NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3549 8.1476 120.3258 56.1384 33.5425 175.4686 2 K 3.4985 9.2028 113.0047 56.6263 32.2537 174.2436 3 A 3.9927 9.0811 130.5285 54.3956 18.2810 181.9900 4 K 3.9349 8.0000 112.5903 59.4581 32.1618 177.9172 5 E 4.0961 7.7254 116.9136 57.7694 29.7217 176.9372 6 L 4.6804 7.9574 117.3783 54.7582 42.2691 178.2983 7 R 3.9940 8.0655 119.3215 58.7591 30.0688 177.6622 8 E 4.0178 8.2331 114.9446 58.3595 28.1743 177.4473 9 K 4.0325 7.6913 122.2505 56.2605 32.6508 177.6128 10 S 4.3437 8.6615 120.4605 60.4471 62.7250 174.1320 11 V 4.5235 7.0164 117.1502 59.9607 34.4291 174.5190 12 E 4.5373 8.3470 120.4648 54.9157 31.1422 177.2812 13 E 4.0983 8.5574 119.2801 58.9557 29.6131 179.3966 14 L 4.0359 7.8655 117.7917 56.9021 41.7752 177.7012 15 N 4.3647 8.1546 116.8416 54.9956 39.1518 175.1525 16 T 4.6412 8.0014 123.1630 62.5519 66.8962 173.2399 17 E 4.0089 8.0223 121.9880 59.7681 29.1251 178.5782 18 L 3.8518 7.7756 119.3357 58.5810 40.3068 178.4529 19 L 4.4303 7.8210 119.7712 56.7621 42.6681 177.5950 20 N 4.2886 8.1859 115.4873 56.8605 38.9262 176.0963 21 L 4.2489 8.1253 118.1423 56.0391 41.6790 177.3397 22 L 4.6312 8.1414 117.5097 53.9197 44.0469 178.2722 23 R 4.0308 8.2135 119.3638 59.3547 30.3747 177.5168 24 E 3.8223 8.4352 118.1828 59.3551 29.4863 178.5457 25 Q 3.7259 7.1573 117.1587 58.1814 28.9657 176.8413 26 F 4.8704 7.3205 113.7637 57.0465 40.7276 175.4394 27 N 4.9538 8.1788 116.6813 53.3338 40.9795 174.8373 28 L 4.6823 8.2504 115.8436 55.3353 44.2710 178.2561 29 R 4.0534 8.0007 115.0778 57.2489 30.0429 176.0842 30 M 4.1446 7.2588 115.4202 54.4659 31.6618 174.7720 31 Q 3.7239 8.6827 117.1692 56.7966 28.4664 178.0610 32 A 4.2781 9.0212 122.8723 51.7798 17.0618 178.4431 33 A 4.1427 7.6812 118.3189 53.9918 18.5890 178.7385 34 S 4.4362 8.7860 108.5547 57.8469 64.1929 174.1259 35 G 4.2648 6.4205 110.4908 45.1885 0.0000 172.8613 36 Q 4.6562 8.7641 113.9339 56.3348 32.1516 175.3481 37 L 4.7814 7.7964 114.7763 54.3075 45.0198 176.3265 38 Q 4.3198 8.1354 113.9318 56.6912 30.8224 175.2349 39 Q 4.6711 7.8193 114.7736 54.0809 30.8954 173.6892 40 S 4.4152 7.6071 112.9571 58.3889 68.1371 174.1797 41 H 4.7531 7.9544 115.9665 55.3034 30.3914 178.1276 42 L 3.2559 8.0254 115.9150 56.7160 42.0201 176.6358 43 L 4.0374 7.8292 118.5759 57.8324 40.3752 177.9458 44 K 4.4443 7.7858 117.1653 57.1069 34.5117 177.1578 45 Q 4.0907 8.4077 117.0446 58.6428 28.6406 176.8365 46 V 4.0776 7.2200 115.7365 63.6603 32.9515 177.5712 47 R 4.3624 8.1834 117.4324 55.2271 29.7070 178.2256 48 R 4.0423 8.5279 122.4846 59.5153 30.8279 179.6964 49 D 4.4309 7.6691 117.6551 55.7181 40.5808 179.0927 50 V 3.6168 8.0450 119.4497 65.5436 31.6880 177.3777 51 A 4.0657 7.5786 119.0816 55.5701 18.2061 179.6537 52 R 3.9333 7.6721 114.9917 59.3893 29.9858 179.3207 53 V 3.7366 7.4884 116.8610 65.5287 31.2603 177.7573 54 K 4.0262 7.7772 118.2721 58.6300 32.1805 178.7343 55 T 4.0902 7.7637 110.0252 64.7306 69.3034 176.2300 56 L 3.8826 7.4283 122.7752 57.5916 41.8794 178.8289 57 L 3.9578 8.1816 120.1504 58.1789 42.0074 178.6524 58 N 4.3012 8.1139 116.0006 56.5867 38.2251 176.1545 59 E 3.9579 8.5165 120.7347 59.6683 29.3938 178.9285 60 K 3.9169 8.7579 118.9017 59.5874 32.3780 179.0437 61 A 4.2250 8.1855 120.3840 54.9340 18.3154 179.5171 62 G 3.6762 7.6254 101.9484 47.1869 0.0000 173.6873 63 A 4.1858 7.5440 127.3991 52.5161 18.3937 176.9532 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 8.15 4.35 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 2 K 9.20 3.50 0.00 2.05 1.92 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.50 7.81 3 A 9.08 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.93 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 5 E 7.73 4.10 0.00 2.04 2.05 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 2.32 2.32 0.00 6 L 7.96 4.68 0.00 1.85 1.62 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.07 3.99 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 8 E 8.23 4.02 0.00 2.07 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 2.28 2.31 0.00 9 K 7.69 4.03 0.00 1.95 1.72 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.38 7.81 10 S 8.66 4.34 0.00 3.87 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 11 V 7.02 4.52 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 0.77 0.00 0.00 0.93 0.00 0.00 12 E 8.35 4.54 0.00 2.09 1.90 0.00 0.00 0.00 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 2.38 