NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.2076 8.3101 121.7852 55.5679 34.1925 175.3557 20 A 4.5176 7.6498 120.6560 49.5991 20.7656 174.1387 21 K 4.1264 8.6516 123.0246 56.1812 33.7083 177.0089 22 V 3.6838 7.9578 123.0967 65.2612 32.0533 177.4027 23 K 4.1373 7.7627 121.3135 59.4556 32.5330 176.8714 24 A 4.6590 7.1077 122.5485 50.3861 16.5630 177.2635 25 T 4.5648 7.2749 112.5753 63.3187 74.4783 174.1781 26 L 4.9598 7.7197 120.1132 52.6679 45.7387 178.0094 27 G 3.9402 8.5087 111.3661 45.1934 0.0000 173.4529 28 E 4.0885 8.7635 118.6192 56.5984 27.7734 175.3161 29 F 4.8931 7.8743 117.1458 54.6116 40.4789 175.8452 30 D 4.6215 8.5990 123.7351 52.8271 40.1051 176.3196 31 L 4.6423 8.5058 124.5742 56.2596 39.9724 177.5316 32 R 4.4302 8.3150 116.9991 56.4028 30.3406 174.8430 33 D 4.5902 7.7975 117.0600 52.2731 41.2956 175.7819 34 Y 4.4029 7.6565 127.5790 57.2120 38.0856 176.6421 35 R 4.6066 7.1695 115.5862 56.2626 34.4352 176.5430 36 N 4.6915 7.8722 116.8248 53.0544 34.6814 175.9165 37 V 3.5053 7.3134 119.1871 64.8660 32.2065 178.3952 38 E 3.9637 8.0186 116.1511 58.7934 29.2585 179.2404 39 V 3.6444 7.4900 118.2197 65.9594 31.7599 177.9483 40 L 3.6469 8.3168 119.0289 57.4944 41.3946 179.0694 41 K 3.9149 8.3771 118.8260 58.9614 32.1512 176.6577 42 R 4.5402 7.4404 117.7717 56.6354 31.2940 176.3336 43 F 4.6042 8.2742 112.8117 56.5424 42.8097 175.0986 44 L 5.5146 7.8257 122.1236 56.0090 41.5126 176.3795 45 S 3.7226 7.1359 118.2777 58.9862 65.7143 174.4326 46 E 4.6526 8.6677 118.3694 55.5610 31.3312 175.7897 47 T 4.7734 7.5210 108.2465 60.2356 69.7563 176.0576 48 G 4.0068 7.6307 108.8963 45.6362 0.0000 174.7518 49 K 4.0892 7.9421 119.0438 56.2410 32.6706 176.4382 50 I 4.2565 8.1177 122.4801 61.6824 37.9629 175.1173 51 L 4.8277 7.7349 123.4148 52.2524 43.7888 175.1483 52 P 4.5168 0.0000 0.0000 62.7301 32.6131 177.6441 53 R 4.2102 8.6379 118.8878 57.9723 30.2360 177.8320 54 R 4.4855 7.7044 116.4187 56.0205 30.6333 176.2447 55 R 4.5972 7.7246 118.9038 56.9539 37.1927 176.7200 56 T 4.0915 8.4486 108.0262 60.7994 69.8731 175.2346 57 G 4.2763 7.5945 109.4793 46.3021 0.0000 173.2466 58 L 4.6747 7.8120 117.3641 52.9035 43.5074 177.4788 59 S 4.4134 8.2767 115.6485 57.9110 64.6410 174.6468 60 A 3.9114 8.6139 122.9874 55.6905 17.7559 179.4670 61 K 3.7825 8.0879 116.1443 60.0841 32.2296 178.2107 62 E 3.9830 7.9515 118.3239 59.5926 29.3812 178.9678 63 Q 3.9835 8.5705 119.5238 59.6002 28.9422 179.8898 64 R 3.9054 7.7444 118.1768 59.3817 30.0970 178.9421 65 I 3.7144 7.4780 119.5156 64.2563 36.9145 178.0479 66 L 3.8365 8.1134 121.3096 58.0915 41.9086 178.7883 67 A 4.0044 7.9486 120.1557 54.9836 18.2456 179.2120 68 K 4.1806 8.2519 114.7157 58.1103 32.2727 177.5902 69 T 4.4695 7.1748 106.5309 62.6408 71.1671 176.2156 70 I 3.6241 8.1619 123.4748 64.3152 36.8487 178.2648 71 K 3.7760 7.9231 117.7622 59.4692 32.1643 179.0890 72 R 3.9709 7.9024 117.4152 59.3558 30.0508 178.4772 73 A 4.0527 8.0273 120.1127 55.5753 18.3896 179.6304 74 R 4.3814 7.9351 117.5846 59.1313 29.8781 179.3740 75 I 4.0382 7.6145 118.3139 64.0625 37.0872 177.6204 76 L 4.3280 8.0812 118.0473 54.8595 41.2620 178.6776 77 G 4.0845 8.3812 108.7003 45.6027 0.0000 175.9052 78 L 3.8092 7.4417 118.4723 56.8685 41.9960 177.0292 79 L 4.8778 7.4800 117.3252 51.9142 45.2943 174.3593 80 P 5.1563 0.0000 0.0000 62.4205 32.7081 175.5874 81 F 4.4741 8.3585 114.8161 57.9787 41.2571 175.8021 82 T 4.3256 7.6308 112.0753 62.0123 69.6627 171.4624 83 E 4.7393 8.3759 123.0573 54.7311 32.7301 175.0827 84 K 4.1679 8.5375 122.2124 55.8805 32.8183 176.6421 85 L 3.9799 8.4388 124.4638 55.4135 42.5307 176.3462 86 V 4.1493 8.1351 124.8811 61.8151 33.4058 171.5773 87 R 3.7085 8.6680 132.6018 55.8354 30.1830 175.8254 88 K 4.1608 8.5440 124.8316 56.5292 32.4603 175.3871 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 19 K 8.31 4.21 0.00 1.70 1.89 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.65 4.52 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.65 4.13 0.00 1.79 1.73 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.36 7.81 22 V 7.96 3.68 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.80 0.00 0.00 23 K 7.76 4.14 0.00 2.11 1.82 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.50 7.81 24 A 7.11 4.66 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 25 T 7.27 4.56 4.38 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 1.20 0.00 0.00 26 L 7.72 4.96 0.00 2.07 1.86 0.72 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.51 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 0.00 0.00 0.00 28 E 8.76 4.09 0.00 1.98 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 2.29 2.30 0.00 29 F 7.87 4.89 0.00 3.01 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 30 D 8.60 4.62 0.00 2.79 2.66 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 31 L 8.51 4.64 0.00 1.87 2.25 1.00 0.52 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 32 R 8.32 4.43 0.00 