NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3936 8.2493 123.5834 51.6984 20.7779 176.6441 2 E 4.4257 7.6930 112.1874 55.4551 32.3358 173.9101 3 G 3.9267 9.2208 109.0192 45.7258 0.0000 174.4133 4 D 4.7647 7.6685 118.0592 54.5220 42.9721 177.5780 5 D 4.3765 8.3808 119.0644 57.3269 40.7198 176.5355 6 P 4.4629 0.0000 0.0000 63.2421 31.7021 177.1676 7 A 4.3755 7.3700 121.0480 53.3615 19.7158 179.0164 8 K 3.8204 8.4937 118.6008 59.9783 32.0119 178.6788 9 A 4.0666 8.0010 120.0962 54.8214 18.4994 178.5011 10 A 3.8201 7.8563 119.1900 56.2857 18.2860 179.9093 11 F 4.5664 7.8029 114.2990 60.6519 39.1412 177.7061 12 D 4.5620 8.1832 118.1073 57.1468 40.3761 179.0704 13 S 4.1390 8.4988 116.5270 61.4413 62.8720 176.6087 14 L 4.0347 7.9494 121.5071 57.9484 41.4504 179.5433 15 Q 3.9981 8.8657 118.1193 59.0105 28.6001 178.8353 16 A 4.0590 8.3346 121.8337 55.1218 18.4480 179.9165 17 S 4.1605 7.8914 113.6632 61.3175 62.8413 176.4363 18 A 3.9577 8.0021 123.5722 55.7800 17.7828 179.7088 19 T 3.7218 7.9209 113.9263 66.8839 68.2014 176.7061 20 E 3.8662 7.4297 118.2496 59.6543 29.8218 178.8067 21 M 3.4590 7.6796 117.7837 57.4637 32.1805 178.6248 22 I 3.9630 8.4873 120.8551 64.4733 37.2079 178.4035 23 G 3.8308 7.9414 105.4203 47.3052 0.0000 174.9294 24 Y 4.5259 8.4428 119.1600 60.3450 38.2692 177.7017 25 A 4.0852 8.0766 121.3490 54.8346 18.4243 179.5195 26 W 3.9421 8.6021 117.2701 60.0809 29.2669 178.7722 27 A 4.1236 8.1642 120.3303 55.0629 17.7736 179.3832 28 M 3.9448 8.4989 118.0138 58.8041 32.0991 179.1072 29 V 3.5449 7.5685 117.6899 66.0946 31.7002 178.2534 30 V 3.6471 7.6157 117.9904 65.8704 31.1053 178.1073 31 V 3.6276 8.1782 117.7297 66.0261 31.5718 177.7015 32 I 3.9589 7.7417 119.3612 63.9961 37.1413 178.4939 33 V 3.9100 7.8928 121.0246 65.0997 31.2187 177.7324 34 G 3.8402 8.5608 105.6698 48.3587 0.0000 175.2522 35 A 3.8873 7.8646 122.5544 54.7883 18.4337 179.1239 36 T 3.8214 7.9371 114.1456 67.4161 68.6214 176.6158 37 I 3.8126 8.4793 121.3672 64.4079 37.0292 178.7360 38 G 3.7456 8.1706 105.6735 47.9898 0.0000 175.3961 39 I 3.3907 8.2547 122.4672 63.7688 37.0020 178.2647 40 K 3.8794 7.7309 119.3361 59.9605 31.9770 179.0343 41 L 4.1780 7.9880 118.5256 57.8451 41.2548 179.7028 42 F 3.3940 8.4904 117.7614 60.4751 38.8041 177.9056 43 K 4.0849 8.1566 117.5101 59.2577 31.8159 179.2822 44 K 3.9967 8.4273 119.0939 59.7787 31.8258 179.1399 45 F 4.1156 8.5887 116.6656 61.1274 38.5489 177.6460 46 T 4.0844 7.7844 115.2331 66.8092 68.2545 177.0574 47 S 4.0080 8.5589 117.0707 61.5689 62.6977 176.8965 48 K 3.9028 8.1630 120.3502 59.5214 31.8917 178.8260 49 A 4.1045 7.4037 119.4098 54.7495 18.2581 177.5618 50 S 4.2563 7.6960 117.5375 58.9193 62.9109 174.0328 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 A 8.25 4.39 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 2 E 7.69 4.43 0.00 2.10 1.87 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 2.17 2.37 0.00 3 G 9.22 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 0.00 0.00 0.00 4 D 7.67 4.76 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.38 0.00 2.74 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 6 P 0.00 4.46 0.00 2.02 2.07 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 7 A 7.37 4.38 1.26 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 8 K 8.49 3.82 0.00 1.80 1.99 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.52 7.81 9 A 8.00 4.07 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 10 A 7.86 3.82 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.80 4.57 0.00 3.09 2.99 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 12 D 8.18 4.56 0.00 2.71 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 13 S 8.50 4.14 0.00 4.12 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 14 L 7.95 4.03 0.00 2.12 1.83 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.87 4.00 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 16 A 8.33 4.06 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 17 S 7.89 4.16 0.00 4.06 3.90 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 0.00 0.00 0.00 0.00 18 A 8.00 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.92 3.72 4.22 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 0.00 0.00 0.00 1.18 0.00 0.00 20 E 7.43 3.87 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 21 M 7.68 3.46 0.00 1.96 1.99 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 2.39 2.40 0.00 22 I 8.49 3.96 1.97 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 1.58 0.98 1.15 0.00 0.00 23 G 7.94 3.83 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 0.00 0.00 0.00 24 Y 8.44 4.53 0.00 3.12 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 25 A 8.08 4.09 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 26 W 8.60 3.94 0.00 3.41 3.31 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 27 A 8.16 4.12 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 28 M 8.50 3.94 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.87 0.00 29 V 7.57 3.54 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 0.89 0.00 0.00 0.90 0.00 0.00 30 V 7.62 3.65 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 0.93 0.00 0.00 1.01 0.00 0.00 31 V 8.18 3.63 2.24 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 0.83 0.00 0.00 0.94 0.00 0.00 32 I 7.74 3.96 1.95 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 1.39 0.64 0.88 0.00 0.00 33 V 7.89 3.91 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 1.18 0.00 0.00 0.96 0.00 0.00 34 G 8.56 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 35 A 7.86 3.89 1.23 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 0.00 0.00 0.00 36 T 7.94 3.82 4.34 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 1.19 0.00 0.00 37 I 8.48 3.81 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.95 0.00 0.00 38 G 8.17 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 39 I 8.25 3.39 1.98 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 -0.09 0.81 0.00 0.00 40 K 7.73 3.88 0.00 1.93 1.93 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.62 7.81 41 L 7.99 4.18 0.00 2.09 1.87 1.10 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.49 3.39 0.00 3.14 2.99 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 43 K 8.16 4.08 0.00 1.99 1.91 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.57 7.81 44 K 8.43 4.00 0.00 2.21 1.98 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.80 7.81 45 F 8.59 4.12 0.00 3.05 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 46 T 7.78 4.08 4.44 0.00 0.00 0.00 0.00 0.00 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 47 S 8.56 4.01 0.00 3.89 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 48 K 8.16 3.90 0.00 1.74 1.85 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.69 7.81 49 A 7.40 4.10 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 50 S 7.70 4.26 0.00 3.93 3.79 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 0.00 0.00 0.00