NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.0181 8.2676 117.8905 51.9276 38.4730 174.3091 2 P 4.7797 0.0000 0.0000 62.4552 31.2199 173.6281 3 E 4.3008 7.9975 121.9302 58.6209 30.9015 179.3778 4 D 4.3204 7.8270 117.5314 56.6810 41.3836 176.6262 5 W 4.9499 8.0753 116.6472 56.5527 29.5258 175.3939 6 F 4.3966 7.9421 121.4404 58.1629 39.6653 175.7163 7 T 4.3342 7.8958 118.4096 58.5583 67.6457 172.7386 8 P 3.8769 0.0000 0.0000 65.5725 31.7730 179.0784 9 D 4.0437 7.8727 118.3096 56.9702 40.7341 176.7291 10 T 4.4912 7.5809 109.4220 60.9728 68.9310 172.3816 11 C 4.6588 7.4399 121.0154 56.0853 44.2394 172.9926 12 A 4.4931 8.7724 130.7382 52.9362 18.2630 176.3468 13 Y 4.7236 8.1260 115.7217 57.9357 41.6655 176.0568 14 G 4.1379 8.8740 110.0223 45.7569 0.0000 173.7424 15 D 4.9122 7.9689 120.7463 51.9176 44.0641 176.8561 16 S 2.7900 7.8256 119.4579 61.0534 62.7047 176.1637 17 N 4.3528 7.8697 120.0203 56.4924 38.3840 177.0831 18 T 3.9650 7.9509 116.2077 67.0425 68.5564 175.9480 19 A 3.5345 8.5056 123.1537 54.5040 18.3930 179.0477 20 W 4.0858 9.0852 125.8936 61.1507 30.6559 178.7200 21 T 4.1151 8.2064 115.6252 66.2262 68.1577 176.5208 22 T 4.0244 8.1439 117.9446 67.0866 68.3649 176.0054 23 C 4.5705 8.2010 116.7431 58.9911 39.4236 175.2289 24 T 4.3686 7.4422 110.5769 60.4906 68.6559 173.5761 25 T 4.6218 7.2524 110.6449 58.9321 71.8695 171.8246 26 P 4.4625 0.0000 0.0000 63.0234 32.4973 174.9632 27 G 3.9532 8.1094 116.6047 44.8400 0.0000 173.9258 28 Q 4.3059 8.8965 120.8657 57.7432 29.3580 177.1093 29 T 4.7522 7.2744 107.9481 61.1808 70.5503 173.3694 30 C 5.1023 7.9840 135.0000 59.7004 30.6056 175.2869 31 Y 3.9255 8.7449 117.8036 60.5546 38.9498 178.0620 32 T 3.9445 8.2040 116.4174 66.6769 68.6119 176.8701 33 C 4.2144 8.5500 120.8506 59.9248 38.0742 174.7845 34 C 3.7998 7.7004 118.2441 60.1422 39.4460 176.2132 35 S 4.1314 7.8190 113.5262 60.7724 62.1106 174.8920 36 S 4.7595 7.4683 114.2290 58.6279 62.8286 173.9426 37 C 5.0447 8.0387 115.0748 56.6167 43.8981 173.3882 38 F 5.4709 8.1835 116.0751 55.3649 43.0179 174.1918 39 D 4.6753 9.2759 121.6598 54.2120 41.6875 177.8936 40 V 3.6264 8.6926 120.2364 65.4648 30.3522 178.8455 41 V 3.3046 7.5667 118.0466 65.6856 31.3945 178.2020 42 G 3.3230 7.3928 104.8503 47.2814 0.0000 174.7509 43 E 4.0950 8.4621 123.3024 58.8381 29.5789 178.7915 44 Q 3.6869 7.7599 118.5050 59.0913 28.9497 178.2915 45 A 3.9967 7.1163 120.2478 54.8536 18.6024 178.6555 46 C 2.9579 7.8884 117.3715 59.4715 43.5111 175.8012 47 Q 3.4057 7.9350 118.4639 58.2739 28.2118 178.0382 48 M 4.3257 7.6757 116.1752 55.8311 31.9360 176.4869 49 S 4.4359 8.0323 113.0927 57.7506 63.3858 173.1086 50 A 4.3478 7.7172 122.3964 51.4710 18.8353 176.9172 51 Q 4.3903 8.2227 121.5383 54.7485 30.2257 175.6493 52 C 4.2833 8.4544 116.3196 58.1585 29.9934 174.0951 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 N 8.27 4.02 0.00 2.52 2.66 0.00 0.00 5.64 6.63 0.00 0.00 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 P 0.00 4.78 0.00 1.88 1.32 0.00 3.36 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.00 3 E 8.00 4.30 0.00 1.90 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 2.34 2.17 0.00 4 D 7.83 4.32 0.00 2.41 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 0.00 0.00 0.00 0.00 5 W 8.08 4.95 0.00 3.96 3.23 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 0.00 6 F 7.94 4.40 0.00 2.82 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 7 T 7.90 4.33 4.14 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 1.27 0.00 0.00 8 P 0.00 3.88 0.00 1.96 1.55 0.00 3.31 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 9 D 7.87 4.04 0.00 2.60 2.73 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 10 T 7.58 4.49 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 11 C 7.44 4.66 0.00 2.95 2.95 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 12 A 8.77 4.49 1.34 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 0.00 0.00 13 Y 8.13 4.72 0.00 3.09 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 14 G 8.87 4.14 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 0.00 15 D 7.97 4.91 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 2.79 0.00 3.83 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.35 0.00 2.73 2.88 0.00 0.00 7.10 6.98 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 18 T 7.95 3.96 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 19 A 8.51 3.53 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 W 9.09 4.09 0.00 3.72 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 21 T 8.21 4.12 4.34 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 1.30 0.00 0.00 22 T 8.14 4.02 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 1.24 0.00 0.00 23 C 8.20 4.57 0.00 2.61 2.84 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 24 T 7.44 4.37 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 0.55 0.00 0.00 25 T 7.25 4.62 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 1.27 0.00 0.00 26 P 0.00 4.46 0.00 2.21 2.12 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 2.00 1.97 0.00 27 G 8.11 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 28 Q 8.90 4.31 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.16 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 29 T 7.27 4.75 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 1.26 0.00 0.00 30 C 7.98 5.10 0.00 3.07 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 0.00 0.00 0.00 0.00 31 Y 8.74 3.93 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.20 3.94 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 C 8.55 4.21 0.00 2.96 3.40 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 34 C 7.70 3.80 0.00 2.62 2.84 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 35 S 7.82 4.13 0.00 3.78 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 36 S 7.47 4.76 0.00 3.96 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 37 C 8.04 5.04 0.00 3.30 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 38 F 8.18 5.47 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 39 D 9.28 4.68 0.00 2.72 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 40 V 8.69 3.63 2.05 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 0.88 0.00 0.00 0.87 0.00 0.00 41 V 7.57 3.30 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 42 G 7.39 3.32 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 0.00 0.00 0.00 0.00 43 E 8.46 4.10 0.00 1.97 1.99 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 2.16 2.06 0.00 44 Q 7.76 3.69 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 45 A 7.12 4.00 1.28 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 0.00 0.00 46 C 7.89 2.96 0.00 1.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 3.41 0.00 1.71 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 48 M 7.68 4.33 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 49 S 8.03 4.44 0.00 3.99 3.82 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 50 A 7.72 4.35 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 51 Q 8.22 4.39 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 52 C 8.45 4.28 0.00 3.07 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00