NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3843 8.3001 120.3275 55.2986 33.6984 174.0424 1 A 4.4443 8.5307 120.9643 51.0679 20.8660 175.1799 2 K 5.3298 9.1905 118.8393 54.4954 36.5776 173.8466 3 W 5.3779 9.4977 122.8390 54.9014 33.3540 174.4845 4 V 4.9023 8.9552 123.9624 59.9625 33.8252 174.5553 5 C 3.4310 8.9874 125.2894 58.8185 31.6565 174.2447 6 K 4.0898 8.7741 127.0797 58.9036 31.6427 178.9697 7 I 3.9683 7.8033 120.7529 63.5235 37.4213 176.4173 8 C 4.6310 8.1542 110.6353 57.3492 31.0196 174.7269 9 G 3.9446 8.2552 108.8193 44.8373 0.0000 173.0423 10 Y 4.2998 7.8983 121.2993 58.1603 40.0735 174.7662 11 I 4.8131 7.5180 126.2958 59.5999 38.8708 174.4790 12 Y 4.3480 9.3821 130.2918 57.1635 40.0449 173.5072 13 D 4.8956 7.9475 127.1632 52.3831 42.6717 176.4579 14 E 3.8205 8.8919 126.8837 59.5771 30.0105 179.5971 15 D 4.3046 8.3970 118.5230 56.5306 41.1063 177.1979 16 A 4.2404 7.7837 121.1845 51.7550 20.1859 179.0573 17 G 3.8440 7.9862 103.8219 45.9950 0.0000 174.5193 18 D 4.9894 8.5782 111.6377 53.0888 42.8020 175.0471 19 P 4.5291 0.0000 0.0000 65.4118 32.2305 179.2003 20 D 4.5355 8.2245 117.7119 56.3396 40.8806 176.4207 21 N 4.9116 8.4448 116.1132 52.9445 39.0692 175.2330 22 G 3.8843 8.3185 104.6343 45.4248 0.0000 173.9671 23 I 4.3750 7.5776 120.6172 58.8702 38.9816 175.5007 24 S 4.5967 8.3732 120.3904 56.8867 63.8697 172.0284 25 P 4.2412 0.0000 0.0000 64.6131 31.4540 176.8831 26 G 3.8903 9.1310 110.5516 45.6669 0.0000 173.2250 27 T 4.2522 7.1857 115.5917 62.0656 69.0579 175.2325 28 K 4.4281 8.7763 126.7000 55.9443 33.1015 177.8844 29 F 3.2495 9.3646 124.3055 61.5085 38.7918 177.6596 30 E 3.8854 8.0066 115.8493 58.4605 29.4050 177.9655 31 E 4.1515 7.6722 116.9448 55.8119 30.3084 176.7100 32 L 3.7054 6.4152 119.8803 53.4333 42.3441 175.3531 33 P 4.2894 0.0000 0.0000 62.6064 31.8356 177.3004 34 D 4.3385 8.6383 120.6395 55.7777 39.3616 176.8340 35 D 4.7676 7.8427 117.2424 52.4594 39.7554 176.0396 36 W 4.1800 7.8095 130.0573 57.6898 31.1557 175.5803 37 V 4.2623 6.6719 116.4618 58.7105 35.3044 174.8709 38 C 3.6365 8.5051 121.8922 59.3452 31.4757 173.1142 39 P 4.1334 0.0000 0.0000 64.7102 31.4243 177.4346 40 I 3.9862 7.3860 119.5772 63.2900 37.6074 176.2955 41 C 4.4855 7.9667 110.8734 57.3846 30.7568 174.6698 42 G 3.7564 8.1150 108.5300 45.1435 0.0000 173.6625 43 A 4.1020 7.5950 123.3158 51.1435 19.1810 176.0372 44 P 4.8491 0.0000 0.0000 62.0183 32.6353 177.4979 45 K 4.2730 8.8455 118.4143 59.6386 32.0435 179.5591 46 S 4.3635 8.3411 112.2227 60.7921 63.0183 174.6341 47 E 4.6196 8.8158 120.1878 56.1550 29.3626 174.8878 48 F 5.3602 8.2753 117.4853 55.9393 41.4397 174.9257 49 E 4.8048 9.1225 122.0374 54.1542 32.9034 174.7173 50 K 3.3754 8.1464 127.7700 55.7294 33.0516 176.6042 51 L 4.1060 7.9740 126.0471 54.9268 41.6581 176.4928 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 0 M 8.30 4.38 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 1 A 8.53 4.44 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 2 K 9.19 5.33 0.00 1.64 1.68 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 3 W 9.50 5.38 0.00 3.30 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 4 V 8.96 4.90 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 0.75 0.00 0.00 0.96 0.00 0.00 5 C 8.99 3.43 0.00 2.48 2.77 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 6 K 8.77 4.09 0.00 1.70 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.58 7.81 7 I 7.80 3.97 1.82 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 1.42 0.74 0.89 0.00 0.00 8 C 8.15 4.63 0.00 3.05 2.99 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 0.00 0.00 0.00 9 G 8.26 