NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0109 8.0544 120.3924 62.4562 32.8350 174.6291 10 N 4.3520 8.4865 125.7964 52.6551 39.2585 170.9824 11 V 3.4307 9.3408 120.4557 63.7363 32.7289 176.1062 12 Q 4.5754 7.9600 116.0749 55.4613 30.2338 175.8596 13 R 4.5291 8.5571 120.1409 52.8796 30.2344 173.5671 14 P 4.3142 0.0000 0.0000 64.7728 31.7849 177.5441 15 L 4.0235 7.8905 116.9504 57.0437 41.4295 178.7420 16 D 4.4666 8.0908 118.6948 56.8439 40.4206 178.2771 17 A 3.9474 7.7323 121.0570 54.9720 18.5711 179.3585 18 L 3.9997 7.5618 117.3382 57.5973 41.3727 179.5648 19 G 4.0167 7.9645 105.2272 48.1817 0.0000 174.7355 20 N 4.6587 8.3741 116.2440 54.3527 38.9598 176.3693 21 S 4.6447 8.2365 116.6118 56.9469 63.8356 173.7939 22 L 4.3117 7.1416 122.1300 56.6487 41.8760 176.4413 23 N 4.3077 9.4851 118.1366 54.2564 37.0588 174.1531 24 S 4.9196 7.7482 112.5679 55.8022 67.0419 172.0038 25 P 4.8801 0.0000 0.0000 63.1336 31.9418 176.1681 26 V 4.7912 8.8234 115.4098 60.0085 36.9632 173.9008 27 I 4.8976 8.8420 123.5286 59.7414 39.8569 174.6855 28 I 4.7637 9.3006 128.8245 59.4819 39.4314 174.4462 29 K 4.4281 8.4224 129.7229 54.8409 33.0648 175.5315 30 L 5.1151 8.4937 127.2581 52.5668 44.7988 176.3804 31 K 3.9532 8.6692 121.0195 58.0087 32.7684 177.9481 32 G 3.8201 8.6700 110.0252 44.9510 0.0000 173.6268 33 D 4.3012 7.6258 115.3693 54.8867 39.3034 174.1668 34 R 4.2020 7.2875 117.2563 56.1860 31.6677 175.2085 35 E 5.0180 8.2657 120.8496 54.5628 33.3322 174.1523 36 F 5.3251 9.3288 124.4351 55.8181 43.3719 174.2239 37 R 5.0531 9.0128 120.4038 54.4867 34.5146 174.9091 38 G 4.2376 8.1431 108.8016 46.1305 0.0000 171.6371 39 V 4.5843 7.7888 120.4110 61.7497 32.7630 175.0893 40 L 4.4400 8.7160 131.2182 55.5394 42.2785 176.9787 41 K 4.2533 9.1325 126.3908 57.9073 34.2031 176.2607 42 S 4.6723 7.5149 112.2657 57.5132 66.0195 172.7224 43 F 5.8778 7.7932 115.6960 57.5010 40.0561 172.1944 44 D 5.0300 8.3284 118.7209 50.9366 42.3764 176.2723 45 L 3.9927 8.4468 118.2139 59.1393 40.4407 177.6267 46 H 4.5074 8.1963 114.4447 55.9843 28.8709 175.7187 47 M 3.0853 8.3573 118.2740 56.1230 29.9478 176.5503 48 N 4.9954 8.4949 116.9421 53.5387 40.0348 174.1566 49 L 5.1720 8.9801 121.3652 54.7566 44.8685 174.2876 50 V 4.8790 8.7263 119.3641 61.1091 34.4132 174.1999 51 L 5.3635 8.8435 126.9529 53.0899 45.2826 175.0420 52 N 5.2661 8.9578 119.6559 52.1549 41.3336 174.8155 53 D 4.3940 9.3070 120.2298 54.0506 39.3430 174.2178 54 A 4.5956 7.8768 118.8944 52.6467 20.1235 177.3031 55 E 5.0968 9.2314 118.2687 54.7813 34.2404 174.2384 56 E 4.3329 9.0432 125.1497 54.6205 31.5722 174.6730 57 L 5.2811 8.4002 125.4457 53.2092 45.6956 176.2506 58 E 4.3195 9.0194 120.3273 56.3346 33.1070 175.2073 59 D 4.3964 10.0596 121.9842 55.0898 39.7667 173.9442 60 G 3.9731 8.7050 103.1796 44.5343 0.0000 173.1920 61 E 4.6096 8.1354 120.4590 53.4369 32.2724 175.6424 62 V 4.1407 8.3033 124.6298 64.1072 32.2364 175.2270 63 T 4.5389 8.6303 117.8741 64.7967 71.8367 174.3833 64 R 4.7280 7.7711 118.9836 54.8705 34.0904 173.5691 65 R 4.9830 8.5929 122.2679 54.3848 32.2874 175.2948 66 L 4.7814 9.1218 123.5095 53.0429 45.1925 177.8101 67 G 3.7649 8.7969 109.2145 49.0960 0.0000 173.9307 68 T 5.3290 7.5663 115.7549 62.3455 72.6478 173.9334 69 V 4.4602 8.8116 125.4192 59.8949 35.3593 173.7390 70 L 4.9165 8.4765 125.1758 53.6911 43.4558 175.1490 71 I 4.3877 8.7754 127.7408 59.4402 39.5998 175.5164 72 R 4.5303 8.4994 126.0849 55.5409 31.0732 177.6383 73 G 4.1912 9.5119 112.2694 48.2157 0.0000 175.1492 74 D 4.2917 8.1550 118.0399 56.4261 41.3150 176.3575 75 N 4.7297 7.9248 115.0408 53.3056 39.1170 174.5984 76 I 4.4583 7.6500 120.6015 60.8742 38.2310 175.5457 77 V 4.2075 8.9135 126.3613 64.7359 31.9766 175.2842 78 Y 5.0252 7.1876 116.2728 55.8819 41.5612 172.9115 79 I 4.9802 8.5035 120.3806 59.6742 40.4362 174.8338 80 S 4.6463 9.2991 122.7454 55.5688 64.6308 172.3416 81 P 4.4476 0.0000 0.0000 62.9056 31.0719 176.4744 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 9 V 8.05 4.01 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 0.96 0.00 0.00 0.92 0.00 0.00 10 N 8.49 4.35 0.00 2.86 2.68 0.00 0.00 6.99 6.83 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 11 V 9.34 3.43 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 7.96 4.58 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.17 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 13 R 8.56 4.53 0.00 1.78 2.03 0.00 3.17 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 14 P 0.00 4.31 0.00 2.18 2.07 0.00 3.65 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 2.10 2.16 0.00 15 L 7.89 4.02 0.00 1.68 1.76 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.09 4.47 0.00 2.81 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 17 A 7.73 3.95 1.33 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 0.00 0.00 18 L 7.56 4.00 0.00 0.58 0.61 0.33 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 4.66 0.00 2.70 2.89 0.00 0.00 6.97 8.38 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 21 S 8.24 4.64 0.00 3.91 3.87 