NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3008 8.2493 123.5820 50.9695 19.8431 176.5620 7 P 4.2814 0.0000 0.0000 61.2837 31.8551 174.5861 8 D 4.8128 8.9277 123.4718 51.7978 43.0703 177.4544 9 F 4.0550 8.9624 119.3958 62.4570 39.0513 177.2434 10 H 4.3468 8.1273 115.0266 58.8837 28.3152 177.4840 11 D 4.3092 8.1192 120.0964 57.1215 40.7394 178.7544 12 K 3.7637 7.6190 117.7524 59.0828 32.3633 178.3405 13 Y 4.6782 7.8116 114.6482 57.3208 38.6547 177.7474 14 G 3.8842 7.9949 108.2949 48.3612 0.0000 175.3627 15 N 4.3332 8.2109 118.6970 55.6528 38.4910 177.3315 16 A 3.9829 7.8946 121.5245 55.2002 18.6616 179.6137 17 V 3.5523 8.0160 116.9824 66.0444 31.5767 178.0245 18 L 3.9476 8.2087 119.8442 58.0382 41.9890 178.7033 19 A 3.9853 8.1355 120.9179 55.3856 18.4667 179.8118 20 S 4.3823 8.5409 112.5289 60.7772 63.2002 176.9102 21 G 3.6074 8.1733 109.9166 47.7052 0.0000 175.6580 22 A 4.0629 8.0716 123.6588 55.0886 18.4086 179.7394 23 T 3.8569 7.9887 114.2135 66.8095 68.5073 176.4781 24 F 4.2625 8.3059 122.3824 61.4910 39.4573 176.4162 25 C 4.0114 8.2585 118.1773 62.6338 31.3259 175.6526 26 V 3.6238 7.9612 119.2843 65.9324 31.1533 177.6968 27 A 4.0269 8.1447 120.6335 55.3577 18.2270 180.0857 28 V 3.5420 7.7949 117.7852 64.6386 31.3022 178.6446 29 W 3.8725 8.3862 119.6828 59.4122 28.8086 178.6764 30 V 3.6676 8.2352 118.4656 66.0648 30.8531 177.5083 31 Y 4.0005 8.2054 119.2776 60.9645 38.4898 177.5840 32 M 3.8585 8.1687 117.7431 58.6273 32.3848 177.7663 33 A 4.6954 8.3681 120.1862 54.2765 18.7231 177.9513 34 T 4.5738 7.7226 104.2640 61.2510 70.2901 174.6211 35 Q 4.4037 8.1109 119.9307 55.5659 29.3998 175.7025 36 I 4.2091 7.5637 109.9657 60.3505 37.9612 176.0962 37 G 3.8348 8.2871 107.3535 45.9647 0.0000 173.8155 38 I 3.4808 7.3924 120.2803 60.7054 37.4356 175.2523 39 E 4.2810 8.2488 126.4891 54.6729 29.2078 175.6396 40 W 4.1799 8.7145 127.1322 57.2408 30.2216 176.0495 41 N 4.1835 8.3718 116.2494 53.9484 36.6488 170.7705 42 P 4.5988 0.0000 0.0000 61.8659 33.0358 176.6003 43 S 4.2582 8.2899 113.3191 57.7578 62.9485 172.4540 44 P 4.3087 0.0000 0.0000 64.9431 31.4993 176.5726 45 V 3.6648 7.1926 118.2096 64.5969 31.3141 176.4134 46 G 4.0686 9.0658 115.3735 45.5127 0.0000 173.5650 47 R 4.4437 8.2702 114.5840 55.9750 31.5101 176.1267 48 V 4.1670 7.6503 117.2377 61.2230 32.9177 174.8665 49 T 4.3737 8.2664 123.7745 61.2576 68.6186 172.9305 50 P 4.2698 0.0000 0.0000 62.9429 31.8667 175.8513 51 K 4.6777 8.3520 122.7569 53.9025 34.9014 175.3900 52 E 4.0523 8.8488 124.1474 56.8398 29.8594 176.9028 53 W 4.6811 8.0371 118.7569 57.2079 30.5198 175.4397 54 R 3.4638 6.2442 122.3129 56.0274 29.3225 175.6891 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 6 A 8.25 4.30 1.27 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 0.00 0.00 7 P 0.00 4.28 0.00 2.20 2.04 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 8 D 8.93 4.81 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.96 4.05 0.00 3.19 2.95 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 10 H 8.13 4.35 0.00 3.38 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.12 4.31 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 12 K 7.62 3.76 0.00 0.88 0.74 0.00 1.41 0.00 0.00 1.35 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.17 1.39 7.81 13 Y 7.81 4.68 0.00 2.21 2.60 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 0.00 0.00 0.00 14 G 7.99 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 15 N 8.21 4.33 0.00 2.74 2.89 0.00 0.00 6.88 7.10 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 16 A 7.89 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.02 3.55 2.31 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 1.08 0.00 0.00 1.09 0.00 0.00 18 L 8.21 3.95 0.00 1.84 1.82 0.95 1.00 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 19 A 8.14 3.99 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 20 S 8.54 4.38 0.00 4.07 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 21 G 8.17 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.06 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 23 T 7.99 3.86 4.33 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 1.28 0.00 0.00 24 F 8.31 4.26 0.00 3.18 3.38 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 25 C 8.26 4.01 0.00 3.33 3.15 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 0.00 0.00 0.00 26 V 7.96 3.62 2.12 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 1.06 0.00 0.00 0.96 0.00 0.00 27 A 8.14 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.54 1.54 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 0.38 0.00 0.00 0.70 0.00 0.00 29 W 8.39 3.87 0.00 3.54 3.36 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 30 V 8.24 3.67 2.38 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.21 4.00 0.00 3.11 3.08 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 0.00 0.00 0.00 32 M 8.17 3.86 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 33 A 8.37 4.70 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 4.57 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 1.24 0.00 0.00 35 Q 8.11 4.40 0.00 0.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.13 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 36 I 7.56 4.21 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.54 0.65 0.00 0.00 37 G 8.29 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 0.00 0.00 0.00 38 I 7.39 3.48 1.60 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.39 -0.26 0.00 0.00 39 E 8.25 4.28 0.00 1.82 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 2.21 2.35 0.00 40 W 8.71 4.18 0.00 3.36 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 41 N 8.37 4.18 0.00 2.84 2.86 0.00 0.00 7.21 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 42 P 0.00 4.60 0.00 2.24 2.10 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.29 4.26 0.00 3.86 3.81 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 44 P 0.00 4.31 0.00 2.22 2.08 0.00 3.68 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 2.11 2.07 0.00 45 V 7.19 3.66 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.07 4.07 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 0.00 0.00 0.00 47 R 8.27 4.44 0.00 1.84 2.01 0.00 3.07 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 48 V 7.65 4.17 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.27 4.37 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 1.23 0.00 0.00 50 P 0.00 4.27 0.00 2.08 2.07 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 51 K 8.35 4.68 0.00 1.70 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.85 4.05 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 53 W 8.04 4.68 0.00 3.55 3.19 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 54 R 6.24 3.46 0.00 0.67 1.11 0.00 3.18 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.98 0.00