NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1867 8.2549 119.6881 54.8903 31.8689 175.0671 2 P 4.0145 0.0000 0.0000 62.2137 31.8199 176.3589 3 D 4.3840 8.4000 121.8487 57.0615 41.8080 178.5984 4 F 4.3217 7.9207 114.6490 59.6937 37.5462 177.8126 5 C 4.7010 7.4923 116.0674 59.1564 40.0272 174.6854 6 L 4.3567 7.8576 118.8376 54.0058 42.0610 176.4680 7 E 4.3629 7.4999 119.4500 54.6618 30.3615 174.9394 8 P 4.3868 0.0000 0.0000 61.5106 32.1117 174.4001 9 P 3.5368 0.0000 0.0000 62.7252 31.3248 175.1767 10 Y 4.6224 7.8069 121.3577 56.0929 40.5049 175.3790 11 T 4.1733 8.2936 125.2504 65.0733 68.8772 175.9594 12 G 3.6772 6.8209 105.4447 43.9183 0.0000 171.1161 13 P 4.1672 0.0000 0.0000 64.5937 31.8439 177.7173 14 C 4.1511 7.6441 116.4798 56.9251 40.6781 173.1712 15 F 4.8403 8.1422 118.4268 57.7258 38.7333 176.1713 16 A 4.3887 7.7955 123.3146 51.0438 20.7681 177.7520 17 R 4.7415 8.0744 117.7303 54.4789 29.5493 172.9817 18 I 4.4156 8.3346 122.4216 59.1088 39.8003 175.2896 19 I 4.2169 8.2820 128.3279 61.2676 37.7140 175.4417 20 R 4.8436 8.3390 124.9139 54.7595 35.1750 173.4476 21 Y 5.6451 9.5279 117.8548 56.5485 41.1957 175.2990 22 F 5.7642 9.5327 116.9954 55.4222 42.1106 172.8389 23 Y 4.4943 10.0871 122.5664 57.0439 40.2292 173.9471 24 N 4.8117 7.9771 125.6771 51.3250 38.8505 174.6617 25 A 3.7925 8.2773 129.4352 54.9100 18.7879 178.9155 26 K 4.0309 8.0010 114.1588 58.8902 32.1657 177.8978 27 A 4.2737 7.9363 119.4037 51.6028 19.9119 177.7839 28 G 4.0489 8.6882 103.7837 45.0897 0.0000 172.6667 29 L 4.8745 6.8484 118.4821 54.1049 44.4731 175.4216 30 C 4.9395 8.6730 116.6244 56.5369 40.1835 173.2567 31 Q 4.9112 8.6300 121.1505 54.1587 32.7967 174.7066 32 T 4.8856 8.4682 110.8474 61.4513 70.6925 173.5207 33 F 4.9990 8.8490 116.8971 56.1116 42.0816 172.7681 34 V 4.3901 8.4181 119.5425 61.8200 32.4485 174.0830 35 Y 4.8032 8.8582 130.0064 56.0051 40.3856 176.4946 36 G 3.7343 8.3799 113.5342 46.4976 0.0000 175.0984 37 G 3.7758 6.3940 107.5606 45.1761 0.0000 172.4039 38 C 4.9864 6.6879 111.3321 54.2638 44.6860 173.1888 39 R 3.8001 8.8133 116.4212 57.1455 27.1229 176.8866 40 A 4.2520 8.2734 119.1531 52.3588 19.0673 178.4332 41 K 4.3037 8.2872 121.0948 55.0011 33.6727 177.4679 42 R 3.4214 7.9864 118.1909 58.8678 30.3596 177.6239 43 N 4.8080 7.7040 118.0764 51.4738 37.5167 174.6821 44 N 5.1051 6.6138 116.6304 52.8137 41.5697 173.0361 45 F 5.0432 9.5510 124.8577 55.6286 42.3943 176.5733 46 K 4.5518 8.8501 121.7562 58.0837 32.8364 177.7918 47 S 4.5233 7.7821 112.8547 55.4794 67.2355 174.5947 48 A 3.3372 7.3132 124.7045 54.8425 18.0240 179.8179 49 E 3.7188 7.7669 117.3876 59.5397 29.8117 178.5682 50 D 4.2672 7.8628 118.8584 57.4423 40.8557 178.0482 51 C 2.4500 7.5480 118.2770 59.0665 44.8013 175.7023 52 L 3.8176 7.8751 120.8038 57.7638 40.9367 179.7202 53 R 3.8914 7.9034 117.1874 58.7332 29.9896 178.3437 54 T 4.3111 7.1541 114.0066 64.5677 69.5457 174.8177 55 C 4.4995 8.2104 115.8928 55.6807 42.0842 174.0333 56 G 3.7685 7.3780 109.2879 47.4354 0.0000 174.1152 57 G 3.8611 8.9149 112.3916 45.0484 0.0000 173.0687 58 A 4.0674 7.2861 127.3420 52.3922 18.2434 177.3380 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 R 8.25 4.19 0.00 1.66 1.70 0.00 3.34 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 2 P 0.00 4.01 0.00 0.67 1.53 0.00 3.25 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 3 D 8.40 4.38 0.00 2.68 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 4 F 7.92 4.32 0.00 3.21 3.34 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 0.00 5 C 7.49 4.70 0.00 2.99 3.22 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 6 L 7.86 4.36 0.00 1.74 1.76 0.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.50 4.36 0.00 2.21 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 2.41 2.44 0.00 8 P 0.00 4.39 0.00 2.07 2.00 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.54 0.00 0.71 0.49 0.00 3.24 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.00 10 Y 7.81 4.62 0.00 2.78 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 11 T 8.29 4.