NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3508 8.1933 116.7968 61.0832 64.3840 173.6160 3 R 3.3722 7.9209 112.9333 56.6364 27.9925 171.4275 4 V 4.2082 7.3430 111.8165 59.8428 33.7556 175.8776 5 C 3.9409 8.4703 125.4771 60.9219 31.6899 174.2295 6 Q 4.1092 8.3988 124.1613 56.8181 28.1303 174.7093 7 V 3.8016 7.7805 115.2228 63.8597 31.7514 176.6414 8 T 4.3478 7.7456 106.8591 60.1729 69.9233 174.8294 9 G 3.8453 8.3228 109.6408 45.3535 0.0000 173.4654 10 K 3.7701 7.7220 119.7089 57.0968 32.1219 176.7326 11 R 4.6337 8.2727 122.6888 53.4192 32.5507 173.8724 12 P 4.8407 0.0000 0.0000 61.9973 31.6664 176.7647 13 V 4.2494 8.5060 118.5734 60.9505 33.6756 175.2400 14 T 4.7109 8.0722 112.3138 60.2242 71.4121 174.3182 15 G 4.3387 7.7797 107.4043 46.4360 0.0000 171.8588 16 N 5.5199 8.8211 118.2592 51.7032 42.6396 174.3594 17 N 4.2425 9.6493 118.8565 55.3306 39.5002 176.6485 18 R 4.1512 7.8663 116.5291 57.1524 27.5801 174.0393 19 S 4.3283 7.3253 119.7102 57.9548 64.5902 173.5856 20 H 3.8952 8.5972 119.4928 57.3353 29.8043 175.0531 21 A 3.5566 8.2768 121.4514 51.6826 16.0591 177.5197 22 L 3.6039 7.1299 114.0171 56.3840 40.0387 174.8884 23 N 4.7458 7.7734 115.0388 52.4203 40.0263 175.5614 24 A 4.4837 8.5995 126.6681 52.0788 19.5525 176.9131 25 T 4.4439 8.4153 118.6214 61.2622 71.8646 173.3479 26 K 4.6322 8.7012 125.9735 56.6379 32.4307 176.3224 27 R 4.3860 8.3305 123.9922 54.6720 34.1229 175.3857 28 R 4.5460 7.6551 111.8765 55.6474 31.2419 174.5582 29 F 4.7825 9.4347 121.7913 55.5609 40.3709 174.4374 30 L 4.2743 8.2950 123.4447 54.0219 41.6286 176.5174 31 P 4.4488 0.0000 0.0000 63.0945 31.0784 174.4413 32 N 4.4038 8.4286 115.5996 54.3708 39.6062 174.3581 33 L 4.0792 7.4470 119.8516 54.7172 41.1314 174.0905 34 H 4.4908 8.8581 113.7686 55.2185 34.0100 173.2711 35 S 4.2416 8.1022 113.5515 57.9495 60.5454 170.5800 36 H 4.5655 8.0796 125.3768 54.8325 32.2463 174.1606 37 R 4.0789 7.5650 123.1087 55.3651 29.9027 175.4387 38 F 4.9218 8.4676 123.8197 55.9920 41.0893 175.8818 39 W 5.5837 9.3753 133.4697 55.9409 29.2882 176.5660 40 V 3.3327 8.4557 118.5440 62.0823 30.8221 176.2934 41 E 2.5400 5.9000 118.6719 56.2979 30.4702 176.2193 42 S 3.9710 7.7221 114.3903 61.6075 63.4818 176.0546 43 E 3.8333 7.8942 121.6069 55.9015 29.4981 178.6296 44 K 3.6888 7.7218 116.9446 57.4113 33.6872 176.9499 45 R 4.6754 7.3153 120.8061 55.2170 29.0171 176.4729 46 F 6.1919 8.8433 118.2768 57.8451 41.5130 173.2843 47 V 3.8331 7.6806 111.5544 61.9542 32.8734 175.6136 48 T 4.9722 8.7555 117.2921 59.4232 69.6973 172.7431 49 L 4.7230 8.6246 129.0426 53.9808 43.8576 176.0359 50 R 4.9308 8.4388 121.2483 55.9891 28.2616 175.6490 51 V 4.3701 8.0478 123.6385 61.9532 33.6842 174.1460 52 S 5.2580 8.4757 119.2487 56.0402 65.6626 173.4565 53 A 4.0767 8.6938 124.5557 53.7534 18.9990 177.4399 54 K 4.2776 9.1104 126.1126 57.8850 31.6087 178.4997 55 G 3.7381 7.5668 104.5669 47.8347 0.0000 175.4858 56 M 4.1996 8.0105 120.6473 58.4559 32.3005 178.4344 57 R 3.9408 8.1563 118.3574 59.2197 29.9502 179.3181 58 V 3.5908 7.3594 117.2525 65.9970 31.7463 177.8028 59 I 3.7789 7.6400 119.0154 64.6741 36.7998 177.6679 60 D 4.6009 8.0990 116.4417 55.5078 40.5924 176.9845 61 K 4.3618 7.0948 117.6315 57.9686 33.8011 177.7607 62 K 4.2115 8.6568 118.2790 59.3718 31.6983 176.0533 63 G 3.9806 7.4802 105.0147 44.8760 0.0000 174.3603 64 I 3.9654 8.6280 127.5687 64.9432 36.9322 177.8948 65 D 4.4203 7.8737 118.7457 57.3705 40.8557 178.7910 66 T 3.8509 7.5818 115.9251 66.2286 68.4674 176.9054 67 V 3.5967 8.9967 120.5067 66.0434 31.3621 178.2000 68 L 3.6027 8.1559 118.3754 56.6931 41.0331 179.3827 69 A 3.9396 7.7011 121.0183 56.4473 19.0780 178.5786 70 E 4.3282 