NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.3590 8.3493 120.1078 51.8291 43.9154 174.9639 2 N 4.1933 5.7700 112.5571 52.5550 38.4775 173.4353 3 Y 4.7900 7.1898 112.1600 59.4129 39.3993 177.5574 4 A 4.8395 7.7388 120.1020 51.9033 19.9778 176.9285 5 D 4.6055 8.1084 116.3784 56.7705 43.6449 176.3007 6 L 4.8215 7.8485 116.1272 55.3907 41.0102 175.6384 7 S 4.9910 8.1417 112.7359 56.4015 65.3721 173.1383 8 D 4.3341 8.8941 118.0816 57.3693 38.9943 177.9648 9 T 3.8541 7.4279 116.8553 66.4717 68.5333 175.9357 10 E 4.4729 8.1511 120.7081 58.7378 29.4342 178.9226 11 L 3.9489 7.7490 120.1324 58.8171 42.1488 179.3382 12 T 3.8978 8.1360 115.0072 66.0895 68.3948 176.1270 13 T 4.2572 8.2429 116.5968 63.9939 68.5333 175.4962 14 L 4.5952 7.8519 119.2980 54.0910 43.7214 176.8929 15 L 4.4656 8.1046 117.6215 54.1907 43.0610 177.4347 16 R 4.3252 7.7999 116.8958 55.7890 31.8756 176.4473 17 R 4.0165 7.8122 112.9486 58.1459 30.0292 176.7828 18 Y 4.4062 7.5769 114.1898 57.6412 38.9719 174.8290 19 N 4.3970 8.1462 114.9744 54.0350 34.8489 174.6655 20 I 3.9586 7.0039 117.8358 60.2507 37.8878 175.7138 21 P 4.4526 0.0000 0.0000 63.1121 29.2015 174.6006 22 H 4.7436 8.0476 120.2550 53.8828 32.8366 172.7201 23 G 3.8339 9.0137 109.1808 45.1142 0.0000 174.7031 24 P 4.5228 0.0000 0.0000 62.0587 32.3464 177.7228 25 V 4.0683 8.3057 123.8631 62.0528 29.9996 175.2014 26 V 4.2850 7.5535 118.2461 58.6787 34.0595 176.9783 27 G 3.6948 8.5680 109.6679 49.0309 0.0000 175.4717 28 S 3.9506 7.6919 113.9622 61.6450 63.0890 175.8176 29 T 4.0382 7.2208 110.2993 61.0464 69.4822 176.9388 30 R 4.0422 8.0333 123.4831 60.0752 30.5352 176.9398 31 R 3.7953 7.7238 117.8936 59.4765 29.8243 177.8162 32 L 3.8094 7.8445 119.6144 58.3207 41.7902 178.1316 33 Y 4.6786 7.5790 115.4656 60.1384 38.3510 176.5864 34 E 4.3779 7.9255 116.3918 56.7391 29.7284 177.6774 35 K 4.3554 8.0278 119.4485 57.8291 34.4447 178.2632 36 K 4.2143 7.7919 119.1792 59.1033 31.7933 178.6328 37 I 3.8011 7.0786 113.9951 62.6354 38.0375 176.6770 38 F 4.2618 8.3651 120.9085 61.4510 39.5907 177.4457 39 E 4.1731 8.2542 117.7265 59.2705 29.4963 178.3250 40 Y 4.1877 8.1577 120.6093 59.0475 38.2812 176.9754 41 E 4.8202 8.0315 115.6886 56.2326 31.1630 175.9170 42 T 4.7577 8.1371 113.3032 62.3055 70.4426 173.5331 43 Q 4.7635 7.6536 128.7090 56.6918 30.0959 173.1832 44 R 4.6198 6.7699 115.8670 55.0182 34.6018 173.8319 45 R 2.9779 7.6313 115.8670 57.2340 34.1650 174.9294 46 R 4.2399 7.0141 115.2300 54.2434 33.3402 175.9200 47 L 3.5841 7.9081 117.8010 55.7912 39.7302 174.6822 48 S 4.0565 8.0598 112.4321 58.6859 63.3210 172.1158 49 P 4.5139 0.0000 0.0000 61.3635 30.9939 174.3309 50 P 4.3541 0.0000 0.0000 64.8354 31.1772 176.1289 51 S 4.5602 7.4255 109.4561 58.1925 65.0698 174.3479 52 S 4.4664 6.9705 115.5356 57.1132 65.2407 174.3179 53 S 4.1900 7.8258 121.6531 59.1614 63.5410 174.6376 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 D 8.35 4.36 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 N 5.77 4.19 0.00 2.88 2.79 0.00 0.00 6.01 6.71 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 3 Y 7.19 4.79 0.00 3.10 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 4 A 7.74 4.84 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 5 D 8.11 4.61 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.82 0.00 1.87 1.79 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.14 4.99 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 8 D 8.89 4.33 0.00 2.92 2.93 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 0.00 0.00 0.00 0.00 9 T 7.43 3.85 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 1.19 0.00 0.00 10 E 8.15 4.47 0.00 2.14 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 2.39 2.23 0.00 11 L 7.75 3.95 0.00 1.78 1.83 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.14 3.