NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2918 8.2493 123.5812 51.3789 19.9341 175.9921 7 P 4.3743 0.0000 0.0000 59.9375 32.6487 174.0734 8 D 4.8049 8.5540 122.5605 51.3447 42.6070 178.1658 9 F 3.8828 8.9151 120.8779 62.2679 39.0437 177.0310 10 H 4.5020 8.1793 114.9303 58.9722 28.3964 177.3723 11 D 4.3650 8.4577 120.1591 57.4879 40.6845 178.6223 12 K 3.7893 7.5744 118.1971 58.8216 32.3436 178.4094 13 Y 4.5342 7.5903 116.1868 58.6650 38.2663 178.0260 14 G 4.0478 7.9782 107.9019 48.3374 0.0000 175.3836 15 N 4.4113 8.2131 118.5800 55.6126 38.5288 177.2981 16 A 3.9241 7.9346 121.6239 55.1492 18.6853 179.2855 17 V 3.5622 8.1737 117.1526 66.2581 31.5516 177.8281 18 L 3.9338 8.4011 119.7778 58.1948 41.8719 178.8181 19 A 4.0036 7.9932 120.6714 55.3551 18.4828 179.8457 20 S 4.2392 8.4164 112.9503 61.4145 62.9900 176.9504 21 G 3.6435 8.2863 109.2932 47.5140 0.0000 175.6358 22 A 4.0647 8.1769 123.3784 55.1860 18.5693 179.8505 23 T 3.8407 8.3006 114.5874 66.8225 68.7087 176.6254 24 F 4.2619 8.4394 122.5194 61.3831 39.4485 176.4538 25 C 3.9857 8.3010 118.2632 62.7125 31.4292 175.6562 26 V 3.6353 7.7928 119.2163 65.9473 30.9497 177.9241 27 A 3.9673 7.9116 119.9406 55.3118 18.2652 179.7721 28 V 3.4202 7.3531 116.2699 65.7744 31.4580 178.3330 29 W 3.7513 8.1659 118.5611 59.6993 28.4210 178.5891 30 V 3.6924 8.0049 118.2052 66.1201 30.9417 177.3186 31 Y 4.0475 8.3210 119.3269 61.0884 38.5040 177.6818 32 M 3.9457 8.2379 117.6732 58.6013 32.3902 177.5743 33 A 4.7376 8.4596 119.5428 54.0837 18.7759 177.8926 34 T 4.6419 7.4573 103.1334 60.9293 70.4952 174.8825 35 Q 4.1175 8.2542 120.2798 56.1166 29.9481 175.6961 36 I 4.1526 6.9858 111.4207 59.1422 39.4143 175.3967 37 G 4.1653 8.1476 107.0274 45.7331 0.0000 174.1589 38 I 3.3465 7.2246 121.1376 60.9601 37.2990 175.9892 39 E 4.3309 8.2201 125.4444 54.7674 29.2435 176.0751 40 W 4.1879 8.7084 124.8278 57.3072 30.1611 176.3123 41 N 4.0937 7.9983 115.4669 53.9111 36.7688 170.8695 42 P 4.6265 0.0000 0.0000 61.7080 33.0006 176.9605 43 S 4.2810 8.3378 113.9156 57.7026 63.4734 172.9913 44 P 4.3222 0.0000 0.0000 64.9019 31.6062 176.4316 45 V 3.7349 6.9458 119.0838 63.4890 31.0423 176.4943 46 G 3.9747 9.0352 113.7240 45.2321 0.0000 173.4155 47 R 4.2662 8.0507 118.6229 57.7657 31.0874 176.2360 48 V 3.9892 7.4645 116.2776 61.9991 32.5186 175.3197 49 T 4.3223 8.2544 123.5433 61.4331 68.4880 173.0592 50 P 4.2371 0.0000 0.0000 62.8569 31.7931 175.7289 51 K 4.5448 8.4498 123.7212 53.8270 34.2902 175.0448 52 E 3.9340 8.9206 126.3380 56.9456 29.6834 176.4749 53 W 4.5963 8.5697 121.5651 56.1351 29.6726 176.0137 54 R 3.8335 6.7888 123.8862 56.2720 31.2067 174.8617 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 A 8.25 4.29 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 7 P 0.00 4.37 0.00 2.19 2.02 0.00 3.74 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 1.90 1.97 0.00 8 D 8.55 4.80 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.92 3.88 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.18 4.50 0.00 3.42 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.46 4.36 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.79 0.00 0.79 0.80 0.00 1.09 0.00 0.00 1.22 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.14 1.34 7.81 13 Y 7.59 4.53 0.00 2.48 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 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 15 N 8.21 4.41 0.00 2.75 2.89 0.00 0.00 6.92 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 16 A 7.93 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.56 2.41 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 1.08 0.00 0.00 1.13 0.00 0.00 18 L 8.40 3.93 0.00 1.86 1.83 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.99 4.00 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 20 S 8.42 4.24 0.00 4.08 4.17 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 21 G 8.29 3.64 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 0.00 0.00 0.00 22 A 8.18 4.06 1.44 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 0.00 0.00 0.00 23 T 8.30 3.84 4.37 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 1.28 0.00 0.00 24 F 8.44 4.26 0.00 3.17 3.36 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 25 C 8.30 3.99 0.00 3.27 3.13 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 0.00 26 V 7.79 3.64 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 0.98 0.00 0.00 0.98 0.00 0.00 27 A 7.91 3.97 1.33 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 0.00 0.00 28 V 7.35 3.42 1.77 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 0.93 0.00 0.00 0.26 0.00 0.00 29 W 8.17 3.75 0.00 3.58 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 30 V 8.00 3.69 2.23 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.32 4.05 0.00 3.10 3.12 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 0.00 32 M 8.24 3.95 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 33 A 8.46 4.74 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.46 4.64 4.25 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 1.23 0.00 0.00 35 Q 8.25 4.12 0.00 0.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 36 I 6.99 4.15 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.76 0.00 0.00 37 G 8.15 4.17 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 0.00 38 I 7.22 3.35 1.46 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.36 -0.31 0.00 0.00 39 E 8.22 4.33 0.00 1.84 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 2.21 2.22 0.00 40 W 8.71 4.19 0.00 3.29 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 41 N 8.00 4.09 0.00 2.85 2.81 0.00 0.00 7.21 9.00 0.00 0.00 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 P 0.00 4.63 0.00 2.24 2.09 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.34 4.28 0.00 4.00 3.92 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 44 P 0.00 4.32 0.00 2.24 2.35 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 6.95 3.73 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 0.68 0.00 0.00 0.93 0.00 0.00 46 G 9.04 3.97 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 0.00 0.00 0.00 47 R 8.05 4.27 0.00 1.74 2.09 0.00 3.27 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 48 V 7.46 3.99 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 0.88 0.00 0.00 0.94 0.00 0.00 49 T 8.25 4.32 4.26 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 1.22 0.00 0.00 50 P 0.00 4.24 0.00 2.07 2.06 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.45 4.54 0.00 1.71 1.71 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 52 E 8.92 3.93 0.00 1.93 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 2.21 2.24 0.00 53 W 8.57 4.60 0.00 3.63 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.79 3.83 0.00 1.77 2.16 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.36 0.00