NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3061 8.1693 120.6254 55.0566 43.2966 175.2433 2 T 4.5459 7.6706 108.6477 58.3107 73.0391 172.6252 3 K 4.0681 8.8669 121.8649 60.1604 32.3810 179.8688 4 C 3.5080 7.7789 117.9222 59.7540 43.6036 175.4595 5 Q 3.8487 7.8888 118.9090 58.8104 28.2927 178.7593 6 E 3.7350 8.5932 120.0564 59.5236 29.5741 179.1414 7 E 4.0448 8.4290 118.6102 59.5902 29.3605 179.7982 8 V 3.6562 7.9416 117.6648 65.8078 31.5604 178.1162 9 S 4.2156 7.6914 114.3996 61.9010 62.8256 175.9846 10 H 4.7410 8.3464 117.9812 57.2067 28.7020 175.5141 11 I 4.1284 7.8828 122.6229 58.9611 36.1632 173.8339 12 P 4.4732 0.0000 0.0000 61.7227 32.0555 177.4094 13 A 3.8459 8.4362 121.3328 55.0525 18.5494 178.7798 14 V 3.9803 7.0125 117.0977 63.0205 30.7201 176.2230 15 H 4.5232 8.0546 114.8820 55.3990 29.6035 172.7110 16 P 4.1767 0.0000 0.0000 65.5892 30.9691 175.6494 17 G 4.1646 8.9588 111.7280 45.4584 0.0000 172.6250 18 S 4.8878 8.2694 113.0712 56.3572 66.4023 173.2335 19 F 4.0718 8.0291 122.1916 57.5382 39.7736 174.5026 20 R 3.8819 6.5350 124.7060 53.5197 32.5559 173.0974 21 P 4.7294 0.0000 0.0000 62.5157 33.0134 175.1529 22 K 4.7233 9.4077 117.6758 55.0843 36.5164 175.2593 23 C 5.5908 8.6054 118.8608 55.4093 44.6323 173.2787 24 D 4.7231 8.7736 121.5098 51.4981 41.0768 176.9837 25 E 4.1479 8.6476 115.5728 58.1575 29.1363 176.9069 26 N 4.8491 8.5542 117.0785 52.7924 39.4642 175.8309 27 G 3.8816 8.3391 105.2513 46.0505 0.0000 174.2767 28 N 4.7162 7.6906 117.2121 51.9763 39.7336 173.9466 29 Y 4.5211 8.5736 118.3303 58.0843 38.4743 176.6797 30 L 4.0623 8.9122 124.9365 54.9127 42.5127 176.5345 31 P 4.7542 0.0000 0.0000 63.6196 32.4375 175.1845 32 L 5.1063 7.6659 122.1174 53.1556 44.1221 175.5199 33 Q 4.6869 8.8375 124.8781 54.1993 32.5217 174.1837 34 C 4.9394 8.2639 118.5589 55.5442 44.1595 174.8594 35 Y 4.7654 8.8202 128.8217 55.6708 37.1371 175.5211 36 G 3.9611 8.4328 113.2123 48.7191 0.0000 173.6096 37 S 4.2969 8.6170 114.8479 60.6366 62.8957 174.8408 38 I 4.3420 7.9646 110.8015 59.5173 38.1764 176.2722 39 G 3.9532 8.2563 108.8800 46.4637 0.0000 173.4450 40 Y 4.5789 7.8274 117.0267 57.7391 39.8372 174.9998 41 C 5.4494 9.3375 118.5608 55.3884 43.7745 172.7740 42 W 5.7786 8.4239 116.4274 55.5459 31.8390 173.4979 43 C 5.1483 9.2471 118.2327 56.7441 36.6861 173.3240 44 V 5.0413 8.5968 113.8862 59.5142 36.0004 175.4246 45 F 4.5330 8.9991 121.6341 56.5585 39.9132 175.0749 46 P 4.7939 0.0000 0.0000 65.8073 31.2358 178.1271 47 N 4.6349 8.2620 113.3966 53.8846 37.5847 175.8398 48 G 3.1685 8.5410 108.1794 44.8231 0.0000 173.7669 49 T 4.1301 8.3691 118.1159 62.9357 69.3536 173.8850 50 E 4.5417 8.8387 127.3484 56.5707 31.4289 175.7231 51 V 4.0888 8.8218 127.2892 61.4116 32.4916 173.5601 52 P 4.4419 0.0000 0.0000 63.7691 31.5899 175.8677 53 N 4.2889 8.9179 117.6524 54.1801 36.2338 175.3454 54 T 3.8721 7.8244 109.3692 63.6275 69.1951 173.8668 55 R 4.3611 7.8226 121.8001 57.0664 29.6906 174.8751 56 S 4.6347 9.4668 119.4087 56.4935 65.8447 174.7147 57 R 2.9628 8.2260 120.3996 56.8829 29.6924 176.6537 58 G 3.7447 6.9526 104.6034 45.5011 0.0000 172.5302 59 H 4.1684 8.3724 116.6441 56.5471 29.0883 173.9735 60 H 4.8181 7.8212 114.7956 54.9090 31.5116 173.7145 61 N 4.6507 8.3721 118.2358 52.5725 37.0844 175.1799 62 C 4.6535 7.5849 116.4856 56.5813 36.6613 175.7570 63 S 4.4106 8.3442 114.6623 58.7078 61.3457 176.2000 64 E 3.9380 8.5483 117.4333 58.1609 29.2433 177.5314 65 S 4.0723 7.7973 120.9045 58.9654 63.3400 171.7592 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 L 8.17 4.31 0.00 1.61 1.68 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.67 4.55 4.19 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 0.00 0.00 1.22 0.00 0.00 3 K 8.87 4.07 0.00 1.94 2.07 0.00 1.84 0.00 0.00 1.96 0.00 0.00 3.25 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.71 1.62 7.81 4 C 7.78 3.51 0.00 1.36 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 5 Q 7.89 3.85 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 6 E 8.59 3.74 0.00 2.17 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 2.34 2.37 0.00 7 E 8.43 4.04 0.00 2.24 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 2.44 2.54 0.00 8 V 7.94 3.66 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 0.69 0.00 0.00 0.90 0.00 0.00 9 S 7.69 4.22 0.00 3.84 3.83 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 10 H 8.35 4.74 0.00 3.07 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.88 4.13 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.90 0.00 0.00 12 P 0.00 4.47 0.00 2.21 2.19 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 13 