NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2962 8.2493 123.5814 50.9482 19.2506 176.5672 7 P 4.1486 0.0000 0.0000 62.1988 31.5963 175.1976 8 D 4.7751 8.7029 123.1103 51.6139 43.7804 177.8289 9 F 3.9418 8.7348 119.9507 62.2231 39.0406 176.7592 10 H 4.4695 8.2095 114.9467 58.9532 28.3688 177.4018 11 D 4.3218 8.3789 119.6890 57.3094 40.7784 178.7585 12 K 3.8286 7.5790 117.3580 58.9636 32.3235 178.2688 13 Y 4.8535 7.5846 114.3332 57.7231 38.4661 177.5574 14 G 3.8383 8.5456 108.1693 48.4421 0.0000 175.3101 15 N 4.2901 8.2684 117.8769 55.7186 38.6218 177.1853 16 A 3.9952 7.9839 121.5324 55.1808 18.6964 179.4064 17 V 3.5668 8.0817 116.2262 66.4969 31.5452 177.6811 18 L 3.9816 8.3904 119.9877 57.9836 41.9550 178.2508 19 A 4.0040 8.6237 120.6174 55.9696 18.3470 179.6095 20 S 4.3996 8.7227 111.4369 60.3823 63.3010 176.8026 21 G 3.6858 7.9645 109.7134 47.5811 0.0000 175.7721 22 A 4.0085 8.2171 123.2606 55.2680 18.4421 179.4829 23 T 3.8763 7.9747 114.1659 67.0114 68.5241 176.3145 24 F 4.3368 8.0565 122.1064 61.5214 39.3435 176.3972 25 C 3.9129 8.0179 117.6814 62.5517 31.2738 175.4171 26 V 3.5969 7.9761 119.3154 66.1584 31.1022 177.5084 27 A 4.0550 8.2208 120.5152 55.5582 18.2914 180.1278 28 V 3.6104 7.9535 117.3694 64.3756 31.3236 178.6845 29 W 3.7834 8.4426 120.1359 59.5030 28.9162 178.5620 30 V 3.6495 8.2679 118.6027 66.1574 30.9504 177.2837 31 Y 3.9475 8.1318 119.1900 61.0389 38.4996 177.4792 32 M 3.9776 8.1725 117.8001 58.8590 32.2696 177.8521 33 A 4.6110 8.2758 120.4678 54.6732 18.7261 178.7145 34 T 4.5360 7.8586 105.1635 61.6803 70.4293 174.9489 35 Q 4.3061 8.0555 119.4383 55.5945 29.2014 175.7529 36 I 4.2339 7.3698 110.0342 60.0374 38.1876 175.2060 37 G 3.6386 7.9939 107.0917 46.9918 0.0000 173.9969 38 I 3.8590 7.4507 119.1620 59.3901 38.4411 175.6063 39 E 4.1767 8.2389 126.4492 54.9752 29.2691 175.8346 40 W 4.2839 8.6859 126.8424 57.0899 30.2490 176.0609 41 N 4.0819 7.8547 115.4954 53.9291 36.7107 170.5686 42 P 4.6077 0.0000 0.0000 61.6681 32.6026 176.5503 43 S 4.2473 8.3845 113.0745 57.5600 62.8505 173.1196 44 P 4.4077 0.0000 0.0000 64.9762 31.5624 176.7460 45 V 3.6891 7.1823 119.5775 64.3692 31.5433 177.2868 46 G 4.0619 8.9935 114.6831 45.7180 0.0000 173.7761 47 R 4.3852 7.5531 114.5564 57.2117 31.1598 176.7949 48 V 3.9874 7.9873 117.5169 61.7055 32.4166 175.0220 49 T 4.4196 8.1618 122.5753 60.9450 69.4138 172.6780 50 P 4.2205 0.0000 0.0000 62.9460 31.5751 175.6053 51 K 4.6176 8.3650 124.3460 54.0222 34.0716 175.6694 52 E 4.1731 8.7568 124.8635 56.5339 29.9371 176.8288 53 W 4.6754 7.9806 118.2749 57.0149 30.5105 175.4204 54 R 3.4627 6.3081 122.4231 56.0354 29.3230 175.6408 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 1.28 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 7 P 0.00 4.15 0.00 2.19 2.05 0.00 3.73 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 8.70 4.78 0.00 2.95 2.89 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 0.00 0.00 0.00 9 F 8.73 3.94 0.00 3.22 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 10 H 8.21 4.47 0.00 3.30 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.38 4.32 0.00 2.73 2.68 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 12 K 7.58 3.83 0.00 0.79 0.74 0.00 1.28 0.00 0.00 1.32 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.17 1.35 7.81 13 Y 7.58 4.85 0.00 2.57 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.55 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.29 0.00 2.76 2.93 0.00 0.00 6.80 7.49 0.00 0.00 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 7.98 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.57 2.33 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 1.08 0.00 0.00 1.14 0.00 0.00 18 L 8.39 3.98 0.00 1.95 1.79 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.62 4.00 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 8.72 4.40 0.00 4.08 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 7.96 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.01 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 7.97 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 1.28 0.00 0.00 24 F 8.06 4.34 0.00 3.10 3.35 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 25 C 8.02 3.91 0.00 3.31 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 26 V 7.98 3.60 2.27 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 1.08 0.00 0.00 0.97 0.00 0.00 27 A 8.22 4.06 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 28 V 7.95 3.61 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.74 0.00 0.00 29 W 8.44 3.78 0.00 3.49 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 30 V 8.27 3.65 2.37 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.13 3.95 0.00 3.07 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 3.98 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 33 A 8.28 4.61 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.54 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 1.23 0.00 0.00 35 Q 8.06 4.31 0.00 0.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.04 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 36 I 7.37 4.23 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.55 0.74 0.00 0.00 37 G 7.99 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.45 3.86 1.58 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.40 -0.43 0.00 0.00 39 E 8.24 4.18 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 40 W 8.69 4.28 0.00 3.32 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.08 0.00 2.79 2.82 0.00 0.00 7.20 7.35 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 42 P 0.00 4.61 0.00 2.25 2.12 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.38 4.25 0.00 3.88 3.78 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 0.00 0.00 0.00 0.00 44 P 0.00 4.41 0.00 2.22 2.09 0.00 3.67 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 2.11 2.08 0.00 45 V 7.18 3.69 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 0.94 0.00 0.00 0.93 0.00 0.00 46 G 8.99 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 0.00 0.00 0.00 47 R 7.55 4.39 0.00 1.87 2.03 0.00 3.08 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 48 V 7.99 3.99 2.19 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 0.80 0.00 0.00 0.94 0.00 0.00 49 T 8.16 4.42 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 1.23 0.00 0.00 50 P 0.00 4.22 0.00 2.08 2.08 0.00 3.67 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 2.06 2.11 0.00 51 K 8.37 4.62 0.00 1.73 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.46 7.81 52 E 8.76 4.17 0.00 1.97 1.76 0.00 0.00 0.00 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 2.22 0.00 53 W 7.98 4.68 0.00 3.54 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 54 R 6.31 3.46 0.00 0.67 0.66 0.00 2.99 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.09 0.00