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 0.00 0.00 0.00 10 Y 7.90 4.30 0.00 3.18 2.98 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 11 I 7.52 4.81 1.70 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 1.16 0.98 0.88 0.00 0.00 12 Y 9.38 4.35 0.00 3.59 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 13 D 7.95 4.90 0.00 2.62 2.33 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 14 E 8.89 3.82 0.00 2.10 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 2.79 2.67 0.00 15 D 8.40 4.30 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.24 1.26 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 0.00 0.00 0.00 17 G 7.99 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 18 D 8.58 4.99 0.00 3.25 2.87 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 19 P 0.00 4.53 0.00 2.30 2.33 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 20 D 8.22 4.54 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.44 4.91 0.00 3.03 2.83 0.00 0.00 7.16 7.19 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 22 G 8.32 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 23 I 7.58 4.38 2.10 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 0.90 0.00 0.00 24 S 8.37 4.60 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.06 2.22 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 26 G 9.13 3.89 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 0.00 0.00 0.00 27 T 7.19 4.25 4.27 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 0.00 0.00 0.00 1.09 0.00 0.00 28 K 8.78 4.43 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.41 7.81 29 F 9.36 3.25 0.00 2.06 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 0.00 0.00 0.00 30 E 8.01 3.89 0.00 1.94 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 2.39 2.51 0.00 31 E 7.67 4.15 0.00 1.94 1.88 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 2.24 2.27 0.00 32 L 6.42 3.71 0.00 0.79 0.77 -1.70 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.29 0.00 2.29 1.95 0.00 3.40 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 34 D 8.64 4.34 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.84 4.77 0.00 2.77 2.77 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 36 W 7.81 4.18 0.00 3.08 2.96 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 37 V 6.67 4.26 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 0.71 0.00 0.00 0.62 0.00 0.00 38 C 8.51 3.64 0.00 3.19 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 39 P 0.00 4.13 0.00 2.01 1.98 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.81 0.00 40 I 7.39 3.99 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.94 0.92 0.00 0.00 41 C 7.97 4.49 0.00 3.02 2.99 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 0.00 0.00 0.00 42 G 8.12 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.60 4.10 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 44 P 0.00 4.85 0.00 2.31 2.24 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 45 K 8.85 4.27 0.00 1.87 1.96 0.00 1.39 0.00 0.00 1.66 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.69 7.81 46 S 8.34 4.36 0.00 4.07 4.11 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 47 E 8.82 4.62 0.00 2.10 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 2.36 2.45 0.00 48 F 8.28 5.36 0.00 3.18 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 49 E 9.12 4.80 0.00 2.03 1.74 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 2.11 2.20 0.00 50 K 8.15 3.38 0.00 0.79 0.95 0.00 1.18 0.00 0.00 1.33 0.00 0.00 2.60 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.76 0.21 7.81 51 L 7.97 4.11 0.00 1.61 1.46 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00