NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9878 8.3393 109.7337 46.0417 0.0000 173.9326 0 S 4.4332 8.4524 112.4404 57.6026 64.6196 170.2241 1 E 4.7574 8.0752 119.5084 54.1943 33.2431 176.6839 2 Q 4.1891 8.7013 122.1880 57.4975 29.6690 176.4258 3 T 4.5474 9.1992 114.6582 62.8288 71.4361 173.8133 4 H 5.4809 8.1559 116.7402 53.8636 34.0099 172.2173 5 R 5.0431 9.0760 120.2606 54.4067 32.9757 174.6082 6 A 4.6580 8.6367 128.5803 51.9536 19.3105 177.6168 7 I 4.2770 8.5676 114.4420 60.5446 38.9474 175.5832 8 F 5.1393 7.5615 120.1374 55.6270 42.9206 174.3169 9 R 4.4683 8.8531 122.1844 56.3878 31.1521 175.4942 10 F 5.0080 9.4032 127.5683 56.6886 42.5290 173.4844 11 V 4.2723 8.0779 126.9766 60.3128 32.2285 173.7162 12 P 4.1430 0.0000 0.0000 63.2392 31.6488 176.4881 13 R 4.4741 9.2948 118.6420 55.8056 32.6020 175.6167 14 H 5.0583 7.9586 114.3649 53.4132 31.9995 174.4460 15 E 4.0118 8.9147 121.9519 59.4287 29.5664 177.8671 16 D 4.6565 8.0292 115.9457 53.7733 40.1732 175.6253 17 E 5.0585 7.8915 119.7164 56.1801 30.7966 175.6001 18 L 4.6824 9.0228 125.5641 53.5262 43.2484 175.8508 19 E 4.4476 8.9092 127.9026 56.3276 30.5310 175.6769 20 L 5.1249 9.1302 125.3965 53.0427 46.2337 175.2703 21 E 5.0008 9.0180 120.7576 54.0048 33.3319 175.8905 22 V 3.8135 8.4329 122.0302 65.0305 31.8378 176.0917 23 D 4.6812 9.1321 125.1587 54.2016 39.5035 174.2514 24 D 4.5551 7.9476 120.8561 53.9435 41.9434 173.8344 25 P 4.7601 0.0000 0.0000 62.4343 32.2668 175.3934 26 L 4.9688 9.0518 124.8556 52.7421 45.4045 175.5810 27 L 4.7807 8.8133 124.9540 53.1978 43.1771 174.3847 28 V 4.2776 8.9453 125.9775 62.7429 31.3971 175.2792 29 E 4.5211 9.0711 127.5744 56.8702 30.9447 176.2653 30 L 4.2998 7.5321 121.3962 54.0443 45.7572 174.0042 31 Q 4.6121 8.5344 125.7525 53.7737 28.6861 175.3561 32 A 4.2003 8.5863 127.0736 51.7355 19.1709 178.5018 33 E 3.9313 8.5033 118.5485 58.2306 29.7848 177.6713 34 D 4.6207 7.8680 117.3126 52.8915 39.8600 175.6242 35 Y 3.6337 7.0884 114.5408 59.7683 35.9751 169.0019 36 W 5.0115 8.1920 117.3430 55.0617 33.3675 174.3654 37 Y 5.2368 8.3266 120.4873 56.2405 40.6863 174.1317 38 E 5.1672 9.0210 123.8620 54.6355 32.0497 174.6660 39 A 5.2790 9.4405 127.5966 51.2090 23.7974 173.5486 40 Y 5.0739 8.9506 120.3142 56.3155 41.2309 175.2600 41 N 4.4156 8.7124 126.2193 54.3335 41.5207 175.8319 43 R 3.1351 8.4009 113.3886 59.0958 31.3160 177.5424 44 T 4.0155 7.8657 109.4352 61.9669 69.3084 175.9423 45 G 3.7501 8.3093 109.3888 44.6846 0.0000 172.9036 46 A 4.7507 7.3832 121.1729 50.5820 21.3356 176.7689 47 R 5.1365 8.5137 117.4649 54.3259 33.7038 175.8423 48 G 4.0972 7.9631 107.2853 46.9212 0.0000 171.7963 49 V 5.8248 8.2858 112.3742 59.2283 35.0929 175.2482 50 F 5.1722 8.1130 115.5446 55.0902 41.3602 171.7195 51 P 3.2716 0.0000 0.0000 62.1761 31.5259 177.1503 52 A 2.5800 8.0505 127.0279 55.3335 18.0848 178.5268 53 Y 4.4183 7.5370 109.4216 59.3872 38.1798 175.9374 54 Y 4.2772 8.5840 118.1425 59.0314 38.4454 174.7303 55 A 5.3648 7.9056 121.2843 50.0451 22.6101 175.4747 56 I 4.7425 8.6034 113.6798 58.6916 41.0158 174.9995 57 E 4.3012 8.7580 123.0612 56.4345 29.9919 177.4109 58 V 3.8133 8.1603 116.5408 61.6575 32.6884 176.6316 59 T 4.2180 8.3426 120.6700 62.1660 68.1463 175.2730 60 K 4.1498 8.5334 125.0912 57.0532 32.5866 176.9354 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 G 8.34 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.45 4.43 0.00 4.00 3.86 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 0.00 0.00 0.00 1 E 8.08 4.76 0.00 1.95 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 0.00 2.20 2.25 0.00 2 Q 8.70 4.19 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 3 T 9.20 4.55 4.31 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 1.29 0.00 0.00 4 H 8.16 5.48 0.00 3.23 3.38 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.08 5.04 0.00 1.80 1.72 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 6 A 8.64 4.66 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 7 I 8.57 4.28 1.30 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.70 0.00 0.00 8 F 7.56 5.14 0.00 2.32 2.57 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 9 R 8.85 4.47 0.00 1.91 1.94 0.00 3.22 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 10 F 9.40 5.01 0.00 3.12 2.89 