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 22 L 7.14 4.31 0.00 1.68 1.68 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.49 4.31 0.00 2.83 2.90 0.00 0.00 6.76 7.54 0.00 0.00 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 S 7.75 4.92 0.00 3.92 3.72 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 0.00 0.00 0.00 0.00 25 P 0.00 4.88 0.00 1.95 2.00 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 26 V 8.82 4.79 2.11 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 0.92 0.00 0.00 1.03 0.00 0.00 27 I 8.84 4.90 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.97 0.00 0.00 28 I 9.30 4.76 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.12 0.90 0.00 0.00 29 K 8.42 4.43 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.00 1.18 7.81 30 L 8.49 5.12 0.00 1.65 1.65 1.12 0.79 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 31 K 8.67 3.95 0.00 1.72 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.54 7.81 32 G 8.67 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.63 4.30 0.00 2.84 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 34 R 7.29 4.20 0.00 1.90 1.74 0.00 3.15 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 35 E 8.27 5.02 0.00 1.89 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 36 F 9.33 5.33 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.01 5.05 0.00 1.75 1.79 0.00 3.20 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 38 G 8.14 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 39 V 7.79 4.58 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 0.97 0.00 0.00 0.95 0.00 0.00 40 L 8.72 4.44 0.00 1.88 1.59 1.09 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.13 4.25 0.00 1.63 1.83 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.66 7.81 42 S 7.51 4.67 0.00 3.81 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.79 5.88 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.33 5.03 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 3.99 0.00 1.75 1.84 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.20 4.51 0.00 3.38 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.36 3.09 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 48 N 8.49 5.00 0.00 2.98 2.75 0.00 0.00 6.55 6.34 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 49 L 8.98 5.17 0.00 1.90 1.83 0.90 1.01 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 50 V 8.73 4.88 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 1.03 0.00 0.00 0.92 0.00 0.00 51 L 8.84 5.36 0.00 1.57 1.52 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.96 5.27 0.00 2.64 2.71 0.00 0.00 6.99 7.68 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 53 D 9.31 4.39 0.00 2.78 2.76 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 54 A 7.88 4.60 1.33 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 0.00 0.00 55 E 9.23 5.10 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 56 E 9.04 4.33 0.00 1.71 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.47 0.00 57 L 8.40 5.28 0.00 1.36 1.44 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.02 4.32 0.00 1.88 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 59 D 10.06 4.40 0.00 2.74 2.68 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 60 G 8.71 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 61 E 8.14 4.61 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 62 V 8.30 4.14 2.06 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 0.86 0.00 0.00 0.92 0.00 0.00 63 T 8.63 4.54 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 1.20 0.00 0.00 64 R 7.77 4.73 0.00 1.84 1.72 0.00 3.20 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 65 R 8.59 4.98 0.00 1.72 1.82 0.00 3.38 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 66 L 9.12 4.78 0.00 1.58 1.54 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.80 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 0.00 0.00 0.00 68 T 7.57 5.33 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 1.20 0.00 0.00 69 V 8.81 4.46 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 0.51 0.00 0.00 0.73 0.00 0.00 70 L 8.48 4.92 0.00 1.61 1.56 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.78 4.39 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.36 0.81 0.00 0.00 72 R 8.50 4.53 0.00 1.85 1.83 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 73 G 9.51 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.16 4.29 0.00 2.65 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 75 N 7.92 4.73 0.00 2.73 2.82 0.00 0.00 6.82 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.65 4.46 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.92 0.00 0.00 77 V 8.91 4.21 2.02 0.00 0.00 0.00 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 0.92 0.00 0.00 78 Y 7.19 5.03 0.00 3.00 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 79 I 8.50 4.98 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.91 0.00 0.00 80 S 9.30 4.65 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.45 0.00 2.08 1.95 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00