NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.5940 8.0033 121.6979 57.7690 38.8625 174.3456 12 Q 4.0598 7.7844 127.0648 56.0433 29.9270 174.5875 13 T 4.1631 7.0369 113.2826 59.4907 72.0718 173.1056 14 A 3.9195 8.4651 126.7236 51.7772 18.4553 176.0396 15 P 4.5917 0.0000 0.0000 61.8045 32.3629 175.8550 16 F 4.1921 8.8145 120.6488 59.0552 39.6442 174.0711 17 D 4.4980 7.8741 125.7792 51.9237 42.6931 176.3322 18 S 3.8010 8.0761 122.0061 60.6909 62.9810 175.5163 19 R 3.8981 7.8676 119.0769 57.5480 30.2599 176.9315 20 F 5.0346 8.0248 116.5371 55.4126 39.5039 172.5836 21 P 4.8998 0.0000 0.0000 63.2250 31.6715 176.5540 22 N 4.9452 7.8013 117.3139 51.6795 40.5914 175.6413 23 Q 4.0834 8.5648 117.4666 58.6080 28.8427 176.4768 24 N 4.6487 7.5436 113.7499 53.0203 38.8144 174.2914 25 Q 4.5957 8.5157 123.7514 56.0415 29.9424 177.6264 26 T 4.1705 8.2729 117.4578 67.0294 68.3533 176.3403 27 R 4.1275 7.9839 119.9538 58.9735 30.2333 177.8616 28 N 3.1400 7.3753 116.5634 56.3777 38.9848 176.6792 29 C 4.2809 8.0786 119.7235 59.7404 41.4273 175.1067 30 W 4.3679 8.6433 129.4640 60.7527 30.2754 177.5181 31 Q 3.7703 8.9100 120.1106 59.5746 28.4708 178.4152 32 N 4.3447 8.1266 116.6826 56.1931 38.6205 176.9143 33 Y 3.5784 8.2335 121.2088 60.4980 38.8261 178.0623 34 L 3.6516 7.9059 120.2528 57.6655 41.5668 179.0362 35 D 4.0221 8.2993 119.1914 57.2282 40.6531 178.7453 36 F 4.2459 8.1934 120.8212 61.9189 39.2336 177.0184 37 H 4.0235 7.8524 114.8692 58.2059 28.2504 178.2734 38 R 3.8049 7.9414 120.5695 59.1575 29.9995 177.7812 39 C 4.0830 8.1006 118.4798 59.9244 38.7565 175.2104 40 E 3.5086 7.9972 120.9419 58.9221 28.8385 178.8968 41 K 3.7860 7.4926 119.1230 59.2302 32.4007 178.3174 42 A 4.0058 7.9658 121.2616 55.7119 18.3888 179.5667 43 M 3.9729 7.9835 116.6412 59.0315 31.8827 179.3266 44 T 4.0307 7.6213 113.7659 66.7584 68.8322 175.5552 45 A 4.0296 8.9258 124.4484 54.7047 17.8193 178.6912 46 K 4.3553 8.1507 113.4041 54.7491 33.3612 177.3699 47 G 3.8733 8.3474 110.2159 45.7914 0.0000 173.0340 48 G 4.0364 8.1250 111.2525 44.7496 0.0000 169.2223 49 D 4.6640 8.3677 118.5865 52.6305 41.9490 177.2092 50 V 3.5791 8.4461 126.5420 65.8386 31.3603 177.6355 51 S 4.2142 8.3137 113.2777 60.9371 62.4037 176.6060 52 V 3.6985 7.3473 115.7695 64.3404 31.0943 177.1043 53 C 4.6128 8.5195 115.5743 58.3401 35.6296 175.0445 54 E 3.9848 7.8836 122.2796 59.1680 29.0328 178.1299 55 W 4.2760 8.3037 127.6441 61.1922 30.4912 177.2959 56 Y 4.3505 7.5646 115.0637 61.2106 37.3060 178.7763 57 R 3.0635 8.0481 119.1401 58.9682 30.0226 178.7106 58 R 3.3127 7.2913 117.7562 58.9871 29.8989 178.8553 59 V 3.5662 7.5132 119.6052 65.6394 31.4602 177.6334 60 Y 4.3547 8.2988 117.4779 60.0881 37.4708 178.5756 61 K 3.8393 7.1282 119.7848 59.0216 32.1525 179.1793 62 S 4.2445 7.8353 114.8940 61.4967 62.8823 176.1980 63 L 4.2516 7.8216 119.8482 56.1994 42.1686 177.0842 64 C 4.3898 7.9727 116.1255 55.4754 37.3726 172.4643 65 P 4.1357 0.0000 0.0000 62.6102 32.5892 177.0413 66 I 3.6558 8.3667 123.4851 64.9791 37.1313 178.7326 67 S 4.2510 8.0375 113.9692 61.1570 62.6573 176.5013 68 W 3.4927 7.9301 122.0264 59.3970 28.7657 178.4337 69 V 3.5099 7.4928 118.0943 66.0318 31.0053 178.0180 70 S 4.1447 8.6693 113.1674 61.7086 62.3830 176.1956 71 T 3.9046 8.2678 118.8658 66.5729 68.1807 176.7473 72 W 4.7235 8.5148 121.2208 59.7566 29.1407 178.4792 73 D 4.4710 8.7693 119.4598 57.6077 40.1699 178.3499 74 D 4.4745 8.3468 119.3763 57.6431 40.7960 179.3069 75 R 4.0819 8.1620 118.0322 59.1628 29.9517 179.0550 76 R 3.9702 8.2219 