NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7093 8.3601 120.5452 54.4881 41.5954 173.4795 2 A 4.5381 8.0178 127.2504 50.7527 25.1154 172.7906 3 E 4.5420 8.0655 111.3495 55.3301 32.6810 175.0530 4 F 4.2980 7.8199 119.0988 60.7343 39.4202 177.2251 5 R 4.0497 8.0845 118.6365 59.7461 30.6676 177.5589 6 H 4.5387 7.9288 113.8850 55.3734 27.6877 174.8272 7 D 4.6915 7.6396 122.2955 56.1974 42.5007 176.9416 8 S 4.2140 8.0505 114.1727 61.7579 62.7197 176.6019 9 G 3.7283 8.0509 107.0936 46.2218 0.0000 174.4030 10 Y 4.3641 7.7595 121.6930 60.6759 39.2648 177.0521 11 E 4.1185 8.7723 120.0347 59.5346 29.5015 178.4959 12 V 3.3225 8.3582 116.6858 66.8025 30.8995 177.8613 13 H 4.1487 8.1887 114.6543 58.4096 29.0171 176.9747 14 H 4.0549 7.3328 117.3555 58.6857 28.8030 176.4880 15 Q 4.3220 7.9321 119.9880 58.4424 29.6314 177.4560 16 K 4.2475 8.5162 120.8938 59.7668 32.1631 178.2397 17 L 4.0185 8.5820 119.4580 57.7815 41.6450 179.5054 18 V 3.5933 7.7998 117.5312 65.9866 31.5580 177.2684 19 F 4.1106 8.8026 120.6433 61.4832 39.1680 176.8905 20 F 3.6537 8.9146 120.0402 61.2128 39.2610 176.8469 21 A 4.0255 8.2667 120.3861 55.0863 18.1048 179.3690 22 E 3.7658 8.5874 117.3779 59.5895 29.3726 178.8476 23 D 4.0142 7.5968 116.7833 57.3179 41.4404 178.4070 24 V 3.5938 7.7139 118.8917 65.7675 31.3305 177.9992 25 G 3.6669 8.0502 104.2482 47.9209 0.0000 175.8040 26 S 4.6581 8.0942 116.4467 57.5975 63.9772 174.9815 27 N 4.8142 8.0574 118.8018 51.5987 39.7141 176.6403 28 K 3.9893 8.5340 119.0592 59.0706 31.9005 178.4108 29 G 3.9778 8.1658 104.3285 47.5363 0.0000 174.6376 30 A 4.3724 7.5871 121.4258 54.4613 19.7138 179.1992 31 I 3.7933 8.1774 117.5033 63.4576 37.0698 178.8915 32 I 3.6390 8.2169 122.4549 64.0504 36.7982 177.4354 33 G 3.8431 7.8217 106.5826 48.0444 0.0000 175.5952 34 L 4.0053 8.1516 122.9816 58.3349 40.2713 178.7023 35 M 3.9446 7.9813 117.7286 58.5011 32.4737 177.9234 36 V 3.8200 8.3613 118.6106 66.0271 31.5305 178.1818 37 G 3.7921 8.3139 104.7070 47.3261 0.0000 175.0196 38 G 3.8787 8.1767 106.3312 45.9497 0.0000 175.7458 39 V 3.8329 7.6287 120.3848 65.5881 31.6466 177.8971 40 V 3.7626 7.7822 117.8304 63.8625 31.3967 176.2225 41 I 4.0864 7.4350 118.1344 59.5729 39.1025 175.3818 42 A 4.0663 8.4238 122.9570 53.0643 18.5099 177.2343 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 D 8.36 4.71 0.00 2.73 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 2 A 8.02 4.54 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 3 E 8.07 4.54 0.00 1.70 1.72 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 1.73 1.53 0.00 4 F 7.82 4.30 0.00 3.12 3.17 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 5 R 8.08 4.05 0.00 1.84 1.90 0.00 3.36 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 6 H 7.93 4.54 0.00 3.07 3.27 0.00 5.68 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.64 4.69 0.00 2.79 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 8 S 8.05 4.21 0.00 4.08 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 0.00 9 G 8.05 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 10 Y 7.76 4.36 0.00 3.06 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 11 E 8.77 4.12 0.00 1.98 1.98 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 2.59 2.62 0.00 12 V 8.36 3.32 1.94 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 0.78 0.00 0.00 0.77 0.00 0.00 13 H 8.19 4.15 0.00 3.25 3.38 0.00 5.85 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 14 H 7.33 4.05 0.00 3.36 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.93 4.32 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 16 K 8.52 4.25 0.00 1.91 1.92 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.64 7.81 17 L 8.58 4.02 0.00 1.81 1.73 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.80 3.59 2.27 0.00 0.00 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 0.00 0.00 0.96 0.00 0.00 19 F 8.80 4.11 0.00 3.17 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 20 F 8.91 3.65 0.00 3.34 3.06 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 0.00 0.00 0.00 0.00 21 A 8.27 4.03 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 22 E 8.59 3.77 0.00 2.13 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 2.31 2.47 0.00 23 D 7.60 4.01 0.00 1.92 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 0.00 0.00 0.00 0.00 24 V 7.71 3.59 1.91 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 0.97 0.00 0.00 0.53 0.00 0.00 25 G 8.05 3.67 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 0.00 0.00 0.00 26 S 8.09 4.66 0.00 3.79 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 27 N 8.06 4.81 0.00 2.72 2.64 0.00 0.00 7.15 6.20 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 28 K 8.53 3.99 0.00 1.80 1.82 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.63 7.81 29 G 8.17 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 30 A 7.59 4.37 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.18 3.79 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.42 0.89 0.00 0.00 32 I 8.22 3.64 2.09 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 1.44 0.61 0.90 0.00 0.00 33 G 7.82 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 34 L 8.15 4.01 0.00 1.93 1.94 0.93 1.02 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 35 M 7.98 3.94 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 36 V 8.36 3.82 2.19 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 1.04 0.00 0.00 0.97 0.00 0.00 37 G 8.31 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 0.00 0.00 0.00 38 G 8.18 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 0.00 0.00 0.00 39 V 7.63 3.83 2.20 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 0.97 0.00 0.00 0.97 0.00 0.00 40 V 7.78 3.76 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 1.00 0.00 0.00 0.93 0.00 0.00 41 I 7.44 4.09 1.87 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 1.35 0.47 0.91 0.00 0.00 42 A 8.42 4.07 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