NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3078 8.0327 110.9394 60.5789 71.5812 175.2734 3 K 3.7941 7.9254 122.2746 58.2551 32.3596 177.0127 4 G 3.8667 8.4527 105.9369 48.0909 0.0000 174.7941 5 K 3.9791 8.5164 122.1809 58.8816 32.0967 178.6649 6 A 4.0130 7.8974 120.8322 55.3770 18.4251 179.3471 7 T 3.8485 8.0740 108.5481 65.0778 68.5729 176.6429 8 V 3.6507 7.9006 122.1763 64.5130 31.1087 178.2087 9 A 4.0158 8.3360 121.6311 54.4779 18.1890 179.4794 10 F 3.9907 8.5964 119.3071 61.4076 39.5291 176.8953 11 A 4.0470 8.6049 120.9616 55.5500 18.1026 179.4638 12 R 3.7820 7.7314 116.9045 59.4962 30.1538 178.3561 13 E 3.7788 7.9396 120.0369 58.7773 29.5444 178.3530 14 A 3.7436 7.8181 121.1183 55.2429 18.2786 179.6612 15 R 3.8264 8.1080 117.2296 59.8115 29.7819 178.7305 16 T 3.8638 7.8376 109.6003 64.8398 68.3717 175.9132 17 E 3.9162 7.9819 122.1729 58.9226 29.6219 178.9511 18 V 3.5706 7.4295 119.2657 65.1267 31.1393 178.0543 19 R 3.8901 7.6875 118.3191 59.0061 29.7277 177.9729 20 K 4.0723 7.7516 118.9192 59.3445 32.3092 178.9539 21 V 4.0276 7.5814 117.9592 63.7035 32.0986 176.5264 22 I 4.1489 7.8785 120.6539 59.8828 37.3356 173.3573 23 W 4.5817 8.8515 135.0000 57.6088 38.9200 177.0163 24 P 3.2717 0.0000 0.0000 61.5511 33.6278 180.4927 25 T 2.8096 8.4522 114.3683 63.8366 70.2488 173.5743 26 R 4.1915 5.8400 126.1674 55.2725 32.6736 174.0044 27 K 3.0560 6.4989 113.8952 56.8163 31.8458 173.1945 28 P 4.3743 0.0000 0.0000 64.7126 33.2296 175.5985 29 T 4.3195 7.1163 104.6879 60.4713 70.7622 175.2236 30 K 4.4036 8.6852 129.6928 55.4658 31.2034 175.3889 31 D 4.4563 9.9403 120.8720 54.6867 47.2475 175.8537 32 E 3.8588 8.1540 120.7374 57.3369 29.2604 178.2692 33 Y 4.1102 7.8397 117.1469 60.0285 40.9818 177.8781 34 L 3.9284 8.4412 120.4505 58.6570 42.0898 178.7361 35 A 3.9345 9.0486 121.7074 54.9823 18.1960 179.5133 36 V 3.4391 7.6045 115.8678 65.2245 31.2775 178.3436 37 A 4.3513 7.6400 122.6593 53.8435 18.0296 179.0743 38 K 3.8419 8.1446 118.4630 59.5088 32.2531 179.2591 39 V 3.5496 8.2083 119.8281 64.9993 31.2159 178.3404 40 T 3.7665 8.5660 110.5936 64.5743 68.5572 176.3155 41 A 3.9531 8.2927 124.8428 54.2850 18.5109 179.2592 42 L 3.9640 8.6690 119.6671 58.1936 42.1311 179.5534 43 G 3.5494 8.3300 105.8604 47.9149 0.0000 175.5817 44 I 3.7229 7.8683 121.5337 63.5215 37.8169 177.9535 45 S 4.0380 8.2646 114.3417 61.1039 62.2010 175.7860 46 L 4.0682 7.7329 122.5837 58.1841 42.0285 178.6137 47 L 4.0602 7.9668 120.3457 58.1457 42.0128 179.2494 48 G 3.5877 8.5791 106.0568 47.6475 0.0000 175.5028 49 I 3.6560 8.5165 122.2904 63.8899 38.0772 177.5816 50 I 3.7725 8.2266 120.0256 64.3192 37.6112 177.9828 51 G 3.6592 8.1008 106.0868 47.7542 0.0000 175.1608 52 Y 4.1881 7.7557 120.9797 60.5272 39.0027 177.2130 53 I 3.8552 7.9163 118.3875 64.3735 38.1238 177.2982 54 I 3.8603 7.6813 117.9066 63.8543 38.5840 177.7718 55 H 4.5778 10.0466 123.0487 56.6553 30.1040 180.5427 56 V 2.8384 9.6093 111.9517 61.3379 34.6979 177.7382 57 P 3.5502 0.0000 0.0000 63.7271 34.3381 177.9388 58 A 3.9274 8.3686 121.1330 54.9945 18.5586 180.6848 59 T 3.6758 7.9260 107.6026 64.5144 69.4140 175.1435 60 Y 3.9936 7.7482 122.4490 59.8391 38.7756 177.5807 61 I 3.7838 11.1000 119.5302 63.7630 37.8232 177.7386 62 K 3.9905 8.1311 118.9644 59.4087 31.5900 179.0903 63 G 3.6518 7.6771 104.4221 46.8920 0.0000 175.0301 64 I 3.9253 7.0749 117.5570 61.5165 38.1639 175.5526 65 L 4.6517 7.4889 117.6657 54.7876 43.6212 175.8627 66 K 4.1093 7.5923 122.7564 57.3169 32.0320 176.2430 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 T 8.03 4.31 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 3 K 7.93 3.79 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 4 G 8.45 3.87 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 0.00 0.00 0.00 5 K 8.52 3.98 0.00 1.80 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 6 A 7.90 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 3.85 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 1.22 0.00 0.00 8 V 7.90 3.65 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 1.01 0.00 0.00 0.95 0.00 0.00 9 A 8.34 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 10 F 8.60 3.99 0.00 3.23 3.23 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 11 A 8.60 4.05 1.44 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 0.00 0.00 12 R 7.73 3.78 0.00 1.83 2.12 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 13 E 7.94 3.78 0.00 1.89 1.72 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 2.07 2.05 0.00 14 A 7.82 3.74 1.09 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 