117.7875 59.4850 29.8815 179.0005 77 A 4.0135 7.8255 118.6261 54.6161 18.4093 178.5197 78 E 4.2694 7.8087 116.4443 56.6854 30.0882 177.1634 79 G 4.0299 8.1086 106.7166 45.5814 0.0000 173.7481 80 T 4.4676 7.6150 108.5946 61.0816 67.5958 174.1513 81 F 4.4273 8.1629 125.7599 57.8626 39.5287 174.1520 82 P 4.1641 0.0000 0.0000 64.2585 31.8162 177.0170 83 G 3.5727 5.5542 107.1018 45.0490 0.0000 173.0867 84 K 4.3189 8.4764 122.5964 55.1771 32.5665 176.7957 85 I 4.0419 8.3375 126.3002 61.4467 37.4180 175.5670 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 11 Y 8.00 4.59 0.00 3.06 2.91 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 12 Q 7.78 4.06 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 13 T 7.04 4.16 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 1.14 0.00 0.00 14 A 8.47 3.92 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 15 P 0.00 4.59 0.00 2.38 2.24 0.00 4.05 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 16 F 8.81 4.19 0.00 3.03 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 17 D 7.87 4.50 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.08 3.80 0.00 4.01 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 19 R 7.87 3.90 0.00 0.67 1.29 0.00 2.78 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 20 F 8.02 5.03 0.00 2.96 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 21 P 0.00 4.90 0.00 2.36 2.44 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 22 N 7.80 4.95 0.00 2.86 2.87 0.00 0.00 7.12 7.74 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 23 Q 8.56 4.08 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 24 N 7.54 4.65 0.00 2.74 2.82 0.00 0.00 7.08 6.96 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 25 Q 8.52 4.60 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 26 T 8.27 4.17 4.36 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 1.45 0.00 0.00 27 R 7.98 4.13 0.00 1.98 1.97 0.00 3.34 0.00 0.00 3.50 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.92 0.00 28 N 7.38 3.14 0.00 2.25 2.72 0.00 0.00 6.84 7.65 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 29 C 8.08 4.28 0.00 3.19 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.64 4.37 0.00 3.59 3.37 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 31 Q 8.91 3.77 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 32 N 8.13 4.34 0.00 3.01 3.12 0.00 0.00 6.74 7.63 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 33 Y 8.23 3.58 0.00 3.01 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 34 L 7.91 3.65 0.00 1.50 1.39 0.28 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.30 4.02 0.00 2.28 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 4.25 0.00 3.36 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 37 H 7.85 4.02 0.00 2.93 3.08 0.00 5.86 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 38 R 7.94 3.80 0.00 1.70 1.87 0.00 3.08 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 39 C 8.10 4.08 0.00 3.07 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 40 E 8.00 3.51 0.00 1.43 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.68 0.00 41 K 7.49 3.79 0.00 1.97 1.77 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 42 A 7.97 4.01 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 43 M 7.98 3.97 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.86 0.00 44 T 7.62 4.03 4.28 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 1.19 0.00 0.00 45 A 8.93 4.03 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 46 K 8.15 4.36 0.00 1.73 