NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6138 8.3049 118.2139 54.9481 33.4005 175.1387 2 Y 4.2864 8.2209 113.2794 58.3495 40.1262 174.6722 3 Y 4.6524 9.0734 118.4561 57.3092 40.4292 175.2700 4 L 4.7599 7.7833 116.4445 54.3567 43.6179 176.1357 5 V 4.6932 6.8537 110.4625 60.0563 35.8149 173.7901 6 V 4.1277 8.5049 119.5433 62.1901 32.9343 169.8697 7 N 4.2285 9.5791 127.0767 53.5660 39.6068 172.5734 8 K 4.1638 8.3433 126.3461 57.8103 31.8776 177.4294 9 Q 4.5240 8.1476 119.0498 58.9513 29.2051 178.8960 10 Q 4.2669 8.0782 117.9948 59.3040 29.0646 178.4609 11 N 4.4745 8.2855 116.5821 56.1830 38.3315 177.1028 12 A 4.2196 8.6349 122.6776 54.4691 18.4758 179.2980 13 F 4.2248 8.1297 119.3781 62.0041 39.4174 176.9788 14 Y 4.0710 8.3970 115.6521 61.0064 37.4114 178.6042 15 E 4.1348 7.7930 117.8995 59.5036 29.7724 178.7706 16 V 3.7816 8.5704 117.9475 66.4824 31.5041 177.7561 17 L 4.0334 8.0112 117.0810 55.3815 41.7575 180.5757 18 N 3.8115 9.0496 114.4417 54.1471 40.0086 174.5899 19 M 4.8752 8.2504 115.5963 52.5205 36.3390 174.8757 20 P 4.3777 0.0000 0.0000 65.4809 31.6506 177.8028 21 N 4.3475 8.2035 115.0257 55.5054 39.1599 174.3250 22 L 4.7330 7.4093 119.3847 56.3598 43.4796 175.6988 23 N 4.4695 9.4943 107.5097 54.1522 36.5602 174.5570 24 E 4.4596 7.5420 113.8139 56.4699 32.1497 175.2982 25 D 4.5010 8.6278 116.1713 57.0150 43.1041 178.1130 26 Q 3.7603 8.0528 117.7466 59.3834 27.7962 179.7648 27 R 4.0613 7.7556 117.6885 58.2881 29.8790 178.0040 28 N 4.6006 8.4929 117.5976 56.7250 38.7587 176.3121 29 A 4.1160 7.9344 120.8093 54.2242 19.2606 179.4544 30 F 3.8802 8.2819 116.4642 60.8580 38.8774 177.7453 31 I 3.3341 9.0432 119.6231 64.6123 36.8540 178.2761 32 Q 3.9721 7.6681 119.8442 59.1515 28.6459 178.2284 33 S 4.1029 7.9994 115.7946 61.3689 62.9644 176.4701 34 L 4.0537 7.9848 121.7975 57.7555 41.2761 179.3220 35 K 3.8747 7.5991 118.3024 59.7085 32.0609 178.0970 36 D 4.4656 7.8307 117.9579 55.8007 41.2058 176.1705 37 D 5.0149 7.4737 114.5484 53.5665 45.0600 174.1555 38 P 4.4822 0.0000 0.0000 64.6385 32.2678 178.1837 39 S 4.0665 7.6311 113.3332 60.9189 62.4405 174.7325 40 Q 4.3246 7.8369 117.1414 56.5832 29.5239 177.4989 41 S 3.9607 7.7586 114.4828 61.2287 62.6229 176.1539 42 A 4.1228 7.9151 122.8749 54.4864 18.1668 179.3353 43 N 4.2428 8.6502 116.1115 56.4513 38.6660 177.8020 44 V 2.8417 7.5388 113.5041 64.1970 31.7144 178.5274 45 L 4.0670 7.9164 118.9120 58.6677 40.1013 178.8151 46 A 4.0160 8.2443 122.2353 55.2976 18.1066 179.5873 47 E 4.0497 8.9725 116.9413 59.2180 29.4779 179.0126 48 A 3.6322 8.8118 121.3910 55.6336 18.3735 179.6993 49 Q 4.0026 8.0675 115.8491 58.6365 28.7891 178.4902 50 K 4.0592 7.5254 120.5924 59.1341 32.4395 178.9169 51 L 3.9310 8.8526 120.3418 57.8807 41.3428 178.8706 52 N 4.3245 7.5874 115.8042 56.5611 39.1289 175.4617 53 D 4.5853 7.6838 116.7318 55.9912 41.4362 178.8142 54 V 3.6489 8.2846 119.5721 63.9698 31.1518 176.7379 55 Q 4.4747 7.6669 115.3622 55.5716 28.8074 175.7409 56 A 4.5396 7.9310 124.3002 50.4375 18.2202 175.7818 57 P 4.3473 0.0000 0.0000 65.8701 31.8991 178.3710 58 K 4.1205 7.7802 116.3182 55.2918 32.7036 176.6634 59 A 4.1627 8.4354 122.0048 52.7822 18.2344 177.6698 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 8.30 4.61 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 2 Y 8.22 4.29 0.00 2.97 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 3 Y 9.07 4.65 0.00 2.94 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 4 L 7.78 4.76 0.00 1.73 1.81 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 V 6.85 4.69 2.25 0.00 0.00 0.00 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 0.98 0.00 0.00 6 V 8.50 4.13 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 0.43 0.00 0.00 0.88 0.00 0.00 7 N 9.58 4.23 0.00 2.85 2.84 0.00 0.00 7.20 6.67 0.00 0.00 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 K 8.34 4.16 0.00 2.00 1.87 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 9 Q 8.15 4.52 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 10 Q 8.08 4.27 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 11 N 