NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7462 8.0033 119.0419 56.9371 39.9799 173.7046 3 F 4.9611 8.9040 118.9650 55.8268 41.0067 172.0443 4 E 4.8498 10.1239 123.0009 54.9581 33.2220 173.6319 5 I 5.2190 8.7932 128.0282 60.0570 39.2560 174.4420 6 Y 5.0611 8.9103 123.9489 55.9466 42.1681 173.0948 7 K 5.1515 9.0077 120.0590 53.7458 34.4979 175.1377 8 D 4.8491 8.3376 125.3586 51.5381 41.2470 176.9974 9 A 3.9376 8.6656 123.1794 55.4694 18.5478 179.6637 10 K 4.0017 8.1311 114.4565 60.9571 32.1305 176.9959 11 G 3.3220 7.5087 105.4661 44.8147 0.0000 173.1322 12 E 4.4964 8.0474 119.8205 55.3315 32.5508 174.4447 13 Y 5.1676 8.0403 117.0421 56.7523 40.7259 175.3504 14 R 5.1412 8.7220 117.5470 55.0166 33.4501 173.5139 15 W 5.9195 8.3534 116.6453 54.2718 32.1993 173.9674 16 R 5.0146 8.9229 112.8656 55.4938 31.9860 173.1843 17 L 4.7730 9.0853 124.5654 53.6262 43.7452 175.2673 18 K 4.9856 8.0207 125.0085 54.4683 35.2847 176.1232 19 A 4.2907 8.4434 126.0182 51.0810 19.8954 178.0215 20 A 4.4690 8.4490 120.2634 53.4632 18.5691 177.7958 21 N 4.8173 7.8473 111.7519 52.0545 37.7854 172.4676 22 H 4.0523 8.4590 119.9258 56.0239 25.8673 173.0499 23 E 4.6508 7.6677 119.4702 54.9304 33.6151 175.1487 24 I 4.2403 8.4159 125.0671 61.6590 37.6407 175.5782 25 I 4.4002 8.6717 126.1167 62.4384 39.1659 176.2392 26 A 4.6273 7.6930 121.1019 50.9546 22.3634 175.3133 27 Q 4.5632 8.7078 120.5691 53.8638 31.5208 175.3088 28 G 3.2760 6.9889 108.7518 43.3783 0.0000 172.3408 29 E 3.8923 8.8542 122.6765 55.9851 30.1304 176.7774 30 G 3.7393 8.1323 112.1854 45.1523 0.0000 173.0333 31 Y 4.6365 8.4972 121.6703 56.0197 40.5366 177.2988 32 T 3.7960 8.7495 111.1371 64.4519 69.1596 174.6964 33 S 4.9849 7.7042 116.2704 54.8791 66.1455 174.6692 34 K 3.4612 8.1974 121.0618 58.9812 31.7115 178.7322 35 Q 3.8025 7.8024 119.7203 59.3269 29.1425 177.8269 36 N 4.2963 7.7457 116.2131 56.2450 38.5713 177.0696 37 C 3.2046 7.4679 118.9037 62.1680 31.7270 175.4287 38 Q 3.7898 7.7737 120.9857 59.1629 28.6110 177.6416 39 H 4.0503 7.9453 118.8913 58.9035 29.8849 177.1022 40 A 3.7813 7.4381 122.1781 55.0897 18.2062 179.7411 41 V 2.5799 6.9898 116.1379 65.9002 31.1972 178.0024 42 D 4.1518 7.3859 117.4679 57.1662 40.8068 178.4751 43 L 4.0196 7.5701 119.4442 57.5390 41.6450 179.4543 44 L 3.9347 7.6518 119.1994 57.5922 41.4145 179.4527 45 K 4.2586 7.6402 116.4753 58.5968 32.8140 177.7164 46 S 4.3999 7.3899 113.3929 59.1300 63.6916 174.5590 47 T 4.0249 7.4521 119.1478 63.7244 68.8051 174.2322 48 T 4.4035 8.0187 120.0215 60.0815 69.3126 175.1906 49 A 4.0155 8.4069 125.2192 54.8662 18.4094 178.7474 50 A 4.1493 7.8827 117.0281 54.1243 18.8247 177.8649 51 T 3.8817 7.4372 113.6294 62.9856 68.7826 172.6475 52 P 4.3883 0.0000 0.0000 62.7131 32.0064 176.2995 53 V 4.2204 7.9252 117.8761 61.2713 33.0078 174.7804 54 K 4.5177 8.4777 126.8565 55.0063 33.4759 176.3449 55 E 4.6314 8.3756 118.7888 54.6311 31.9465 175.7597 56 V 4.1558 8.2439 117.0208 60.4851 33.0131 175.0171 57 L 4.4187 7.6671 120.3183 54.9181 42.5042 174.3917 58 E 4.1740 8.5357 119.2289 56.1068 29.7199 175.8009 59 H 4.1308 8.3325 120.3552 57.8860 29.8327 174.5310 60 H 4.7243 7.7132 117.5913 57.9746 32.8776 173.3798 61 H 4.4460 7.7937 120.2123 56.0848 28.5740 175.4542 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 2 Y 8.00 4.75 0.00 3.12 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 3 F 8.90 4.96 0.00 3.02 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 4 E 10.12 4.85 0.00 2.16 1.93 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 2.40 2.50 0.00 5 I 8.79 5.22 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 1.03 0.00 0.00 6 Y 8.91 5.06 0.00 3.07 3.12 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 0.00 7 K 9.01 5.15 0.00 1.20 1.58 0.00 1.44 0.00 0.00 2.24 0.00 0.00 2.23 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.15 1.05 7.81 8 D 8.34 4.85 0.00 2.91 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 9 A 8.67 3.94 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 10 K 8.13 4.00 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.41 7.81 11 G 7.51 3.32 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 0.00 12 E 8.05 4.50 0.00 2.23 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 0.00 2.36 2.27 0.00 13 Y 8.04 5.17 0.00 2.82 