NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3425 8.2601 123.5943 51.9411 19.3366 176.5386 2 A 3.9276 8.5951 119.8414 52.8243 19.0885 175.4997 3 A 4.2698 8.5514 120.5322 52.0005 23.2189 176.5146 4 T 4.1572 8.5296 124.0396 61.9504 67.6266 175.9236 5 N 4.2353 7.4189 114.3794 51.2307 42.5637 171.5347 6 P 4.3505 0.0000 0.0000 65.7908 31.7301 178.3690 7 A 4.0122 8.0779 118.9499 55.1812 18.3159 179.5486 8 R 3.8384 8.9532 117.5067 59.6311 30.1309 177.9472 9 Y 4.2426 8.7421 119.7779 61.2510 38.7264 177.6959 10 C 3.9568 8.8536 117.5143 59.7039 39.9517 175.7353 11 C 4.0261 7.6260 119.4886 62.3398 31.3682 175.2031 12 L 4.0966 8.2385 119.4818 58.0995 41.3899 179.1239 13 S 4.3759 8.6619 113.6258 59.6914 63.5500 173.6348 14 G 4.7059 6.0580 105.7262 43.3564 0.0000 173.3838 15 C 5.0032 8.0156 117.6160 54.4911 45.5284 174.9856 16 T 4.4721 9.0845 114.3878 60.5685 72.1835 175.0044 17 Q 3.9364 8.4165 119.7506 59.6403 29.1232 178.3894 18 Q 3.9279 7.9937 120.1374 59.2612 28.9802 177.6409 19 D 4.4153 7.6201 118.3911 57.6022 41.1805 178.6795 20 L 4.1440 8.0540 119.3137 57.5952 41.6153 179.1816 21 L 3.9468 8.4810 120.6875 58.5940 41.7900 179.2271 22 T 3.9634 7.9712 114.3245 65.6699 68.4247 175.5392 23 L 4.4609 7.6083 118.7860 53.8293 42.5398 176.4772 24 C 4.2935 7.5543 118.5352 58.9756 28.9080 172.0008 25 P 4.6617 0.0000 0.0000 61.7210 33.3787 175.2716 26 Y 4.3292 7.4728 115.9428 57.8540 38.2079 175.0477 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 4.34 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 A 8.60 3.93 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 3 A 8.55 4.27 1.30 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 0.00 0.00 4 T 8.53 4.16 4.23 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 1.18 0.00 0.00 5 N 7.42 4.24 0.00 2.70 2.64 0.00 0.00 7.06 7.72 0.00 0.00 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 P 0.00 4.35 0.00 2.23 2.14 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 7 A 8.08 4.01 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 8 R 8.95 3.84 0.00 2.09 2.07 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 9 Y 8.74 4.24 0.00 3.08 3.18 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 0.00 0.00 0.00 0.00 10 C 8.85 3.96 0.00 3.11 3.06 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 11 C 7.63 4.03 0.00 3.07 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 12 L 8.24 4.10 0.00 1.67 1.73 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.66 4.38 0.00 3.36 3.68 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 14 G 6.06 4.71 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 0.00 0.00 0.00 15 C 8.02 5.00 0.00 2.85 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 16 T 9.08 4.47 4.23 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 1.22 0.00 0.00 17 Q 8.42 3.94 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 18 Q 7.99 3.93 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 19 D 7.62 4.42 0.00 2.89 2.77 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 20 L 8.05 4.14 0.00 1.84 1.71 0.91 0.34 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 21 L 8.48 3.95 0.00 1.86 1.83 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.97 3.96 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 L 7.61 4.46 0.00 1.78 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 C 7.55 4.29 0.00 3.09 2.85 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 0.00 0.00 0.00 0.00 25 P 0.00 4.66 0.00 1.60 1.80 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 26 Y 7.47 4.33 0.00 3.02 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