8.29 4.47 0.00 2.83 2.92 0.00 0.00 6.97 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 12 A 8.63 4.22 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 4.22 0.00 3.24 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 14 Y 8.40 4.07 0.00 3.13 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 15 E 7.79 4.13 0.00 2.31 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 2.59 0.00 16 V 8.57 3.78 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.00 0.00 0.00 17 L 8.01 4.03 0.00 1.90 1.70 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 N 9.05 3.81 0.00 2.91 2.55 0.00 0.00 7.11 7.56 0.00 0.00 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 M 8.25 4.88 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 20 P 0.00 4.38 0.00 2.04 2.11 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 21 N 8.20 4.35 0.00 2.93 2.94 0.00 0.00 6.63 7.85 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 22 L 7.41 4.73 0.00 1.55 1.37 0.76 1.00 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 23 N 9.49 4.47 0.00 2.78 3.12 0.00 0.00 6.48 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 24 E 7.54 4.46 0.00 1.87 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 25 D 8.63 4.50 0.00 2.76 2.57 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 26 Q 8.05 3.76 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 27 R 7.76 4.06 0.00 1.80 1.81 0.00 3.19 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 28 N 8.49 4.60 0.00 2.80 2.83 0.00 0.00 6.88 8.07 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 29 A 7.93 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 3.88 0.00 3.12 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 31 I 9.04 3.33 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.45 0.63 0.00 0.00 32 Q 7.67 3.97 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 33 S 8.00 4.10 0.00 3.77 3.68 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 0.00 0.00 0.00 34 L 7.98 4.05 0.00 1.98 1.75 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.60 3.87 0.00 1.76 2.02 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.58 7.81 36 D 7.83 4.47 0.00 2.84 2.69 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 0.00 0.00 0.00 0.00 37 D 7.47 5.01 0.00 2.53 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.30 2.28 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 39 S 7.63 4.07 0.00 3.83 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 40 Q 7.84 4.32 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 41 S 7.76 3.96 0.00 4.06 3.93 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 42 A 7.92 4.12 1.31 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 0.00 0.00 43 N 8.65 4.24 0.00 2.85 2.71 0.00 0.00 6.80 8.12 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 44 V 7.54 2.84 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 0.35 0.00 0.00 0.91 0.00 0.00 45 L 7.92 4.07 0.00 2.18 1.99 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.24 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 4.05 0.00 2.59 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 2.43 2.43 0.00 48 A 8.81 3.63 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 4.00 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 50 K 7.53 4.06 0.00 1.74 1.93 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 51 L 8.85 3.93 0.00 1.35 1.48 0.02 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.59 4.32 0.00 2.70 2.85 0.00 0.00 7.25 9.28 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 53 D 7.68 4.59 0.00 2.86 2.68 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 0.00 0.00 0.00 54 V 8.28 3.65 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.91 0.00 0.00 55 Q 7.67 4.47 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 56 A 7.93 4.54 1.32 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 0.00 0.00 57 P 0.00 4.35 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 58 K 7.78 4.12 0.00 1.74 1.79 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81 59 A 8.44 4.16 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