NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2477 8.1576 121.7830 55.9161 33.8848 175.0653 3 V 4.1892 7.2201 116.0441 62.7300 34.4473 168.0686 4 R 4.3705 8.8327 119.9681 57.4135 35.3409 176.1117 5 A 4.3124 8.2761 117.2392 52.2975 21.6235 175.7516 6 S 3.5842 8.4843 109.4455 59.0122 60.0774 170.9340 7 V 4.4980 7.5953 120.7174 60.5271 34.3192 175.2319 8 K 4.4030 8.7331 122.7702 55.9733 33.3189 175.6487 9 R 3.8649 7.8521 118.4788 57.5069 26.5744 176.1019 10 I 2.7832 6.0351 113.8141 61.2544 38.8766 175.5542 11 C 4.8951 7.9864 115.0482 56.3271 32.8509 175.1384 12 D 4.3823 8.6800 120.2551 57.4682 40.7482 178.2394 13 K 3.9866 8.2648 118.1233 59.8775 32.4342 176.8919 14 C 4.9241 7.9418 117.0821 59.7075 25.6569 172.7961 15 K 4.2407 7.6832 121.8022 55.6424 33.8456 177.1516 16 V 3.8685 8.3696 124.1795 63.0873 31.7074 175.7926 17 I 4.0288 7.8873 129.5468 60.2406 37.2930 176.3744 18 R 4.2586 8.2946 127.3023 54.3316 30.5858 175.2672 19 R 4.4886 7.6019 122.4360 55.0907 34.1048 178.2033 20 H 3.7192 9.0752 117.0766 56.7826 31.3094 174.7890 21 G 4.1232 8.6956 108.5450 45.5722 0.0000 173.4844 22 R 4.1255 7.7286 117.7110 56.1217 30.2850 177.1143 23 V 4.1472 8.2052 123.4883 61.5590 29.8430 174.4713 24 Y 4.8534 7.1210 120.1670 55.5120 39.2867 176.3126 25 V 4.2519 8.2252 125.6606 61.8309 33.2495 175.1879 26 I 4.9975 8.9221 123.1530 60.8018 41.4470 174.9305 27 C 5.4837 8.0181 121.7748 57.3613 31.7182 173.0583 28 E 4.0134 8.8703 117.2372 58.8945 29.9508 177.3859 29 N 4.5191 7.9194 118.3997 52.3474 39.1507 173.4087 30 P 4.5351 0.0000 0.0000 63.9209 31.5373 177.0056 31 K 4.3506 7.4876 118.2749 57.7913 32.9888 176.7007 32 H 4.8517 8.3616 115.8363 55.4604 29.0195 174.2142 33 K 4.7486 7.9286 118.1167 55.3477 34.3346 174.9402 34 Q 4.8956 8.4337 119.5641 54.1689 33.6455 175.0000 35 R 4.5921 8.2698 118.7542 55.3130 33.4302 175.2510 36 Q 4.2314 8.3320 124.7354 56.3455 28.6633 175.9149 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 2 K 8.16 4.25 0.00 1.81 1.98 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 3 V 7.22 4.19 2.10 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 0.69 0.00 0.00 0.94 0.00 0.00 4 R 8.83 4.37 0.00 1.73 1.91 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 5 A 8.28 4.31 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 3.58 0.00 3.92 3.81 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 7 V 7.60 4.50 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 0.95 0.00 0.00 0.99 0.00 0.00 8 K 8.73 4.40 0.00 1.73 1.78 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.44 7.81 9 R 7.85 3.86 0.00 1.90 2.18 0.00 3.27 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 10 I 6.04 2.78 1.90 0.00 0.00 0.84 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 0.86 0.77 0.00 0.00 11 C 7.99 4.90 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.38 0.00 2.69 2.78 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 13 K 8.26 3.99 0.00 1.79 1.86 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.47 7.81 14 C 7.94 4.92 0.00 3.20 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.24 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.66 7.81 16 V 8.37 3.87 2.05 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 0.74 0.00 0.00 0.92 0.00 0.00 17 I 7.89 4.03 1.76 0.00 0.00 0.94 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 0.91 0.79 0.00 0.00 18 R 8.29 4.26 0.00 1.68 1.78 0.00 3.10 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 19 R 7.60 4.49 0.00 1.70 1.69 0.00 3.21 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 20 H 9.08 3.72 0.00 3.24 3.32 0.00 5.92 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 21 G 8.70 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.73 4.13 0.00 2.36 2.21 0.00 2.88 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 23 V 8.21 4.15 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 1.00 0.00 0.00 0.93 0.00 0.00 24 Y 7.12 4.85 0.00 3.38 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 25 V 8.23 4.25 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 0.85 0.00 0.00 1.08 0.00 0.00 26 I 8.92 5.00 1.97 0.00 0.00 0.96 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 0.48 0.96 0.00 0.00 27 C 8.02 5.48 0.00 2.88 3.08 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 0.00 0.00 0.00 0.00 28 E 8.87 4.01 0.00 1.94 1.99 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 2.28 2.29 0.00 29 N 7.92 4.52 0.00 2.53 2.73 0.00 0.00 7.25 7.71 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 30 P 0.00 4.54 0.00 2.09 2.09 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 31 K 7.49 4.35 0.00 2.05 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.55 7.81 32 H 8.36 4.85 0.00 3.35 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.93 4.75 0.00 1.87 1.94 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81 34 Q 8.43 4.90 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 35 R 8.27 4.59 0.00 1.72 1.83 0.00 3.22 0.00 0.00 2.84 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.58 0.00 36 Q 8.33 4.23 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00