NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3519 8.2493 123.5820 52.3510 18.9983 175.4521 2 M 4.1673 8.1085 118.0242 53.6814 33.2853 175.4201 3 D 4.3495 8.3901 117.2811 54.5894 39.1355 176.5491 4 C 4.6337 7.8644 118.8971 55.7855 44.3831 172.8852 5 T 4.0868 8.2958 123.0193 63.6100 68.6918 173.7915 6 T 4.5062 8.4033 113.8205 60.2192 71.8724 173.9507 7 G 3.7019 8.4556 107.4434 43.6717 0.0000 171.0846 8 P 4.2741 0.0000 0.0000 63.5573 31.8756 176.3689 9 C 4.0556 8.8483 112.6450 58.1404 37.4798 173.4823 10 C 5.2726 7.3151 115.0534 55.5940 45.1071 173.7998 11 R 4.1896 8.8725 116.3684 56.6075 31.6837 172.8734 12 Q 3.4503 9.0198 128.0045 57.1734 26.7670 173.4115 13 C 4.0897 8.1219 110.4859 56.9732 44.0597 172.3231 14 K 4.5189 7.6384 118.5897 53.8523 34.3741 175.1867 15 L 4.6239 8.4862 126.8995 56.1307 41.0022 176.9970 16 K 4.4578 8.1816 119.9491 54.8676 33.4518 175.0497 17 P 4.4079 0.0000 0.0000 62.7088 32.0115 176.4425 18 A 3.9516 8.5360 126.2425 53.9953 18.6303 177.8438 19 G 4.0885 9.1521 112.1394 45.8412 0.0000 173.3571 20 T 4.7355 7.9279 115.4427 62.0251 71.0608 174.0247 21 T 4.1479 8.3710 113.4967 61.3189 70.1287 175.9445 22 C 4.4971 8.3352 125.4766 55.5557 41.8739 171.4262 23 W 3.5692 8.3679 131.7389 56.8050 28.1584 172.1479 24 R 3.6882 8.0345 120.4966 56.0519 30.2904 175.4744 25 T 3.7927 7.4012 117.6734 62.5294 69.8457 171.8895 26 S 4.6671 8.3138 116.6095 58.6331 63.2470 175.5909 27 V 3.9703 6.3272 118.8410 63.7664 32.8799 175.0894 28 S 4.4420 7.0560 107.4117 57.4522 63.2849 175.0981 29 S 4.1085 8.4849 123.9926 58.6424 62.8663 173.5020 30 H 5.2519 8.1631 121.3711 55.0314 33.1683 171.1678 31 Y 4.8972 8.4213 115.4410 57.4714 42.2102 175.4744 32 C 4.6655 9.1019 118.6394 56.4914 41.6113 174.0562 33 T 4.2668 9.1436 110.1851 61.9929 69.3636 176.1869 34 G 4.7360 6.9661 123.7815 45.5705 0.0000 172.5612 35 R 4.7204 6.9299 119.8722 55.2646 31.3034 174.6258 36 S 4.6370 7.7708 111.5098 58.6778 66.7586 175.1136 37 C 5.2803 8.5738 116.5277 57.0316 41.0411 173.9737 38 E 4.7622 8.2769 117.9932 54.8887 31.1318 177.0120 39 C 4.7510 8.2972 122.6339 53.4211 43.2068 171.3861 40 P 4.2450 0.0000 0.0000 62.6225 31.4711 175.8898 41 S 4.6035 7.6641 110.7982 58.4444 62.5572 173.1533 42 Y 4.8046 7.3795 115.3357 55.5676 39.0876 174.4098 43 P 4.5547 0.0000 0.0000 64.9682 31.9057 176.9354 44 G 4.3051 7.7519 105.9276 43.8193 0.0000 171.1115 45 N 4.6244 8.9202 118.3520 53.2044 41.9620 174.5454 46 G 4.2417 8.7723 112.8236 46.1808 0.0000 173.2962 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 8.25 4.35 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 2 M 8.11 4.17 0.00 2.19 2.17 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 2.68 2.62 0.00 3 D 8.39 4.35 0.00 2.83 2.80 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 4 C 7.86 4.63 0.00 2.88 2.95 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 0.00 0.00 0.00 5 T 8.30 4.09 4.29 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 0.00 0.00 0.00 1.26 0.00 0.00 6 T 8.40 4.51 4.22 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 1.20 0.00 0.00 7 G 8.46 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 0.00 0.00 0.00 8 P 0.00 4.27 0.00 2.21 2.04 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 9 C 8.85 4.06 0.00 3.06 3.30 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 10 C 7.32 5.27 0.00 3.05 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 11 R 8.87 4.19 0.00 1.88 1.85 0.00 3.35 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 12 Q 9.02 3.45 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 13 C 8.12 4.09 0.00 3.12 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 14 K 7.64 4.52 0.00 1.82 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.52 7.81 15 L 8.49 4.62 0.00 1.78 1.68 1.02 0.56 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 16 K 8.18 4.46 0.00 1.66 1.80 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.58 7.81 17 P 0.00 4.41 0.00 1.95 2.02 0.00 3.71 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 2.05 2.13 0.00 18 A 8.54 3.95 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 19 G 9.15 4.09 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 0.00 0.00 0.00 20 T 7.93 4.74 4.30 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 1.25 0.00 0.00 21 T 8.37 4.15 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 1.05 0.00 0.00 22 C 8.34 4.50 0.00 3.04 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 23 W 8.37 3.57 0.00 3.36 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 24 R 8.03 3.69 0.00 1.72 1.71 0.00 3.28 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 25 T 7.40 3.79 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 0.24 0.00 0.00 26 S 8.31 4.67 0.00 3.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.33 3.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.73 0.00 0.00 28 S 7.06 4.44 0.00 3.76 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 4.11 0.00 3.86 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 30 H 8.16 5.25 0.00 2.97 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.42 4.90 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 9.10 4.67 0.00 3.09 3.07 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 0.00 0.00 0.00 0.00 33 T 9.14 4.27 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 1.35 0.00 0.00 34 G 6.97 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.93 4.72 0.00 1.96 1.88 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 36 S 7.77 4.64 0.00 3.83 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 37 C 8.57 5.28 0.00 2.91 3.21 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 38 E 8.28 4.76 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 39 C 8.30 4.75 0.00 2.93 3.01 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 40 P 0.00 4.24 0.00 2.17 1.97 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 41 S 7.66 4.60 0.00 3.64 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 42 Y 7.38 4.80 0.00 3.05 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 43 P 0.00 4.55 0.00 2.25 2.26 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 44 G 7.75 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 0.00 0.00 0.00 0.00 45 N 8.92 4.62 0.00 2.79 2.81 0.00 0.00 7.10 8.05 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 46 G 8.77 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 0.00 0.00 0.00 0.00