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 12 G 6.82 3.68 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 0.00 0.00 0.00 13 P 0.00 4.17 0.00 2.01 2.10 0.00 3.73 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 1.87 1.96 0.00 14 C 7.64 4.15 0.00 2.74 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 15 F 8.14 4.84 0.00 3.02 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 16 A 7.80 4.39 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 17 R 8.07 4.74 0.00 1.75 1.77 0.00 3.20 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 18 I 8.33 4.42 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.98 0.00 0.00 19 I 8.28 4.22 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.68 0.00 0.00 20 R 8.34 4.84 0.00 0.86 1.90 0.00 3.43 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 21 Y 9.53 5.65 0.00 3.16 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 22 F 9.53 5.76 0.00 3.10 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 23 Y 10.09 4.49 0.00 3.10 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 24 N 7.98 4.81 0.00 2.34 2.44 0.00 0.00 6.72 8.60 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 25 A 8.28 3.79 1.38 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 0.00 0.00 0.00 26 K 8.00 4.03 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 7.94 4.27 1.17 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 28 G 8.69 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 0.00 0.00 0.00 29 L 6.85 4.87 0.00 1.69 1.72 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.67 4.94 0.00 2.89 3.16 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 31 Q 8.63 4.91 0.00 1.34 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 32 T 8.47 4.89 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 0.80 0.00 0.00 33 F 8.85 5.00 0.00 3.04 3.18 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 0.00 34 V 8.42 4.39 2.10 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 0.73 0.00 0.00 0.92 0.00 0.00 35 Y 8.86 4.80 0.00 2.52 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.39 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.69 4.99 0.00 3.03 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 39 R 8.81 3.80 0.00 2.19 2.20 0.00 3.24 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 40 A 8.27 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.29 4.30 0.00 1.71 1.65 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.04 7.81 42 R 7.99 3.42 0.00 0.84 0.66 0.00 2.57 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.25 0.00 43 N 7.70 4.81 0.00 3.22 2.89 0.00 0.00 6.69 7.79 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 44 N 6.61 5.11 0.00 2.66 2.56 0.00 0.00 7.08 7.02 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 45 F 9.55 5.04 0.00 3.29 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 46 K 8.85 4.55 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.78 4.52 0.00 3.86 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 48 A 7.31 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.77 3.72 0.00 1.94 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 2.30 2.33 0.00 50 D 7.86 4.27 0.00 2.97 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 51 C 7.55 2.45 0.00 2.71 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 52 L 7.88 3.82 0.00 1.72 1.61 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.90 3.89 0.00 1.83 1.93 0.00 3.10 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 54 T 7.15 4.31 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 1.61 0.00 0.00 55 C 8.21 4.50 0.00 2.72 2.28 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 56 G 7.38 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 0.00 0.00 0.00 58 A 7.29 4.07 1.14 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 0.00 0.00