NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.0975 8.3149 120.1217 56.2204 32.5916 174.2127 7 K 4.4392 7.8736 123.7388 54.3829 34.3225 174.0493 8 Y 5.4722 8.8568 122.3268 56.5800 42.6138 174.0010 9 A 4.7955 9.0666 121.4359 50.6510 23.3229 174.9738 10 K 4.9822 8.4450 120.1479 54.4569 35.0889 175.5312 11 S 4.3643 9.0705 122.7202 58.0656 62.8464 174.8353 12 K 3.6678 8.7800 127.8929 58.1600 32.4618 175.4461 13 Y 4.9897 7.3582 113.8083 55.9540 42.1215 174.8327 14 D 4.8826 8.8623 120.2783 54.5422 42.3568 176.1532 15 F 4.8163 9.3268 123.3657 56.9441 42.8268 173.1991 16 V 4.2190 7.7793 126.3248 60.6221 31.8127 175.3390 17 A 3.8595 8.3779 132.3994 52.1963 18.5927 178.1333 18 R 3.8922 8.8067 119.8043 57.5605 30.2514 175.6792 19 N 4.6668 7.4336 116.0776 51.9648 40.1017 175.3352 20 S 4.3141 8.6658 112.7588 60.3959 62.9000 175.1456 21 S 4.4999 8.3477 116.4608 59.3301 63.1483 173.6864 22 E 4.7252 7.9219 119.4369 54.4085 31.6944 174.6079 23 L 4.7726 8.2627 121.9580 53.4235 43.8094 176.1474 24 S 4.7118 8.7590 122.5579 58.8153 63.8162 173.9415 25 V 4.6697 8.9560 115.3114 60.3057 36.5255 174.0715 26 M 5.0922 9.1484 122.1769 53.0238 34.9531 175.7533 27 K 3.9902 9.1374 122.6987 58.5026 32.6566 177.0408 28 D 4.6633 9.2976 124.2115 54.4264 39.6113 174.2801 29 D 4.5703 7.9700 120.2739 54.3075 42.0826 175.2878 30 V 4.7931 8.2913 121.9775 61.3605 33.3257 174.7999 31 L 4.9933 9.1417 127.1423 52.8776 45.7357 174.9004 32 E 4.6363 8.7419 122.7379 55.2721 30.8016 175.3409 33 I 4.1566 8.3345 128.8358 60.5629 38.2563 175.8805 34 L 4.4007 8.4440 126.7563 53.7420 43.6773 175.7764 35 D 4.2753 9.0774 115.3365 54.9381 40.0243 173.1116 36 D 4.3619 8.6322 112.6163 56.0015 37.8350 173.6766 37 R 3.8465 7.8574 110.4444 56.7474 29.0867 177.3269 38 R 3.8831 7.4902 117.4562 56.9935 30.6101 175.8149 39 Q 4.7477 8.2018 122.4810 54.6352 30.8946 174.5708 40 W 5.3009 8.8614 120.9946 54.7731 33.1092 174.6714 41 W 5.3868 9.2252 121.7640 54.9310 32.3319 174.5299 42 K 4.4356 8.8569 124.4802 55.8434 32.6035 176.0812 43 V 4.6395 8.8343 119.7974 59.6276 36.6668 174.1391 44 R 5.0612 8.3726 121.4584 54.7187 32.8578 174.9942 45 N 4.7291 9.1590 124.0321 51.2497 39.2838 175.5465 46 A 3.9916 8.5594 120.5066 55.1041 18.3229 178.4183 47 S 4.4912 8.2591 108.0953 58.1527 63.2207 175.1957 48 G 3.9483 8.1616 109.0916 45.5655 0.0000 173.8947 49 D 4.6172 8.3293 120.5278 54.1690 42.0394 175.3390 50 S 5.0715 8.2263 116.4543 56.5006 65.5236 172.9647 51 G 3.9295 8.2730 111.8361 46.2921 0.0000 171.5237 52 F 5.4319 8.9096 118.4307 56.3789 40.4952 176.1992 53 V 4.8469 9.0613 121.7161 60.4097 35.0667 173.0582 54 P 3.7784 0.0000 0.0000 62.3781 31.6903 176.8981 55 N 4.0019 8.3855 119.7489 53.5576 37.5486 176.2006 56 N 4.4016 7.6115 115.8554 54.0339 37.8076 175.3486 57 I 4.2933 6.9860 111.3519 60.4179 38.0679 175.0547 58 L 4.8114 7.4014 120.4345 53.2100 43.8443 175.4873 59 D 5.0025 8.4036 121.2424 52.2216 43.4820 176.2425 60 I 3.9713 8.5124 124.9654 61.6085 37.8619 175.1058 61 M 4.6813 8.4004 123.3295 53.6368 33.8062 175.5895 62 R 4.7218 8.0850 118.1826 54.2953 32.8400 174.7682 63 T 4.0246 8.2195 108.8452 60.8302 69.4456 172.6576 64 P 4.4049 0.0000 0.0000 63.1486 31.2952 176.2928 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 6 K 8.31 4.10 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 7 K 7.87 4.44 0.00 1.67 1.65 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 8 Y 8.86 5.47 0.00 2.79 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 9 A 9.07 4.80 1.22 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 0.00 0.00 0.00 10 K 8.45 4.98 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.63 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.53 7.81 11 S 9.07 4.36 0.00 3.95 3.89 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 12 K 8.78 3.67 0.00 1.55 1.50 0.00 1.37 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.93 0.21 7.81 13 Y 7.36 4.99 0.00 2.93 2.86 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 14 D 8.86 4.88 0.00 2.64 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 15 F 9.33 4.82 0.00 3.12 2.93 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 16 V 7.78 4.22 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 0.70 0.00 0.00 0.84 0.00 0.00 17 A 8.38 3.86 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 