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 0.00 0.00 0.00 11 V 8.08 4.27 1.95 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 0.77 0.00 0.00 0.90 0.00 0.00 12 P 0.00 4.14 0.00 1.99 1.95 0.00 3.53 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 13 R 9.29 4.47 0.00 1.51 1.65 0.00 3.07 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 14 H 7.96 5.06 0.00 3.32 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.91 4.01 0.00 1.96 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 2.32 0.00 16 D 8.03 4.66 0.00 2.80 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 17 E 7.89 5.06 0.00 2.16 2.34 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 2.80 2.45 0.00 18 L 9.02 4.68 0.00 1.73 1.94 1.02 0.98 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 19 E 8.91 4.45 0.00 2.01 1.84 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 2.29 2.52 0.00 20 L 9.13 5.12 0.00 1.71 1.47 0.32 0.32 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 21 E 9.02 5.00 0.00 2.16 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 22 V 8.43 3.81 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 0.75 0.00 0.00 0.98 0.00 0.00 23 D 9.13 4.68 0.00 2.83 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 24 D 7.95 4.56 0.00 2.74 2.55 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 25 P 0.00 4.76 0.00 2.10 2.08 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 26 L 9.05 4.97 0.00 1.71 1.71 0.74 0.49 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 27 L 8.81 4.78 0.00 1.91 1.76 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.95 4.28 1.90 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 0.30 0.00 0.00 0.85 0.00 0.00 29 E 9.07 4.52 0.00 1.89 1.97 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 2.29 2.48 0.00 30 L 7.53 4.30 0.00 1.69 1.42 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.53 4.61 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 32 A 8.59 4.20 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 33 E 8.50 3.93 0.00 1.88 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 0.00 2.25 2.18 0.00 34 D 7.87 4.62 0.00 2.91 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 35 Y 7.09 3.63 0.00 3.31 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 36 W 8.19 5.01 0.00 3.26 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 37 Y 8.33 5.24 0.00 1.50 2.30 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 38 E 9.02 5.17 0.00 2.02 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 2.27 2.28 0.00 39 A 9.44 5.28 1.53 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 40 Y 8.95 5.07 0.00 3.11 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 41 N 8.71 4.42 0.00 2.67 2.50 0.00 0.00 6.64 7.53 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 43 R 8.40 3.14 0.00 1.86 2.19 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 44 T 7.87 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 1.17 0.00 0.00 45 G 8.31 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 0.00 0.00 0.00 46 A 7.38 4.75 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 47 R 8.51 5.14 0.00 1.78 1.92 0.00 3.40 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 48 G 7.96 4.10 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 0.00 49 V 8.29 5.82 2.29 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 0.79 0.00 0.00 1.02 0.00 0.00 50 F 8.11 5.17 0.00 2.47 3.14 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 0.00 0.00 0.00 0.00 51 P 0.00 3.27 0.00 1.69 1.42 0.00 2.20 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.67 0.00 52 A 8.05 2.58 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 4.42 0.00 3.04 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 54 Y 8.58 4.28 0.00 3.30 2.94 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 0.00 0.00 0.00 55 A 7.91 5.36 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.60 4.74 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.90 0.00 0.00 57 E 8.76 4.30 0.00 1.84 1.83 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 2.13 2.38 0.00 58 V 8.16 3.81 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 0.66 0.00 0.00 0.97 0.00 0.00 59 T 8.34 4.22 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 1.21 0.00 0.00 60 K 8.53 4.15 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81