A 8.44 3.85 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 14 V 7.01 3.98 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 0.77 0.00 0.00 0.93 0.00 0.00 15 H 8.05 4.52 0.00 3.36 3.66 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.18 0.00 2.04 2.09 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 17 G 8.96 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 0.00 0.00 0.00 0.00 18 S 8.27 4.89 0.00 3.97 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 19 F 8.03 4.07 0.00 1.68 2.63 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 0.00 0.00 0.00 0.00 20 R 6.54 3.88 0.00 1.12 0.98 0.00 3.27 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.34 0.00 21 P 0.00 4.73 0.00 2.27 2.51 0.00 3.51 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.18 0.00 22 K 9.41 4.72 0.00 1.68 1.62 0.00 1.37 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.34 7.81 23 C 8.61 5.59 0.00 2.70 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 24 D 8.77 4.72 0.00 2.86 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 25 E 8.65 4.15 0.00 2.09 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 0.00 2.28 2.28 0.00 26 N 8.55 4.85 0.00 2.91 2.80 0.00 0.00 6.84 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 27 G 8.34 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 28 N 7.69 4.72 0.00 3.11 2.98 0.00 0.00 7.28 7.17 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 29 Y 8.57 4.52 0.00 3.01 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 30 L 8.91 4.06 0.00 1.66 1.76 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.75 0.00 2.14 2.11 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.99 0.00 32 L 7.67 5.11 0.00 1.59 1.62 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.84 4.69 0.00 1.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.63 0.00 34 C 8.26 4.94 0.00 2.83 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 35 Y 8.82 4.77 0.00 3.48 3.10 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 0.00 36 G 8.43 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 0.00 0.00 0.00 37 S 8.62 4.30 0.00 4.31 4.17 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 38 I 7.96 4.34 1.75 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.81 0.68 0.00 0.00 39 G 8.26 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 40 Y 7.83 4.58 0.00 3.07 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 41 C 9.34 5.45 0.00 2.80 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 42 W 8.42 5.78 0.00 3.36 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 43 C 9.25 5.15 0.00 2.86 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 5.04 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 1.24 0.00 0.00 1.06 0.00 0.00 45 F 9.00 4.53 0.00 3.15 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 46 P 0.00 4.79 0.00 2.29 2.22 0.00 3.81 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 47 N 8.26 4.63 0.00 2.87 3.02 0.00 0.00 6.34 6.97 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 48 G 8.54 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 0.00 0.00 0.00 49 T 8.37 4.13 4.51 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 0.00 0.00 1.28 0.00 0.00 50 E 8.84 4.54 0.00 1.70 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 1.74 0.00 51 V 8.82 4.09 1.94 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 0.76 0.00 0.00 0.09 0.00 0.00 52 P 0.00 4.44 0.00 2.11 2.03 0.00 4.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 53 N 8.92 4.29 0.00 2.88 2.93 0.00 0.00 7.08 7.54 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 54 T 7.82 3.87 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 1.18 0.00 0.00 55 R 7.82 4.36 0.00 1.98 2.02 0.00 3.40 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.70 0.00 56 S 9.47 4.63 0.00 3.92 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 57 R 8.23 2.96 0.00 1.59 1.75 0.00 3.47 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.44 0.00 58 G 6.95 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 59 H 8.37 4.17 0.00 3.07 3.16 0.00 5.92 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.82 4.82 0.00 3.20 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.37 4.65 0.00 2.72 2.83 0.00 0.00 6.94 7.66 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 62 C 7.58 4.65 0.00 2.96 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 63 S 8.34 4.41 0.00 3.89 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 64 E 8.55 3.94 0.00 1.95 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 2.31 2.45 0.00 65 S 7.80 4.07 0.00 3.99 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