1.83 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.58 7.81 47 G 8.35 3.87 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 0.00 0.00 0.00 48 G 8.13 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 0.00 0.00 0.00 49 D 8.37 4.66 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 3.58 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 1.15 0.00 0.00 0.88 0.00 0.00 51 S 8.31 4.21 0.00 4.10 4.20 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 52 V 7.35 3.70 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 0.75 0.00 0.00 1.00 0.00 0.00 53 C 8.52 4.61 0.00 3.07 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 54 E 7.88 3.98 0.00 2.14 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 0.00 2.30 2.34 0.00 55 W 8.30 4.28 0.00 3.28 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 56 Y 7.56 4.35 0.00 3.55 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 57 R 8.05 3.06 0.00 0.71 1.59 0.00 2.85 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 58 R 7.29 3.31 0.00 1.03 0.66 0.00 2.92 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 0.00 59 V 7.51 3.57 2.01 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 1.19 0.00 0.00 0.40 0.00 0.00 60 Y 8.30 4.35 0.00 3.41 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.13 3.84 0.00 1.62 1.67 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.70 1.13 7.81 62 S 7.84 4.24 0.00 4.05 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 63 L 7.82 4.25 0.00 1.70 1.74 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.97 4.39 0.00 3.28 3.11 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 0.00 0.00 0.00 0.00 65 P 0.00 4.14 0.00 1.20 1.49 0.00 2.39 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.46 0.00 66 I 8.37 3.66 1.83 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 1.67 0.63 0.90 0.00 0.00 67 S 8.04 4.25 0.00 4.07 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 68 W 7.93 3.49 0.00 3.00 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 0.00 0.00 0.00 0.00 69 V 7.49 3.51 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 1.53 0.00 0.00 1.26 0.00 0.00 70 S 8.67 4.14 0.00 3.91 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 71 T 8.27 3.90 4.16 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 1.22 0.00 0.00 72 W 8.51 4.72 0.00 3.10 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 73 D 8.77 4.47 0.00 2.97 2.82 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 74 D 8.35 4.47 0.00 2.92 2.79 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 75 R 8.16 4.08 0.00 2.35 2.22 0.00 3.38 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 76 R 8.22 3.97 0.00 1.96 1.89 0.00 2.65 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.24 0.00 77 A 7.83 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 78 E 7.81 4.27 0.00 2.13 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 0.00 2.31 2.35 0.00 79 G 8.11 4.03 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 0.00 0.00 0.00 80 T 7.61 4.47 4.28 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 1.29 0.00 0.00 81 F 8.16 4.43 0.00 3.27 3.08 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 0.00 0.00 0.00 0.00 82 P 0.00 4.16 0.00 2.02 2.01 0.00 3.04 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 83 G 5.55 3.57 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 0.00 0.00 0.00 84 K 8.48 4.32 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.46 7.81 85 I 8.34 4.04 1.85 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.79 0.00 0.00