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 13 T 8.24 4.26 4.17 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 1.14 0.00 0.00 14 L 7.85 4.60 0.00 1.72 1.66 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.10 4.47 0.00 1.56 1.12 0.19 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.80 4.33 0.00 1.65 1.86 0.00 3.37 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 17 R 7.81 4.02 0.00 1.65 1.88 0.00 2.21 0.00 0.00 2.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.00 18 Y 7.58 4.41 0.00 2.53 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 0.00 0.00 0.00 0.00 19 N 8.15 4.40 0.00 2.96 3.09 0.00 0.00 7.00 7.47 0.00 0.00 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 I 7.00 3.96 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.30 0.82 0.00 0.00 21 P 0.00 4.45 0.00 2.18 2.11 0.00 3.72 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 2.02 1.98 0.00 22 H 8.05 4.74 0.00 2.12 2.46 0.00 5.49 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 23 G 9.01 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.52 0.00 2.23 2.11 0.00 3.87 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 25 V 8.31 4.07 2.15 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 1.00 0.00 0.00 1.05 0.00 0.00 26 V 7.55 4.29 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 0.78 0.00 0.00 0.89 0.00 0.00 27 G 8.57 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 28 S 7.69 3.95 0.00 3.93 3.95 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 29 T 7.22 4.04 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 1.06 0.00 0.00 30 R 8.03 4.04 0.00 2.06 2.07 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 31 R 7.72 3.80 0.00 1.91 1.87 0.00 3.30 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 32 L 7.84 3.81 0.00 1.58 1.41 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.58 4.68 0.00 3.13 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 34 E 7.93 4.38 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 35 K 8.03 4.36 0.00 1.82 1.99 0.00 1.50 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.62 7.81 36 K 7.79 4.21 0.00 1.89 1.98 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.58 1.71 7.81 37 I 7.08 3.80 2.07 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 1.33 1.01 0.78 0.00 0.00 38 F 8.37 4.26 0.00 3.26 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 39 E 8.25 4.17 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 40 Y 8.16 4.19 0.00 3.10 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.82 0.00 1.98 1.92 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 2.27 2.20 0.00 42 T 8.14 4.76 4.43 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 1.32 0.00 0.00 43 Q 7.65 4.76 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.75 0.00 0.00 0.00 0.00 0.00 2.10 2.43 0.00 44 R 6.77 4.62 0.00 1.74 1.70 0.00 3.13 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 45 R 7.63 2.98 0.00 0.90 1.62 0.00 2.49 0.00 0.00 3.78 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.24 0.00 46 R 7.01 4.24 0.00 1.68 1.83 0.00 3.41 0.00 0.00 3.43 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 47 L 7.91 3.58 0.00 1.78 1.68 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.06 4.06 0.00 3.99 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 49 P 0.00 4.51 0.00 2.20 2.13 0.00 3.76 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 1.97 1.95 0.00 50 P 0.00 4.35 0.00 2.20 2.21 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 51 S 7.43 4.56 0.00 3.96 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 52 S 6.97 4.47 0.00 3.78 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.83 4.19 0.00 3.85 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