NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5848 8.1627 120.6184 54.6947 34.1246 174.9252 2 I 4.5344 8.0986 115.1648 57.4858 42.1310 169.0216 3 V 2.8183 8.7514 126.2787 63.0977 32.0201 173.6391 4 P 4.4724 0.0000 0.0000 62.2191 33.0255 175.0197 5 V 4.1999 8.0612 121.5085 62.6887 32.6742 171.6979 6 R 4.5531 8.9737 134.3174 55.1576 30.1849 174.7027 7 C 4.0765 9.0336 117.6349 56.0655 41.5255 174.3117 8 F 3.9249 6.7124 122.7708 59.4862 40.8603 178.1696 9 S 3.9928 8.7503 111.2308 61.6126 62.9388 174.9607 10 C 4.0214 9.9922 109.5601 56.4871 40.7574 176.0363 11 G 4.7919 9.1477 124.3668 45.6948 0.0000 172.8731 12 K 3.6192 7.5436 121.8617 56.6809 32.3386 175.6494 13 V 3.8135 8.4601 119.2277 62.3288 31.8298 175.9958 14 V 4.1816 8.3982 118.0335 61.8210 33.4379 178.2720 15 G 4.0277 7.3488 108.4671 48.5306 0.0000 173.9435 16 D 4.6299 7.9847 116.2932 54.0324 40.2359 177.4200 17 K 4.3922 8.3849 119.8115 56.5880 32.4801 177.8746 18 W 4.6867 8.2677 129.5184 60.9787 30.5364 176.8424 19 E 3.7179 8.4580 117.5211 59.9127 28.7324 179.2837 20 S 4.0898 8.1125 113.5215 62.6241 63.1932 175.5567 21 Y 4.2241 8.3027 121.4842 60.7436 38.3182 177.9333 22 L 3.3926 7.6750 118.9705 58.0620 42.1792 179.4858 23 N 4.2393 8.2150 116.5548 56.4577 38.4741 176.4740 24 L 4.2234 7.9235 119.8007 57.1946 41.7223 177.7788 25 L 4.1396 7.6448 120.2673 56.7789 41.3346 178.5301 26 Q 3.8418 7.6982 122.9402 58.7435 29.4783 177.6160 27 E 4.2738 7.5011 117.8124 57.5641 30.4384 176.2399 28 D 4.5276 7.8850 114.9683 53.4444 42.1028 175.6218 29 E 3.7486 8.1137 118.4020 57.8472 27.0933 172.8110 30 L 4.8295 7.3476 116.8213 52.6090 45.8426 176.7817 31 D 4.9005 8.1065 119.1119 52.0717 42.7307 177.0173 32 E 4.1640 8.9174 120.8214 60.1367 29.4679 179.6418 33 G 3.7219 8.3739 105.2961 48.3616 0.0000 175.5040 34 T 4.1741 8.6929 112.2274 63.2265 68.5990 176.6521 35 A 4.0719 8.3160 124.6395 55.2635 18.2778 179.5770 36 L 3.7765 8.0843 117.0509 57.7303 41.9371 179.5087 37 S 4.3066 7.4733 112.3932 60.4618 63.0895 175.4967 38 R 4.0662 7.8035 119.2102 58.2798 29.9016 176.8600 39 L 4.2674 7.3092 115.6928 55.0368 42.0327 177.4284 40 G 3.9208 8.4013 106.6734 45.6132 0.0000 174.6091 41 L 4.4863 7.1522 121.8514 52.9942 40.3942 176.4829 42 K 4.1498 8.1886 121.4853 59.2430 33.6803 179.7488 43 R 3.9729 7.7079 117.6789 55.7865 31.1441 176.5730 44 Y 4.4387 7.8643 119.2452 58.6394 38.4334 177.2901 45 C 4.1286 7.5473 116.0371 61.4011 29.6398 174.8135 46 C 4.3142 7.8489 117.8082 61.7308 28.4526 175.6949 47 R 3.8008 7.6430 120.0814 59.5245 29.2354 178.5412 48 R 4.1592 7.8709 113.9412 57.9736 29.5750 178.3272 49 M 3.9815 8.4899 120.1538 58.4952 32.5581 177.6595 50 I 3.9283 7.4484 119.2806 63.8003 37.4664 177.7531 51 L 3.9812 7.9521 120.8062 58.1756 41.9585 177.7006 52 T 4.4996 7.3894 104.7857 61.5554 68.8987 174.0552 53 H 4.3925 7.8937 121.9383 56.1763 30.3783 174.7651 54 V 4.2188 7.8385 124.6513 60.8940 33.3728 176.3587 55 D 4.5411 8.3169 129.2790 53.0371 38.2544 176.3586 56 L 4.1570 7.7946 122.9878 56.9373 42.2056 178.3142 57 I 3.9452 7.9006 119.3414 64.3871 37.5796 177.3326 58 E 4.0760 7.8358 117.6072 59.5787 29.6732 179.1379 59 K 4.2851 8.0735 117.0249 58.2524 32.2794 179.2632 60 F 4.1779 8.2311 118.6392 60.6924 38.7478 177.6094 61 L 4.1425 8.0379 116.8642 57.6248 41.4156 179.1590 62 R 4.0271 7.6599 116.7116 58.5792 30.1813 176.5322 63 Y 4.1416 7.4915 115.5353 57.7575 38.1035 174.8229 64 N 4.5343 8.3260 120.8438 55.7686 39.8568 173.3377 65 P 4.4720 0.0000 0.0000 62.7762 31.4473 176.4723 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 M 8.16 4.58 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 2 I 8.10 4.53 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.83 0.00 0.00 3 V 8.75 2.82 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 0.56 0.00 0.00 0.07 0.00 0.00 4 P 0.00 4.47 0.00 1.76 1.79 0.00 3.31 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 5 V 8.06 4.20 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 0.75 0.00 0.00 0.89 0.00 0.00 6 R 8.97 4.55 0.00 1.95 1.96 0.00 3.29 0.00 0.00 3.91 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 7 C 9.03 4.08 0.00 2.94 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 8 F 6.71 3.92 0.00 3.11 2.92 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 9 S 8.75 3.99 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 10 C 9.99 4.02 0.00 3.05 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 11 G 9.15 4.79 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 12 K 7.54 3.62 0.00 1.76 1.69 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 13 V 8.46 3.81 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 0.74 0.00 0.00 0.92 0.00 0.00 14 V 8.40 4.