18 R 8.81 3.89 0.00 1.95 2.05 0.00 3.34 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 19 N 7.43 4.67 0.00 3.13 2.93 0.00 0.00 6.58 7.37 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 20 S 8.67 4.31 0.00 4.01 4.05 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 0.00 0.00 0.00 21 S 8.35 4.50 0.00 4.19 4.15 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 22 E 7.92 4.73 0.00 2.24 2.17 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 2.65 2.52 0.00 23 L 8.26 4.77 0.00 1.61 1.57 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.76 4.71 0.00 3.79 3.74 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 0.00 0.00 0.00 0.00 25 V 8.96 4.67 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 0.82 0.00 0.00 1.10 0.00 0.00 26 M 9.15 5.09 0.00 1.92 2.21 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 2.53 2.61 0.00 27 K 9.14 3.99 0.00 1.75 1.73 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 28 D 9.30 4.66 0.00 2.84 2.82 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 0.00 0.00 0.00 29 D 7.97 4.57 0.00 2.75 2.60 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 30 V 8.29 4.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.88 0.00 0.00 31 L 9.14 4.99 0.00 1.55 1.52 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.74 4.64 0.00 1.90 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 2.06 1.88 0.00 33 I 8.33 4.16 1.81 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 1.21 0.65 0.90 0.00 0.00 34 L 8.44 4.40 0.00 1.67 1.56 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 D 9.08 4.28 0.00 3.00 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 36 D 8.63 4.36 0.00 2.84 2.68 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 0.00 0.00 0.00 37 R 7.86 3.85 0.00 2.04 1.99 0.00 3.18 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 38 R 7.49 3.88 0.00 1.72 1.84 0.00 2.88 0.00 0.00 3.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.34 0.00 39 Q 8.20 4.75 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 40 W 8.86 5.30 0.00 3.16 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 41 W 9.23 5.39 0.00 3.39 2.92 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 0.00 0.00 0.00 42 K 8.86 4.44 0.00 1.61 1.62 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.11 0.62 7.81 43 V 8.83 4.64 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 0.76 0.00 0.00 1.05 0.00 0.00 44 R 8.37 5.06 0.00 1.73 1.72 0.00 3.20 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 45 N 9.16 4.73 0.00 2.95 2.97 0.00 0.00 6.56 7.58 0.00 0.00 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 8.56 3.99 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 47 S 8.26 4.49 0.00 3.99 3.96 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 48 G 8.16 3.95 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 0.00 0.00 0.00 49 D 8.33 4.62 0.00 2.80 2.60 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 50 S 8.23 5.07 0.00 3.79 3.65 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 51 G 8.27 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 52 F 8.91 5.43 0.00 2.99 3.25 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 53 V 9.06 4.85 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 1.00 0.00 0.00 1.06 0.00 0.00 54 P 0.00 3.78 0.00 1.77 1.11 0.00 3.44 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 1.65 0.51 0.00 55 N 8.39 4.00 0.00 1.44 1.76 0.00 0.00 6.49 7.48 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 56 N 7.61 4.40 0.00 2.70 2.77 0.00 0.00 5.95 7.81 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 57 I 6.99 4.29 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.81 0.00 0.00 58 L 7.40 4.81 0.00 1.68 1.77 1.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.40 5.00 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.97 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.88 0.92 0.00 0.00 61 M 8.40 4.68 0.00 1.99 1.97 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 2.53 2.51 0.00 62 R 8.08 4.72 0.00 1.85 1.85 0.00 3.05 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 63 T 8.22 4.02 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 64 P 0.00 4.40 0.00 2.06 2.02 0.00 3.71 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 2.09 0.00