8.3410 124.9163 54.8259 30.6585 176.7210 71 L 3.7631 9.1979 122.4454 56.9900 42.8045 176.3445 72 R 4.0152 6.9227 116.2779 59.3339 29.5999 178.9583 73 A 4.0126 7.9090 121.2748 54.9470 18.5596 179.0779 74 R 4.2458 7.7923 110.7091 56.3391 30.0041 176.8664 75 G 3.7805 8.0750 107.7442 46.4412 0.0000 173.5801 76 E 4.4163 8.1959 121.3997 54.4691 31.4512 179.3052 77 K 4.3787 8.0882 120.5480 56.7497 31.8470 176.3050 78 Y 3.9770 8.7299 118.3988 57.8961 39.4894 168.7867 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 2 S 8.19 4.35 0.00 3.91 3.94 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 3 R 7.92 3.37 0.00 1.96 2.03 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 4 V 7.34 4.21 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 0.68 0.00 0.00 0.95 0.00 0.00 5 C 8.47 3.94 0.00 3.03 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 6 Q 8.40 4.11 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 7 V 7.78 3.80 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 0.89 0.00 0.00 0.93 0.00 0.00 8 T 7.75 4.35 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 1.21 0.00 0.00 9 G 8.32 3.85 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 0.00 0.00 0.00 10 K 7.72 3.77 0.00 1.84 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 11 R 8.27 4.63 0.00 1.79 1.87 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 12 P 0.00 4.84 0.00 2.10 2.11 0.00 3.38 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 13 V 8.51 4.25 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 0.85 0.00 0.00 1.01 0.00 0.00 14 T 8.07 4.71 4.30 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 1.25 0.00 0.00 15 G 7.78 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 0.00 0.00 0.00 0.00 16 N 8.82 5.52 0.00 2.71 2.77 0.00 0.00 6.79 8.00 0.00 0.00 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 9.65 4.24 0.00 2.67 2.87 0.00 0.00 7.08 7.24 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 18 R 7.87 4.15 0.00 1.88 2.24 0.00 3.09 0.00 0.00 3.94 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 19 S 7.33 4.33 0.00 4.06 4.04 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 20 H 8.60 3.90 0.00 3.25 3.26 0.00 5.98 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.28 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.13 3.60 0.00 1.85 1.71 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.77 4.75 0.00 2.66 2.75 0.00 0.00 6.98 7.14 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 24 A 8.60 4.48 1.23 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 0.00 0.00 25 T 8.42 4.44 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 1.20 0.00 0.00 26 K 8.70 4.63 0.00 1.63 1.77 0.00 2.14 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.41 7.81 27 R 8.33 4.39 0.00 1.57 1.47 0.00 2.21 0.00 0.00 2.60 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.53 0.00 28 R 7.66 4.55 0.00 1.93 1.87 0.00 2.94 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 29 F 9.43 4.78 0.00 2.93 3.05 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 30 L 8.29 4.27 0.00 1.77 1.68 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.45 0.00 2.07 2.11 0.00 3.68 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 2.22 2.19 0.00 32 N 8.43 4.40 0.00 2.68 2.84 0.00 0.00 6.99 7.78 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 33 L 7.45 4.08 0.00 1.73 1.60 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.86 4.49 0.00 3.10 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.10 4.24 0.00 4.11 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 36 H 8.08 4.57 0.00 3.06 2.60 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.57 4.08 0.00 1.32 1.39 0.00 2.21 