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.86 0.00 0.00 15 G 7.35 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 16 D 7.98 4.63 0.00 2.82 2.81 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 0.00 0.00 0.00 0.00 17 K 8.38 4.39 0.00 1.98 1.92 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.42 1.45 7.81 18 W 8.27 4.69 0.00 3.37 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 19 E 8.46 3.72 0.00 2.03 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 2.51 2.42 0.00 20 S 8.11 4.09 0.00 3.98 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 21 Y 8.30 4.22 0.00 3.08 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 22 L 7.68 3.39 0.00 1.58 1.44 -0.45 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.22 4.24 0.00 2.90 2.86 0.00 0.00 7.30 7.47 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 24 L 7.92 4.22 0.00 1.88 1.66 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.64 4.14 0.00 1.59 1.39 0.34 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.70 3.84 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 27 E 7.50 4.27 0.00 2.01 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 2.23 2.30 0.00 28 D 7.88 4.53 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.75 0.00 2.04 1.96 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 2.23 2.27 0.00 30 L 7.35 4.83 0.00 1.61 1.54 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.11 4.90 0.00 2.87 2.78 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 32 E 8.92 4.16 0.00 2.18 2.30 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 2.57 2.51 0.00 33 G 8.37 3.72 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 0.00 0.00 0.00 34 T 8.69 4.17 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 1.23 0.00 0.00 35 A 8.32 4.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.78 0.00 1.98 1.74 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.47 4.31 0.00 3.94 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 38 R 7.80 4.07 0.00 1.83 1.98 0.00 3.26 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 39 L 7.31 4.27 0.00 1.74 1.70 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.40 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 0.00 0.00 0.00 41 L 7.15 4.49 0.00 1.78 1.62 0.86 0.87 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 42 K 8.19 4.15 0.00 1.86 1.93 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.40 7.81 43 R 7.71 3.97 0.00 1.84 1.96 0.00 2.89 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 44 Y 7.86 4.44 0.00 3.23 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 45 C 7.55 4.13 0.00 3.10 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.31 0.00 2.94 2.94 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 47 R 7.64 3.80 0.00 2.03 2.08 0.00 3.21 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 1.69 1.82 0.00 48 R 7.87 4.16 0.00 2.12 2.23 0.00 2.87 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 49 M 8.49 3.98 0.00 1.82 2.04 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 50 I 7.45 3.93 1.67 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 1.43 0.88 0.08 0.00 0.00 51 L 7.95 3.98 0.00 1.76 1.72 1.04 1.02 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 52 T 7.39 4.50 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 1.29 0.00 0.00 53 H 7.89 4.39 0.00 3.25 3.29 0.00 5.71 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 54 V 7.84 4.22 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 0.88 0.00 0.00 0.96 0.00 0.00 55 D 8.32 4.54 0.00 3.06 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 56 L 7.79 4.16 0.00 2.06 1.99 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.90 3.95 2.14 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 1.06 0.00 0.00 58 E 7.84 4.08 0.00 2.09 2.10 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 2.62 2.64 0.00 59 K 8.07 4.29 0.00 1.73 1.82 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.55 7.81 60 F 8.23 4.18 0.00 3.31 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 61 L 8.04 4.14 0.00 1.74 1.84 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.66 4.03 0.00 1.96 2.05 0.00 3.32 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 63 Y 7.49 4.14 0.00 2.97 2.97 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 64 N 8.33 4.53 0.00 2.70 2.80 0.00 0.00 7.07 7.69 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 65 P 0.00 4.47 0.00 2.12 1.98 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00