1.77 2.29 0.00 3.25 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 33 D 7.80 4.59 0.00 2.82 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.66 4.40 0.00 3.09 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 35 R 7.17 4.61 0.00 1.62 1.86 0.00 3.13 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 36 N 7.87 4.69 0.00 2.73 2.70 0.00 0.00 6.87 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 37 V 7.31 3.51 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 0.92 0.00 0.00 0.93 0.00 0.00 38 E 8.02 3.96 0.00 1.92 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 2.31 2.35 0.00 39 V 7.49 3.64 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 0.69 0.00 0.00 0.90 0.00 0.00 40 L 8.32 3.65 0.00 1.61 1.57 0.90 0.23 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 41 K 8.38 3.91 0.00 1.90 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.54 7.81 42 R 7.44 4.54 0.00 1.67 1.91 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 43 F 8.27 4.60 0.00 3.22 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 5.51 0.00 1.76 1.63 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.14 3.72 0.00 4.05 3.70 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 0.00 0.00 0.00 0.00 46 E 8.67 4.65 0.00 1.92 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 0.00 2.19 2.20 0.00 47 T 7.52 4.77 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 48 G 7.63 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 0.00 0.00 0.00 49 K 7.94 4.09 0.00 1.84 1.75 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.47 7.81 50 I 8.12 4.26 1.88 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 1.31 0.71 0.95 0.00 0.00 51 L 7.73 4.83 0.00 1.65 1.56 0.91 0.99 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 52 P 0.00 4.52 0.00 2.07 1.98 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 53 R 8.64 4.21 0.00 1.89 1.99 0.00 3.41 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 54 R 7.70 4.49 0.00 1.80 1.94 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 55 R 7.72 4.60 0.00 1.89 1.84 0.00 3.24 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 56 T 8.45 4.09 4.39 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 1.37 0.00 0.00 57 G 7.59 4.28 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 58 L 7.81 4.67 0.00 1.71 1.73 1.22 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.28 4.41 0.00 4.07 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 60 A 8.61 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 3.78 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.56 7.81 62 E 7.95 3.98 0.00 2.34 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 2.33 2.33 0.00 63 Q 8.57 3.98 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 64 R 7.74 3.91 0.00 2.04 1.95 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 65 I 7.48 3.71 1.88 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 1.40 1.21 0.92 0.00 0.00 66 L 8.11 3.84 0.00 1.74 1.73 0.34 1.17 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 67 A 7.95 4.00 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 68 K 8.25 4.18 0.00 1.85 1.87 0.00 1.52 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 69 T 7.17 4.47 4.31 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 1.31 0.00 0.00 70 I 8.16 3.62 1.91 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 1.38 0.97 0.84 0.00 0.00 71 K 7.92 3.78 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.45 7.81 72 R 7.90 3.97 0.00 1.99 1.75 0.00 3.05 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 73 A 8.03 4.05 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 74 R 7.94 4.38 0.00 1.65 1.71 0.00 2.89 0.00 0.00 2.70 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.00 75 I 7.61 4.04 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.77 0.94 0.00 0.00 76 L 8.08 4.33 0.00 1.89 1.74 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.38 4.08 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 0.00 0.00 0.00 78 L 7.44 3.81 0.00 1.70 1.79 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.48 4.88 0.00 1.62 1.50 0.90 0.88 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 80 P 0.00 5.16 0.00 2.24 2.13 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 81 F 8.36 4.47 0.00 2.94 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 82 T 7.63 4.33 4.31 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 1.28 0.00 0.00 83 E 8.38 4.74 0.00 2.15 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 2.31 2.44 0.00 84 K 8.54 4.17 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.38 7.81 85 L 8.44 3.98 0.00 1.59 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.14 4.15 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 0.85 0.00 0.00 0.98 0.00 0.00 87 R 8.67 3.71 0.00 1.97 1.92 0.00 3.23 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 88 K 8.54 4.16 0.00 1.71 1.61 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81