0.00 13 E 8.56 4.10 0.00 2.08 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 0.00 2.40 2.40 0.00 14 L 7.87 4.04 0.00 1.64 1.74 0.93 1.00 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 15 N 8.15 4.36 0.00 2.83 2.89 0.00 0.00 7.06 7.21 0.00 0.00 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 T 8.00 4.64 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 17 E 8.02 4.01 0.00 2.25 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 0.00 2.41 2.44 0.00 18 L 7.78 3.85 0.00 1.80 2.01 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.82 4.43 0.00 1.79 1.70 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.19 4.29 0.00 2.74 2.85 0.00 0.00 7.00 7.78 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 21 L 8.13 4.25 0.00 1.73 1.70 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.14 4.63 0.00 1.76 1.63 0.99 0.56 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 23 R 8.21 4.03 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 24 E 8.44 3.82 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 25 Q 7.16 3.73 0.00 1.68 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.51 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 26 F 7.32 4.87 0.00 3.09 3.03 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 27 N 8.18 4.95 0.00 2.84 2.82 0.00 0.00 6.78 7.78 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 28 L 8.25 4.68 0.00 1.80 1.59 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.00 4.05 0.00 1.91 1.95 0.00 3.35 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.48 0.00 30 M 7.26 4.14 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 31 Q 8.68 3.72 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.18 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 32 A 9.02 4.28 1.36 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 0.00 0.00 0.00 33 A 7.68 4.14 1.33 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 0.00 0.00 34 S 8.79 4.44 0.00 3.96 4.06 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 0.00 0.00 0.00 0.00 35 G 6.42 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 0.00 0.00 0.00 0.00 36 Q 8.76 4.66 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 37 L 7.80 4.78 0.00 1.58 1.65 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.14 4.32 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 39 Q 7.82 4.67 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 40 S 7.61 4.42 0.00 3.56 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 41 H 7.95 4.75 0.00 3.17 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.03 3.26 0.00 1.75 1.72 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.83 4.04 0.00 1.71 1.79 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.79 4.44 0.00 1.67 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.41 7.81 45 Q 8.41 4.09 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 46 V 7.22 4.08 2.07 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 0.81 0.00 0.00 0.92 0.00 0.00 47 R 8.18 4.36 0.00 1.97 1.96 0.00 3.10 0.00 0.00 2.98 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 48 R 8.53 4.04 0.00 1.91 1.91 0.00 3.16 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 49 D 7.67 4.43 0.00 2.98 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 50 V 8.04 3.62 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 1.04 0.00 0.00 0.92 0.00 0.00 51 A 7.58 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 3.93 0.00 2.06 2.01 0.00 3.28 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 53 V 7.49 3.74 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 1.07 0.00 0.00 0.97 0.00 0.00 54 K 7.78 4.03 0.00 1.86 1.89 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.49 7.81 55 T 7.76 4.09 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56 L 7.43 3.88 0.00 1.79 1.86 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.18 3.96 0.00 1.85 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.11 4.30 0.00 3.02 2.85 0.00 0.00 6.73 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 59 E 8.52 3.96 0.00 2.09 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 0.00 2.31 2.51 0.00 60 K 8.76 3.92 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.54 7.81 61 A 8.19 4.23 1.37 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 0.00 0.00 62 G 7.63 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 0.00 0.00 0.00 63 A 7.54 4.19 1.28 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 0.00 0.00 0.00