NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1493 7.9133 120.6519 62.9611 33.1372 174.8844 2 C 5.3790 8.7116 123.9088 53.5084 42.8574 171.7755 3 S 4.8419 9.6780 117.0198 57.1396 67.1505 171.8072 4 C 5.3050 8.8231 119.0337 56.2544 41.3003 173.2430 5 R 5.0009 9.3198 123.3742 54.3314 32.5699 177.4612 6 L 3.5876 8.7906 122.1155 56.6267 41.8641 177.0896 7 V 3.8601 7.2001 113.9828 61.6494 33.7824 174.8535 8 F 5.2231 7.7974 117.4213 55.4543 42.6881 176.2300 9 C 4.5909 8.6543 119.8526 56.7591 42.0360 174.1628 10 R 4.2825 9.0287 121.8491 55.7643 30.3685 178.0580 11 R 3.8424 8.5443 119.9507 59.7315 30.0322 177.3762 12 T 4.2952 7.8219 104.8337 61.7659 69.1652 173.6744 13 E 4.9059 8.0123 121.1863 54.7114 32.8384 174.9096 14 L 4.8464 8.4172 120.2968 52.7629 45.2204 175.9612 15 R 4.4020 8.5723 122.8336 56.6023 29.9000 175.9529 16 V 4.1076 8.7995 127.0414 63.1762 33.0460 176.7032 17 G 4.2165 7.3001 109.1542 45.9811 0.0000 171.0925 18 N 5.6727 8.8265 120.0723 51.3943 40.9862 174.8461 19 C 5.1017 9.1767 116.3059 55.0376 44.5435 173.1409 20 L 5.3619 8.4507 122.5761 53.5642 44.3531 175.8658 21 I 4.4602 8.7428 127.4187 60.4468 40.1779 176.0066 22 G 4.1566 9.9450 115.0881 46.5546 0.0000 174.3525 23 G 3.9757 8.5485 107.8267 44.8869 0.0000 174.3857 24 V 4.1512 7.7338 120.1524 61.5927 32.7344 174.5429 25 S 5.3424 8.3546 122.6553 57.7529 64.1508 173.3598 26 F 4.9851 9.5463 121.9760 55.9776 43.4613 173.9348 27 T 4.7358 8.8566 117.4101 62.7519 70.5224 173.4752 28 Y 5.1621 9.0694 128.1069 56.7290 40.3639 173.3691 29 C 5.4445 8.9659 124.9274 55.2984 42.1421 172.5572 30 C 5.5281 8.8803 120.5442 54.6388 43.9455 174.3344 31 T 4.1800 8.5779 112.0853 62.1927 67.8341 173.9088 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 V 7.91 4.15 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 1.02 0.00 0.00 0.92 0.00 0.00 2 C 8.71 5.38 0.00 2.84 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 0.00 0.00 0.00 0.00 3 S 9.68 4.84 0.00 3.81 3.88 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 4 C 8.82 5.31 0.00 2.63 2.81 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 0.00 0.00 0.00 5 R 9.32 5.00 0.00 1.76 1.85 0.00 3.31 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 6 L 8.79 3.59 0.00 1.53 1.51 0.89 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.20 3.86 1.78 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 -0.20 0.00 0.00 0.72 0.00 0.00 8 F 7.80 5.22 0.00 3.07 2.81 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 0.00 0.00 0.00 9 C 8.65 4.59 0.00 3.01 3.04 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 0.00 0.00 0.00 0.00 10 R 9.03 4.28 0.00 1.94 1.86 0.00 3.14 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 11 R 8.54 3.84 0.00 1.75 1.96 0.00 3.22 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 12 T 7.82 4.30 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 13 E 8.01 4.91 0.00 2.05 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 2.19 2.22 0.00 14 L 8.42 4.85 0.00 1.52 1.52 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.57 4.40 0.00 1.87 1.88 0.00 3.28 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 16 V 8.80 4.11 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 0.97 0.00 0.00 0.93 0.00 0.00 17 G 7.30 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 0.00 0.00 0.00 0.00 18 N 8.83 5.67 0.00 2.88 2.81 0.00 0.00 5.65 7.68 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 19 C 9.18 5.10 0.00 2.78 2.81 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 0.00 0.00 0.00 20 L 8.45 5.36 0.00 1.61 1.53 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.74 4.46 1.81 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.87 0.00 0.00 22 G 9.95 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.55 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 0.00 0.00 0.00 24 V 7.73 4.15 2.35 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 0.62 0.00 0.00 0.94 0.00 0.00 25 S 8.35 5.34 0.00 3.77 3.80 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 0.00 0.00 0.00 26 F 9.55 4.99 0.00 2.90 3.15 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 27 T 8.86 4.74 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 28 Y 9.07 5.16 0.00 2.98 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 29 C 8.97 5.44 0.00 2.90 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 30 C 8.88 5.53 0.00 2.71 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 31 T 8.58 4.18 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 1.27 0.00 0.00