NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1155 8.0093 120.7866 61.0405 39.1728 174.5265 2 T 4.4456 8.2987 117.0798 59.4708 70.9456 171.7614 3 A 4.6916 8.7750 125.9774 50.5545 23.3650 177.1892 4 K 4.3462 8.2715 118.7249 54.9210 33.1348 175.7687 5 P 4.3536 0.0000 0.0000 62.0550 31.8693 176.5398 6 A 4.0568 8.4548 123.4793 52.7710 18.6533 178.4316 7 K 4.2091 8.6870 122.2717 58.9897 32.7398 177.7970 8 T 4.6102 7.3235 107.2672 58.0989 68.3685 170.8841 9 P 4.0703 0.0000 0.0000 64.2921 32.2377 176.3370 10 T 5.2470 8.4484 118.5810 61.0147 68.9540 175.1323 11 S 4.3992 8.3780 122.0729 57.2409 65.3063 172.9270 12 P 4.1847 0.0000 0.0000 65.7234 30.9393 178.9096 13 K 3.9305 7.9323 117.8212 59.5519 32.2407 178.5906 14 E 3.9740 7.9945 118.5773 59.5678 29.3150 179.4317 15 Q 3.9701 8.4798 118.2243 58.7722 28.6639 178.5705 16 A 3.9439 8.1335 121.9014 55.0711 18.3229 179.7776 17 I 3.7105 7.8054 118.4443 64.5464 37.1622 178.9502 18 G 3.5823 8.1782 106.5827 47.5259 0.0000 175.5109 19 L 3.8438 8.2467 123.0838 58.0639 42.0864 179.2672 20 S 4.0282 8.0905 115.2243 61.6002 62.7807 176.9388 21 V 3.6325 8.0338 121.0382 66.1521 31.3585 178.1900 22 T 4.0279 8.2449 115.6293 66.8780 68.3879 176.5395 23 F 4.1992 8.8773 120.0277 60.7886 38.9032 177.8479 24 L 4.1545 8.5011 118.9473 57.7211 41.1769 179.6750 25 S 4.1864 8.2642 113.4665 60.9045 61.5165 176.2128 26 F 4.3059 8.0561 120.5775 60.0738 39.0760 178.0800 27 L 4.3647 8.2472 118.6425 57.5655 41.3509 179.4707 28 L 4.0450 8.2276 119.0680 57.4140 41.6484 177.6881 29 P 4.2797 0.0000 0.0000 65.6237 31.2962 178.5794 30 A 4.2034 7.6640 118.3518 55.1916 18.2763 179.8391 31 G 3.6875 8.4912 104.5077 47.6188 0.0000 175.6018 32 W 4.2046 8.7551 131.1107 60.3145 30.5848 178.1332 33 V 3.8666 8.0843 116.6274 66.3519 31.1221 177.6385 34 L 4.1582 8.4371 118.9844 57.9176 41.1646 179.0315 35 Y 3.9597 8.0428 118.9365 60.6285 39.0484 176.6298 36 H 4.1170 7.6125 115.4322 55.4624 28.6275 176.9117 37 L 3.9196 7.0090 123.9568 58.3645 41.4386 179.3832 38 D 4.2754 7.7016 117.8649 57.3256 40.5634 178.4026 39 N 4.2845 7.6700 115.6148 55.9072 38.4852 176.6028 40 Y 4.5968 7.0334 117.0641 60.8182 38.4201 177.2916 41 K 4.3153 8.0146 118.4064 58.0935 32.7778 176.9926 42 K 4.4228 7.3741 120.3828 54.6036 32.8369 175.9386 43 S 4.3187 8.3018 120.1078 59.0457 63.7311 176.1785 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 I 8.01 4.12 1.87 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 1.47 1.35 0.91 0.00 0.00 2 T 8.30 4.45 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 3 A 8.77 4.69 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 4 K 8.27 4.35 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 5 P 0.00 4.35 0.00 2.04 1.98 0.00 3.70 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 2.02 2.08 0.00 6 A 8.45 4.06 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 K 8.69 4.21 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.32 4.61 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 9 P 0.00 4.07 0.00 2.05 2.06 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 10 T 8.45 5.25 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 11 S 8.38 4.40 0.00 4.04 3.99 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 12 P 0.00 4.18 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.93 3.93 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 7.99 3.97 0.00 2.34 1.98 0.00 0.00 0.00 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 2.34 0.00 15 Q 8.48 3.97 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 16 A 8.13 3.94 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 17 I 7.81 3.71 2.04 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 1.44 0.84 0.91 0.00 0.00 18 G 8.18 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.25 3.84 0.00 1.71 1.67 0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.09 4.03 0.00 3.90 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 21 V 8.03 3.63 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 22 T 8.24 4.03 4.60 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 1.40 0.00 0.00 23 F 8.88 4.20 0.00 3.15 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 24 L 8.50 4.15 0.00 1.91 1.79 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.26 4.19 0.00 4.05 4.15 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 F 8.06 4.31 0.00 3.32 3.10 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 0.00 0.00 0.00 0.00 27 L 8.25 4.36 0.00 1.78 1.78 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.23 4.04 0.00 1.79 1.76 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.28 0.00 2.17 2.08 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 30 A 7.66 4.20 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 31 G 8.49 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 32 W 8.76 4.20 0.00 3.53 3.50 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 33 V 8.08 3.87 2.45 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 1.11 0.00 0.00 1.39 0.00 0.00 34 L 8.44 4.16 0.00 2.03 1.76 0.99 0.74 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 35 Y 8.04 3.96 0.00 2.93 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 36 H 7.61 4.12 0.00 2.22 2.11 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.01 3.92 0.00 1.75 1.65 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.70 4.28 0.00 2.57 2.56 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 39 N 7.67 4.28 0.00 2.30 2.73 0.00 0.00 6.91 7.46 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 40 Y 7.03 4.60 0.00 3.11 2.90 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 41 K 8.01 4.32 0.00 1.82 1.91 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.62 7.81 42 K 7.37 4.42 0.00 1.62 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 43 S 8.30 4.32 0.00 3.98 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00