600 124.2374 55.4060 36.7833 171.3932 71 D 4.2315 8.8061 119.5896 54.4576 38.4369 172.8975 72 W 3.7001 8.2978 131.5273 57.2447 31.5429 173.7019 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 1 M 8.30 4.35 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.45 4.16 0.00 1.87 1.76 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.43 7.81 3 Q 8.38 4.36 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 4 R 8.70 4.14 0.00 1.80 1.82 0.00 3.23 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 5 I 8.27 4.43 1.86 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 1.29 0.81 0.94 0.00 0.00 6 T 8.32 4.37 4.18 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 0.00 0.00 1.18 0.00 0.00 7 V 8.09 4.05 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 0.71 0.00 0.00 0.86 0.00 0.00 8 T 8.12 4.26 4.19 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 1.16 0.00 0.00 9 V 8.05 4.28 2.01 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 0.68 0.00 0.00 0.98 0.00 0.00 10 D 8.45 5.41 0.00 2.94 2.66 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 0.00 0.00 0.00 11 S 8.08 4.36 0.00 3.92 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 12 D 7.90 4.58 0.00 2.78 2.62 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 13 S 7.96 3.84 0.00 4.11 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 14 Y 8.08 4.17 0.00 3.03 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 15 Q 7.74 3.01 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 16 L 7.00 3.42 0.00 1.60 1.40 0.98 0.80 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 17 L 7.25 3.76 0.00 1.64 1.74 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.52 4.06 0.00 1.87 2.05 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.28 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.90 1.29 7.81 19 A 7.96 3.68 1.10 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 0.00 0.00 20 Y 7.26 4.61 0.00 3.07 2.88 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 21 D 6.63 5.76 0.00 2.93 2.84 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 22 V 6.97 4.19 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 0.96 0.00 0.00 0.98 0.00 0.00 23 N 8.79 4.36 0.00 2.80 2.94 0.00 0.00 6.82 7.35 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 24 I 8.16 3.37 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.95 0.00 0.00 25 S 7.68 4.24 0.00 4.05 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 26 G 8.00 3.53 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 0.00 0.00 0.00 27 L 7.95 3.94 0.00 1.79 1.83 0.95 0.90 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 28 V 8.71 3.52 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 1.09 0.00 0.00 0.99 0.00 0.00 29 S 8.14 4.26 0.00 3.93 4.12 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 30 T 7.54 3.81 4.59 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 1.22 0.00 0.00 31 T 8.84 4.04 4.38 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 1.23 0.00 0.00 32 M 8.54 3.98 0.00 2.01 2.34 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 2.79 2.58 0.00 33 Q 8.00 4.19 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 34 N 8.24 4.26 0.00 2.89 2.81 0.00 0.00 6.83 7.18 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 35 E 8.17 3.99 0.00 2.13 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 2.39 2.45 0.00 36 A 8.95 4.15 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 37 R 7.93 4.08 0.00 2.10 2.00 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.04 0.00 38 R 8.57 4.08 0.00 1.82 1.98 0.00 3.17 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 39 L 7.48 3.55 0.00 1.69 1.97 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.18 4.10 0.00 1.77 1.94 0.00 3.53 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 41 A 7.23 4.78 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 42 E 8.60 4.13 0.00 2.00 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 2.37 2.53 0.00 43 R 8.32 4.31 0.00 1.90 1.96 0.00 3.49 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 44 W 8.91 4.23 0.00 3.20 3.24 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 0.00 45 K 8.60 4.25 0.00 1.72 1.77 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 46 V 8.20 4.03 2.15 0.00 0.00 0.00 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 0.98 0.00 0.00 47 E 8.17 4.66 0.00 1.93 1.92 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 2.20 2.24 0.00 48 N 9.06 4.94 0.00 2.67 2.73 0.00 0.00 6.95 6.28 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 49 Q 7.87 4.45 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 50 E 8.57 4.32 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 51 G 9.03 4.28 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 0.00 0.00 0.00 52 M 7.68 4.88 0.00 1.96 2.34 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 53 V 7.87 4.34 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 0.55 0.00 0.00 0.92 0.00 0.00 54 E 8.40 4.58 0.00 1.90 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 2.17 2.18 0.00 55 V 8.10 3.91 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 0.87 0.00 0.00 0.90 0.00 0.00 56 A 8.05 3.42 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 4.31 0.00 1.62 1.72 0.00 3.31 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 58 F 8.37 4.77 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 4.54 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.94 0.00 0.00 60 E 8.46 4.58 0.00 1.88 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 2.19 2.20 0.00 61 M 9.45 4.56 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 62 N 8.58 5.05 0.00 2.71 2.76 0.00 0.00 6.86 7.99 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 63 G 8.31 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 0.00 0.00 0.00 0.00 64 S 8.37 4.94 0.00 4.02 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 65 F 8.48 4.75 0.00 2.91 3.01 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 66 A 7.93 4.75 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 67 D 8.04 4.39 0.00 2.68 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 68 E 7.94 3.85 0.00 2.09 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 2.18 2.27 0.00 69 N 8.26 4.10 0.00 2.70 2.47 0.00 0.00 7.04 6.19 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 70 K 5.66 4.28 0.00 1.82 1.78 0.00 2.06 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.35 7.81 71 D 8.81 4.23 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.30 3.70 0.00 3.68 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