NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7549 8.2876 117.8394 55.4567 30.4888 174.7011 6 S 4.1132 8.2610 116.4930 59.4324 62.9050 173.1160 7 L 4.5076 7.8096 122.7047 56.5810 43.8300 178.6732 8 Q 3.9628 7.9874 118.7986 59.4214 28.9156 177.9810 9 D 4.5351 7.9633 119.3018 57.1829 40.9800 177.1528 10 P 4.3193 0.0000 0.0000 65.5366 31.3371 178.0350 11 Y 4.0050 8.1591 118.4033 60.8158 38.7392 178.0251 12 L 3.7133 8.1647 120.1064 57.8137 41.4848 179.4116 13 N 4.5706 8.5622 116.7464 56.5120 38.3691 177.7179 14 T 3.8344 7.9425 117.2231 66.6356 68.7093 176.7709 15 L 3.8265 7.6349 120.8887 57.5598 41.6726 179.6350 16 R 4.0989 8.0719 120.0987 59.0115 29.9336 178.7642 17 K 3.9697 8.0818 117.0663 59.5533 32.0996 178.0580 18 E 4.2058 8.3240 115.2177 56.0740 29.5878 176.5100 19 R 3.7453 7.5288 116.5768 56.8270 28.4127 176.5104 20 V 3.7743 7.4534 117.0594 62.1414 32.1707 174.1006 21 P 4.6024 0.0000 0.0000 63.0035 32.6910 175.7088 22 V 4.9891 9.0841 115.9103 59.8125 36.7877 174.3773 23 S 5.0282 9.1021 118.0431 56.8955 65.8475 173.3801 24 I 4.8504 8.8413 126.2837 59.8750 39.2170 174.2438 25 Y 4.8128 8.8720 125.8457 56.9402 39.4991 175.6118 26 L 4.9283 9.0115 124.3537 53.5601 43.4321 178.4846 27 V 3.6301 8.7972 115.0528 64.1464 31.5322 177.2950 28 N 4.5916 8.0579 114.9383 52.7694 37.7399 175.5106 29 G 4.1374 8.2415 108.0174 45.5000 0.0000 174.4592 30 I 3.9289 8.3816 121.5344 61.1887 38.3476 174.9404 31 K 4.5791 8.5331 127.3655 54.6676 33.6494 175.0574 32 L 4.7996 8.8073 127.6652 53.2309 44.3760 175.5931 33 Q 4.8883 9.4358 119.7371 53.6932 32.9113 176.4781 34 G 3.8106 6.9523 107.4909 45.8803 0.0000 170.8301 35 Q 4.9228 7.7447 118.3933 53.9226 31.9658 175.4642 36 I 4.3429 8.1859 123.5642 61.3549 37.5521 176.2318 37 E 4.1822 9.3126 130.4430 58.8136 30.3710 176.1107 38 S 4.8416 7.8106 111.7684 58.5392 65.9159 174.6076 39 F 5.1895 8.0356 113.2575 56.2789 39.9288 173.1765 40 D 4.5901 8.4886 120.4330 52.1564 41.7922 174.3055 41 Q 3.8304 8.8164 118.3418 59.0806 28.9797 178.2032 42 F 4.9954 8.1896 113.9091 57.3855 41.2852 174.8883 43 V 5.0891 8.7491 113.2490 59.5457 36.5128 174.4724 44 I 5.1250 8.6667 121.8110 59.7318 41.2228 174.6761 45 L 4.8894 9.0852 127.3625 53.3949 43.2625 175.1010 46 L 5.0356 8.8436 127.2089 53.1421 44.4704 174.7225 47 K 4.3656 9.1983 127.8890 55.7438 33.9831 174.0454 48 N 5.0304 8.6959 124.8655 54.0551 42.0827 175.2588 49 T 4.2443 8.3559 115.2105 65.1814 69.6867 175.4317 50 V 4.5002 7.2384 119.5487 60.7055 34.6922 174.4041 51 S 4.9283 8.4877 121.3033 58.4482 63.7067 173.5228 52 Q 4.6424 9.0279 121.0040 54.5589 32.0369 173.7102 53 M 4.6369 8.6035 121.4010 54.5853 33.4263 174.9977 54 V 4.3833 8.8605 126.8383 61.1811 34.2122 174.3371 55 Y 4.4739 8.5446 125.8500 57.2803 38.6379 176.6778 56 K 4.0140 9.1866 125.5184 59.7102 32.3862 178.9321 57 H 4.2167 8.3534 112.7652 57.7130 28.6216 175.6451 58 A 4.5473 8.1667 122.1934 52.1147 19.4568 176.2835 59 I 4.7415 7.7340 118.0216 60.1871 38.5929 175.4136 60 S 4.7653 9.1404 120.6735 60.0976 64.1385 174.3969 61 T 4.7948 7.7754 109.7480 59.3325 72.5790 172.3531 62 V 4.8045 8.4740 122.1456 61.3388 33.9635 174.7366 63 V 4.5664 8.9724 129.5360 60.3333 32.5160 173.0987 64 P 4.8560 0.0000 0.0000 62.6156 32.1625 177.5991 65 S 4.5473 8.8235 117.1708 60.7164 63.4857 174.4499 66 R 4.7193 7.4248 112.8188 53.1815 32.3564 173.1255 67 P 4.4543 0.0000 0.0000 63.1573 31.8955 175.9835 68 V 4.4957 7.9860 112.1616 59.7346 35.5464 175.7222 69 R 4.2083 8.4761 120.6986 56.5393 30.0032 175.8907 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 5 H 8.29 4.75 0.00 3.23 3.69 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.26 4.11 0.00 4.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.51 0.00 1.72 1.61 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.99 3.96 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 9 D 7.96 4.54 0.00 2.93 2.88 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 10 P 0.00 4.32 0.00 2.22 2.15 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.19 0.00 11 Y 8.16 4.00 0.00 3.16 3.09 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 12 L 8.16 3.71 0.00 0.61 0.50 0.38 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.56 4.57 0.00 3.05 2.96 0.00 0.00 7.03 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 14 T 7.94 3.83 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 1.14 0.00 0.00 15 L 7.63 3.83 0.00 1.66 1.56 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.07 4.10 0.00 2.05 2.18 0.00 3.35 0.00 0.00 3.48 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 17 K 8.08 3.97 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.60 