NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3061 8.2644 123.5821 52.1554 19.8599 175.6119 2 V 4.3601 7.8674 120.5780 58.9566 35.1349 172.8205 3 Q 4.1698 8.6047 120.7717 56.2595 29.9660 176.0600 4 Q 4.5175 8.4540 119.5285 56.4807 29.9399 175.0214 5 N 4.8959 7.5102 112.8958 51.9663 42.5864 174.0195 6 K 4.2638 8.4303 122.4072 54.9120 31.9777 174.9479 7 P 4.2222 0.0000 0.0000 63.0290 31.8343 177.1866 8 T 4.0150 8.4377 117.3217 61.8022 69.1452 174.8617 9 R 3.9464 8.6479 123.5891 60.2465 29.3590 178.0753 10 S 4.0427 8.2777 113.1719 60.5545 62.4245 175.5885 11 K 3.8811 7.9019 121.1690 60.1878 32.1121 177.8114 12 R 3.9458 7.9628 117.8053 59.7680 29.8743 178.0609 13 G 3.8729 8.1616 104.1802 48.5944 0.0000 175.0458 14 M 4.0389 7.3602 118.6819 57.6991 31.6692 178.5813 15 R 4.1843 8.4896 119.1690 59.0108 30.4211 177.7807 16 R 4.6264 7.9142 116.7653 56.5583 29.7156 178.1261 17 S 3.9967 7.6285 112.9504 62.8667 62.7237 175.0476 18 H 4.3410 7.7206 119.5027 56.9516 28.7885 176.8256 19 D 4.5648 7.8851 118.4192 55.0987 40.5328 176.1845 20 A 4.1068 7.4132 123.0429 51.9440 18.9594 177.0957 21 L 4.4357 8.0532 119.6746 54.0674 43.1678 175.8328 22 T 4.5965 8.0281 113.9005 60.3798 70.7309 174.8339 23 A 4.8815 7.8029 131.4261 51.7888 16.8452 179.9805 24 V 4.4140 8.2456 109.9682 62.8846 35.4890 174.8620 25 T 3.5099 8.7928 108.4469 62.1966 67.3984 168.7838 26 S 4.1103 7.4299 120.9823 58.8127 64.9293 170.4114 27 L 4.7138 8.0078 129.8360 54.5861 40.3383 176.7339 28 S 4.8557 8.8272 120.0357 57.9520 66.3239 172.8928 29 V 4.8735 8.1787 123.4974 59.6730 33.3749 174.9425 30 D 4.5191 8.5972 124.6487 54.4740 41.6428 176.1169 31 K 4.2810 8.5374 120.2582 58.9262 33.1220 178.8710 32 T 4.1204 8.1883 115.4066 65.9299 68.9467 174.3833 33 S 4.7870 7.8380 112.9878 56.2156 65.9486 175.3522 34 G 3.7950 8.5041 108.2965 46.0156 0.0000 172.8702 35 E 3.7066 8.4447 120.9306 56.5426 30.3193 177.0182 36 K 4.8334 8.5818 128.7208 55.5143 30.3922 175.2376 37 H 5.0290 8.7698 120.5548 52.9421 32.3188 174.9250 38 L 4.4136 8.2754 120.6340 54.7077 43.5192 176.2817 39 R 3.8424 8.3551 122.7920 57.9472 30.3213 176.8870 40 H 4.3874 10.7118 118.2246 56.7101 26.2082 173.9332 41 H 3.7797 8.1778 111.7806 54.9052 31.1726 173.8511 42 I 3.3076 6.3998 119.9937 59.2513 37.1623 175.3039 43 T 4.5093 8.4448 113.8234 60.2148 70.9168 174.9559 44 A 4.3325 8.0619 122.6098 54.0508 18.7580 178.0979 45 D 4.6726 7.9490 113.4138 52.1675 40.1961 176.6907 46 G 4.4095 8.1606 106.8931 47.6237 0.0000 172.5022 47 Y 4.5957 8.0281 117.9741 57.6657 40.3471 174.9373 48 Y 5.0473 7.3358 125.0680 58.7825 44.0205 176.7218 49 R 4.1391 7.4935 110.7153 55.6904 28.2312 177.7233 50 G 4.2106 8.5732 111.5507 45.8497 0.0000 169.9512 51 R 3.0099 8.5013 116.1910 58.8055 30.5450 176.2833 52 K 3.9826 7.7142 110.8353 56.6402 33.2979 175.6439 53 V 3.8702 8.2394 118.8369 60.9894 32.7424 171.9210 54 I 3.3956 8.3887 131.1338 60.3650 37.0145 173.8817 55 A 4.0009 8.6936 127.7922 52.2646 19.0628 177.1826 56 K 4.4225 8.3751 117.4564 57.4208 34.3293 174.5678 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 1 A 8.26 4.31 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 2 V 7.87 4.36 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 0.84 0.00 0.00 0.93 0.00 0.00 3 Q 8.60 4.17 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 4 Q 8.45 4.52 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 5 N 7.51 4.90 0.00 2.70 2.64 0.00 0.00 6.92 7.61 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 6 K 8.43 4.26 0.00 1.71 1.75 0.00 1.62 0.00 0.00 2.36 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.22 0.00 2.08 2.00 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 8 T 8.44 4.02 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 1.23 0.00 0.00 9 R 8.65 3.95 0.00 2.00 2.08 0.00 3.10 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 1.60 1.71 0.00 10 S 8.28 4.04 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.90 3.88 0.00 