NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5124 8.3049 118.3338 55.3079 33.1187 173.8121 2 K 4.4464 7.9888 116.9544 53.7576 34.3790 172.2415 3 V 4.9585 9.0222 118.9170 59.9324 32.6871 179.2746 4 R 4.2061 9.0812 124.9700 57.1697 28.2888 175.0009 5 A 3.9419 7.9073 122.6921 55.0789 18.9930 177.2919 6 S 4.3262 7.8934 109.2928 58.2458 62.6441 173.0918 7 V 3.8801 7.8730 127.3407 57.7860 33.0783 178.1098 8 K 3.7085 7.9364 122.7206 55.4020 33.6156 174.7112 9 K 4.5660 8.2243 116.5072 55.5748 34.1902 176.2469 10 L 4.5377 8.2447 119.3020 55.6098 43.3472 175.8260 11 C 4.6442 7.4272 111.8688 56.8175 31.9468 174.5820 12 R 4.0250 8.5388 115.4628 57.9367 27.4618 176.4544 13 N 4.7582 8.1416 117.3499 53.7317 39.0431 174.5154 14 C 4.8350 7.6190 114.9607 58.7707 30.3110 171.4054 15 K 4.2792 7.9892 118.4100 58.1371 34.2981 176.2126 16 I 3.4226 7.8271 125.9353 61.4448 33.7799 172.5397 17 V 4.3262 8.5501 116.7249 58.5322 34.8761 175.1893 18 K 3.9327 8.8235 125.5070 57.2117 32.2726 177.2199 19 R 4.6320 8.6110 130.5769 55.2688 31.3871 173.4452 20 D 4.9308 8.1523 118.8837 53.6183 36.3487 177.7572 21 G 3.9678 9.0926 117.1111 45.4620 0.0000 173.3047 22 V 3.9051 7.6592 112.7956 59.6971 30.9401 175.1548 23 I 3.7312 8.2457 126.9658 62.2531 37.8015 175.6557 24 R 4.7682 8.3491 124.9772 54.5158 33.4046 176.0422 25 V 4.6208 8.3229 120.0489 61.5349 34.3318 174.4034 26 I 4.6509 8.4592 128.5925 60.1385 38.9835 174.7263 27 C 4.9831 8.5918 124.9583 57.7454 33.7587 173.7085 28 S 4.5574 8.3565 117.0194 58.1516 63.1839 174.4981 29 A 4.3599 7.5313 123.2120 52.8637 19.9430 176.4789 30 E 4.8054 7.5715 114.7227 53.7983 32.2590 175.0370 31 P 4.5197 0.0000 0.0000 63.9595 31.8680 178.6164 32 K 3.8263 7.3959 115.1440 58.8055 32.0837 177.5553 33 H 4.5601 8.0244 113.6848 55.8376 29.6559 175.1239 34 K 4.4639 7.5642 123.1405 56.5686 33.1591 175.6229 35 Q 4.8357 8.9551 124.6740 54.7185 32.4319 173.9282 36 R 4.7324 9.1511 122.5463 55.5098 33.2355 171.6378 37 Q 3.9807 7.8936 131.3588 54.3271 30.8821 173.7619 38 G 4.1464 8.6514 111.6697 46.5228 0.0000 172.0130 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 M 8.30 4.51 0.00 2.04 2.37 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 K 7.99 4.45 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.62 7.81 3 V 9.02 4.96 2.34 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 1.07 0.00 0.00 0.93 0.00 0.00 4 R 9.08 4.21 0.00 1.96 2.10 0.00 3.21 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 5 A 7.91 3.94 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 6 S 7.89 4.33 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 7 V 7.87 3.88 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 0.83 0.00 0.00 0.93 0.00 0.00 8 K 7.94 3.71 0.00 2.03 1.93 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.41 7.81 9 K 8.22 4.57 0.00 1.86 1.84 0.00 1.44 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.50 7.81 10 L 8.24 4.54 0.00 1.86 1.87 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.43 4.64 0.00 3.03 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 12 R 8.54 4.03 0.00 1.93 2.09 0.00 3.00 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 13 N 8.14 4.76 0.00 2.75 2.74 0.00 0.00 7.12 7.80 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 14 C 7.62 4.84 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.28 0.00 1.62 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.50 7.81 16 I 7.83 3.42 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 1.42 0.54 0.91 0.00 0.00 17 V 8.55 4.33 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 0.90 0.00 0.00 0.93 0.00 0.00 18 K 8.82 3.93 0.00 1.71 1.76 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 19 R 8.61 4.63 0.00 1.78 1.84 0.00 3.27 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 20 D 8.15 4.93 0.00 2.78 2.69 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 21 G 9.09 3.97 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 0.00 0.00 0.00 22 V 7.66 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 23 I 8.25 3.73 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 1.34 0.85 0.91 0.00 0.00 24 R 8.35 4.77 0.00 1.80 1.82 0.00 3.06 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 25 V 8.32 4.62 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 0.99 0.00 0.00 0.94 0.00 0.00 26 I 8.46 4.65 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 1.23 0.98 0.91 0.00 0.00 27 C 8.59 4.98 0.00 2.96 2.87 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 28 S 8.36 4.56 0.00 3.96 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 29 A 7.53 4.36 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 30 E 7.57 4.81 0.00 2.09 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 0.00 2.23 2.30 0.00 31 P 0.00 4.52 0.00 2.18 2.08 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 32 K 7.40 3.83 0.00 1.79 1.77 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 33 H 8.02 4.56 0.00 3.13 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.56 4.46 0.00 1.87 1.86 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.53 7.81 35 Q 8.96 4.84 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 36 R 9.15 4.73 0.00 1.85 1.80 0.00 3.19 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 37 Q 7.89 3.98 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 38 G 8.65 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 0.00 0.00 0.00