2.90 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 0.00 0.00 0.00 14 R 8.72 5.14 0.00 1.57 1.84 0.00 2.51 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 15 W 8.35 5.92 0.00 3.57 3.27 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 0.00 16 R 8.92 5.01 0.00 1.94 2.16 0.00 3.12 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 17 L 9.09 4.77 0.00 1.84 1.48 0.70 -0.05 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 18 K 8.02 4.99 0.00 0.79 1.33 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.12 7.81 19 A 8.44 4.29 1.25 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 0.00 0.00 0.00 20 A 8.45 4.47 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 21 N 7.85 4.82 0.00 2.80 2.87 0.00 0.00 6.16 7.90 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 22 H 8.46 4.05 0.00 3.33 3.44 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.67 4.65 0.00 1.94 1.77 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 2.29 2.25 0.00 24 I 8.42 4.24 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 0.89 0.00 0.00 25 I 8.67 4.40 1.92 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 1.13 0.67 0.90 0.00 0.00 26 A 7.69 4.63 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 27 Q 8.71 4.56 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 28 G 6.99 3.28 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 0.00 29 E 8.85 3.89 0.00 1.75 1.63 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 1.95 1.89 0.00 30 G 8.13 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 31 Y 8.50 4.64 0.00 3.17 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 32 T 8.75 3.80 4.30 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 1.25 0.00 0.00 33 S 7.70 4.98 0.00 3.99 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 34 K 8.20 3.46 0.00 0.79 1.34 0.00 1.48 0.00 0.00 1.22 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 0.71 7.81 35 Q 7.80 3.80 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 36 N 7.75 4.30 0.00 2.90 2.94 0.00 0.00 6.73 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 37 C 7.47 3.20 0.00 3.03 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 38 Q 7.77 3.79 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 39 H 7.95 4.05 0.00 3.20 3.32 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.44 3.78 1.19 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 0.00 0.00 0.00 41 V 6.99 2.58 1.70 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 -0.23 0.00 0.00 0.22 0.00 0.00 42 D 7.39 4.15 0.00 2.68 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 43 L 7.57 4.02 0.00 1.71 1.61 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.65 3.93 0.00 1.50 1.63 0.42 0.51 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 45 K 7.64 4.26 0.00 1.94 1.94 0.00 1.26 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.35 7.81 46 S 7.39 4.40 0.00 3.94 4.10 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 47 T 7.45 4.02 4.42 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 1.22 0.00 0.00 48 T 8.02 4.40 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 1.25 0.00 0.00 49 A 8.41 4.02 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 50 A 7.88 4.15 1.29 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 0.00 0.00 0.00 51 T 7.44 3.88 4.32 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 1.22 0.00 0.00 52 P 0.00 4.39 0.00 2.18 2.06 0.00 3.71 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 1.99 1.96 0.00 53 V 7.93 4.22 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 0.88 0.00 0.00 0.95 0.00 0.00 54 K 8.48 4.52 0.00 1.79 1.72 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.36 7.81 55 E 8.38 4.63 0.00 2.02 1.89 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 2.17 2.30 0.00 56 V 8.24 4.16 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 0.76 0.00 0.00 0.94 0.00 0.00 57 L 7.67 4.42 0.00 1.70 1.59 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.54 4.17 0.00 2.00 1.95 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 2.33 2.31 0.00 59 H 8.33 4.13 0.00 3.07 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.71 4.72 0.00 2.73 2.81 0.00 5.80 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 7.79 4.45 0.00 3.14 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00