0.00 0.00 2.60 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.26 0.00 38 F 8.47 4.92 0.00 3.18 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 39 W 9.38 5.58 0.00 3.63 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 40 V 8.46 3.33 1.97 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 0.85 0.00 0.00 0.64 0.00 0.00 41 E 5.90 2.54 0.00 1.68 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 42 S 7.72 3.97 0.00 3.94 3.91 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 0.00 0.00 0.00 0.00 43 E 7.89 3.83 0.00 1.98 1.90 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 2.36 2.29 0.00 44 K 7.72 3.69 0.00 1.80 1.87 0.00 1.91 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 45 R 7.32 4.68 0.00 1.84 1.19 0.00 3.44 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 46 F 8.84 6.19 0.00 3.23 3.09 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 47 V 7.68 3.83 2.38 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 0.92 0.00 0.00 1.15 0.00 0.00 48 T 8.76 4.97 4.10 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 0.00 0.00 0.00 1.18 0.00 0.00 49 L 8.62 4.72 0.00 1.88 1.99 1.21 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.44 4.93 0.00 1.88 1.93 0.00 3.24 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 V 8.05 4.37 2.26 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 1.15 0.00 0.00 1.34 0.00 0.00 52 S 8.48 5.26 0.00 3.92 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 53 A 8.69 4.08 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 54 K 9.11 4.28 0.00 1.95 1.93 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 55 G 7.57 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.01 4.20 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.95 0.00 57 R 8.16 3.94 0.00 2.05 2.02 0.00 3.14 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 58 V 7.36 3.59 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 0.99 0.00 0.00 0.97 0.00 0.00 59 I 7.64 3.78 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.95 0.37 0.00 0.00 60 D 8.10 4.60 0.00 2.66 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 61 K 7.09 4.36 0.00 1.89 1.98 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.42 7.81 62 K 8.66 4.21 0.00 1.71 1.79 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.42 7.81 63 G 7.48 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 64 I 8.63 3.97 1.75 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 1.57 0.22 0.63 0.00 0.00 65 D 7.87 4.42 0.00 2.62 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 66 T 7.58 3.85 4.18 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 1.17 0.00 0.00 67 V 9.00 3.60 2.03 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 0.85 0.00 0.00 0.77 0.00 0.00 68 L 8.16 3.60 0.00 1.44 1.09 0.77 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.70 3.94 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 70 E 8.34 4.33 0.00 2.12 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 2.30 2.47 0.00 71 L 9.20 3.76 0.00 1.81 1.43 1.19 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.92 4.02 0.00 2.33 2.62 0.00 2.89 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.73 0.00 73 A 7.91 4.01 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.79 4.25 0.00 1.99 2.06 0.00 3.35 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 75 G 8.08 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 76 E 8.20 4.42 0.00 1.95 1.97 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 2.38 2.35 0.00 77 K 8.09 4.38 0.00 1.95 1.59 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.59 7.81 78 Y 8.73 3.98 0.00 3.10 3.05 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