0.00 0.00 0.00 0.00 0.00 15 R 8.11 3.83 0.00 1.94 2.09 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 16 T 7.84 3.86 4.20 0.00 0.00 0.00 0.00 0.00 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 17 E 7.98 3.92 0.00 2.02 2.15 0.00 0.00 0.00 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 18 V 7.43 3.57 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 0.88 0.00 0.00 0.95 0.00 0.00 19 R 7.69 3.89 0.00 1.86 2.22 0.00 3.27 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 20 K 7.75 4.07 0.00 1.77 2.05 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.36 7.81 21 V 7.58 4.03 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 0.92 0.00 0.00 0.96 0.00 0.00 22 I 7.88 4.15 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 1.02 0.00 0.00 23 W 8.85 4.58 0.00 3.35 3.06 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 24 P 0.00 3.27 0.00 2.16 2.01 0.00 3.86 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.40 0.00 25 T 8.45 2.81 4.23 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 1.21 0.00 0.00 26 R 5.84 4.19 0.00 1.38 1.88 0.00 3.29 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 27 K 6.50 3.06 0.00 1.89 0.74 0.00 0.80 0.00 0.00 1.26 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.21 1.58 7.81 28 P 0.00 4.37 0.00 2.60 2.27 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 T 7.12 4.32 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 1.17 0.00 0.00 30 K 8.69 4.40 0.00 1.70 1.81 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.42 7.81 31 D 9.94 4.46 0.00 2.61 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 32 E 8.15 3.86 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 2.33 2.25 0.00 33 Y 7.84 4.11 0.00 3.01 2.83 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 34 L 8.44 3.93 0.00 1.90 1.75 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 A 9.05 3.93 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 36 V 7.60 3.44 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 0.45 0.00 0.00 0.81 0.00 0.00 37 A 7.64 4.35 1.24 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 0.00 0.00 0.00 38 K 8.14 3.84 0.00 1.90 1.98 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 39 V 8.21 3.55 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 0.85 0.00 0.00 0.91 0.00 0.00 40 T 8.57 3.77 4.20 0.00 0.00 0.00 0.00 0.00 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 41 A 8.29 3.95 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 42 L 8.67 3.96 0.00 1.81 1.87 0.91 0.95 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 43 G 8.33 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.72 1.86 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 1.40 1.24 0.96 0.00 0.00 45 S 8.26 4.04 0.00 4.00 4.01 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 46 L 7.73 4.07 0.00 1.83 1.81 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.97 4.06 0.00 1.82 1.65 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.58 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 3.66 1.93 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 1.45 1.57 0.99 0.00 0.00 50 I 8.23 3.77 1.94 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 1.48 1.20 1.01 0.00 0.00 51 G 8.10 3.66 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 0.00 0.00 0.00 52 Y 7.76 4.19 0.00 2.99 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 53 I 7.92 3.86 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 1.02 0.00 0.00 54 I 7.68 3.86 1.88 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 1.40 0.93 1.05 0.00 0.00 55 H 10.05 4.58 0.00 3.19 2.65 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.61 2.84 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 -0.48 0.00 0.00 0.78 0.00 0.00 57 P 0.00 3.55 0.00 2.23 2.40 0.00 3.20 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.16 0.00 58 A 8.37 3.93 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 59 T 7.93 3.68 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 60 Y 7.75 3.99 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 11.10 3.78 1.94 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 1.52 1.22 0.92 0.00 0.00 62 K 8.13 3.99 0.00 1.80 1.83 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 63 G 7.68 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.07 3.93 1.38 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 1.30 0.69 0.88 0.00 0.00 65 L 7.49 4.65 0.00 1.56 1.69 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.59 4.11 0.00 2.10 1.63 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.36 7.81