1.90 1.97 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.61 7.81 12 R 7.96 3.95 0.00 1.89 2.12 0.00 3.18 0.00 0.00 3.17 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 13 G 8.16 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 14 M 7.36 4.04 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 15 R 8.49 4.18 0.00 1.84 2.02 0.00 3.09 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 1.61 1.67 0.00 16 R 7.91 4.63 0.00 1.93 1.92 0.00 3.21 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 17 S 7.63 4.00 0.00 3.84 3.80 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 0.00 0.00 0.00 18 H 7.72 4.34 0.00 3.22 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.89 4.56 0.00 2.85 2.70 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 20 A 7.41 4.11 1.26 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 0.00 0.00 0.00 21 L 8.05 4.44 0.00 1.64 1.62 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.03 4.60 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 23 A 7.80 4.88 1.04 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 0.00 0.00 24 V 8.25 4.41 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 0.83 0.00 0.00 0.97 0.00 0.00 25 T 8.79 3.51 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 26 S 7.43 4.11 0.00 4.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.71 0.00 1.78 1.28 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.83 4.86 0.00 3.85 3.56 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 0.00 0.00 0.00 0.00 29 V 8.18 4.87 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 0.79 0.00 0.00 0.93 0.00 0.00 30 D 8.60 4.52 0.00 2.58 2.81 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 31 K 8.54 4.28 0.00 1.76 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.50 7.81 32 T 8.19 4.12 4.64 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 1.42 0.00 0.00 33 S 7.84 4.79 0.00 3.61 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 34 G 8.50 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.44 3.71 0.00 1.71 1.87 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 1.96 2.20 0.00 36 K 8.58 4.83 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 37 H 8.77 5.03 0.00 3.38 3.41 0.00 5.32 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.28 4.41 0.00 1.77 1.72 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.36 3.84 0.00 1.85 1.93 0.00 3.56 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 H 10.71 4.39 0.00 3.22 3.51 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.18 3.78 0.00 3.05 3.00 0.00 5.59 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 42 I 6.40 3.31 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.91 0.00 0.00 43 T 8.44 4.51 4.27 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 1.30 0.00 0.00 44 A 8.06 4.33 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 45 D 7.95 4.67 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 4.41 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 0.00 47 Y 8.03 4.60 0.00 3.09 3.11 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 0.00 0.00 0.00 0.00 48 Y 7.34 5.05 0.00 3.00 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 0.00 0.00 0.00 49 R 7.49 4.14 0.00 1.35 1.56 0.00 3.04 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 50 G 8.57 4.21 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 0.00 51 R 8.50 3.01 0.00 1.95 1.97 0.00 3.21 0.00 0.00 3.12 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 52 K 7.71 3.98 0.00 0.82 1.36 0.00 1.44 0.00 0.00 1.51 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.88 0.22 7.81 53 V 8.24 3.87 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 1.03 0.00 0.00 54 I 8.39 3.40 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 1.34 0.34 0.91 0.00 0.00 55 A 8.69 4.00 1.23 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 0.00 0.00 56 K 8.38 4.42 0.00 1.95 2.03 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.49 7.81