7.81 18 E 8.32 4.21 0.00 2.00 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 2.40 2.39 0.00 19 R 7.53 3.75 0.00 1.94 1.97 0.00 3.16 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 20 V 7.45 3.77 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 0.69 0.00 0.00 0.88 0.00 0.00 21 P 0.00 4.60 0.00 2.10 1.94 0.00 3.57 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 9.08 4.99 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 0.87 0.00 0.00 0.99 0.00 0.00 23 S 9.10 5.03 0.00 3.79 3.43 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 24 I 8.84 4.85 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 0.93 0.00 0.00 25 Y 8.87 4.81 0.00 2.99 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 26 L 9.01 4.93 0.00 1.80 1.73 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.80 3.63 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 0.73 0.00 0.00 0.97 0.00 0.00 28 N 8.06 4.59 0.00 2.83 2.95 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.24 4.14 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 0.00 0.00 0.00 30 I 8.38 3.93 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.41 0.90 0.00 0.00 31 K 8.53 4.58 0.00 1.41 1.53 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.01 0.52 7.81 32 L 8.81 4.80 0.00 1.50 1.48 0.91 0.71 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 33 Q 9.44 4.89 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 34 G 6.95 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 0.00 0.00 0.00 35 Q 7.74 4.92 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 36 I 8.19 4.34 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.06 1.00 0.00 0.00 37 E 9.31 4.18 0.00 1.96 1.97 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 0.00 2.31 2.40 0.00 38 S 7.81 4.84 0.00 3.81 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.04 5.19 0.00 3.26 2.97 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 0.00 0.00 0.00 0.00 40 D 8.49 4.59 0.00 2.67 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 41 Q 8.82 3.83 0.00 1.71 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 1.32 1.99 0.00 42 F 8.19 5.00 0.00 3.23 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 43 V 8.75 5.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.95 0.00 0.00 44 I 8.67 5.13 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 1.27 0.92 0.92 0.00 0.00 45 L 9.09 4.89 0.00 1.58 1.59 0.91 0.17 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 46 L 8.84 5.04 0.00 1.73 1.49 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.20 4.37 0.00 1.84 1.75 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 48 N 8.70 5.03 0.00 2.83 2.51 0.00 0.00 7.22 7.58 0.00 0.00 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 T 8.36 4.24 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 50 V 7.24 4.50 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 1.04 0.00 0.00 0.93 0.00 0.00 51 S 8.49 4.93 0.00 3.79 3.76 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 0.00 0.00 0.00 52 Q 9.03 4.64 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 53 M 8.60 4.64 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.14 0.00 54 V 8.86 4.38 2.07 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 1.03 0.00 0.00 0.92 0.00 0.00 55 Y 8.54 4.47 0.00 2.94 2.39 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 0.00 56 K 9.19 4.01 0.00 2.01 1.95 0.00 1.90 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.51 1.54 7.81 57 H 8.35 4.22 0.00 3.28 3.56 0.00 5.53 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 58 A 8.17 4.55 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 59 I 7.73 4.74 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.99 0.00 0.00 60 S 9.14 4.77 0.00 3.86 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 4.79 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 1.18 0.00 0.00 62 V 8.47 4.80 2.24 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 0.89 0.00 0.00 0.98 0.00 0.00 63 V 8.97 4.57 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.05 0.00 0.00 64 P 0.00 4.86 0.00 2.37 2.10 0.00 3.87 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 65 S 8.82 4.55 0.00 3.91 4.05 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 0.00 0.00 0.00 0.00 66 R 7.42 4.72 0.00 1.86 1.88 0.00 3.07 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 67 P 0.00 4.45 0.00 2.21 2.12 0.00 3.71 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 1.99 2.00 0.00 68 V 7.99 4.50 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 0.71 0.00 0.00 0.82 0.00 0.00 69 R 8.48 4.21 0.00 1.75 1.78 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00