NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4669 8.1927 115.2983 57.9011 63.6967 173.7418 4 F 3.9206 9.0940 130.3494 60.6038 39.2081 175.1654 5 L 3.8427 8.3093 119.6944 58.0324 42.4145 177.7510 6 L 3.9498 8.1789 120.7553 58.4812 42.0409 179.2682 7 S 4.8191 7.8154 114.8440 60.7390 63.0632 176.6902 8 K 3.8032 7.5952 121.7296 59.1363 31.7626 179.3675 9 V 3.7013 7.9303 118.8792 66.1914 31.4890 178.2667 10 S 4.2302 8.2424 113.8867 61.0348 62.8736 176.0428 11 F 3.9367 8.1504 124.2703 61.3494 39.0920 177.3528 12 V 3.5505 7.8883 117.3692 65.6030 31.1348 178.0131 13 I 3.7919 7.8328 119.8311 64.2693 36.9936 177.9628 14 K 3.8668 7.9609 120.2503 59.4723 31.9347 178.4245 15 K 3.6622 7.8090 119.6826 59.6797 32.0457 178.7871 16 I 3.6786 7.8005 119.9709 64.1178 36.9993 178.1648 17 R 3.8633 8.1808 119.9037 59.7095 29.8651 178.5648 18 L 3.9853 7.9957 118.5002 57.8202 41.3621 179.3283 19 E 3.9809 8.0670 117.6308 59.2530 29.5178 178.8818 20 K 4.2917 8.3748 116.0432 56.2119 32.1993 177.4595 21 G 3.9038 7.8200 107.2556 46.6255 0.0000 173.4977 22 M 4.6824 7.8100 118.4281 53.6296 33.9820 176.8942 23 T 4.3771 8.9716 113.4554 60.6673 71.7803 176.1062 24 Q 3.9993 8.4624 119.5466 59.2533 28.5807 178.9752 25 E 4.0078 8.2001 118.9002 59.5457 29.5163 178.8351 26 D 4.4448 8.1367 118.7600 57.5327 40.9681 178.8715 27 L 3.9595 8.1106 120.3215 57.9158 42.1001 178.5833 28 A 4.0227 8.4843 121.2395 55.5277 18.4058 178.9719 29 Y 4.0280 8.3828 118.1478 60.9512 38.6897 178.5057 30 K 3.8400 8.1934 117.9797 58.7642 32.5214 178.7467 31 S 4.3908 8.1571 114.3808 57.9283 62.8970 174.7352 32 N 4.1335 7.3478 116.7513 54.0867 36.1700 173.8217 33 L 4.6694 7.4899 117.1617 52.7641 44.6576 176.2924 34 D 4.6289 8.2287 118.6238 53.7361 43.1267 176.8012 35 R 3.9930 8.6988 125.5743 59.9750 30.1668 179.4259 36 T 3.8752 8.1220 108.7015 64.9594 68.1531 175.6824 37 Y 4.1451 7.9997 121.9350 60.4141 38.9162 177.6657 38 I 3.6149 7.7653 120.3605 64.3375 37.1371 178.0533 39 S 4.2548 8.3306 114.4124 61.6301 62.1930 176.6167 40 G 3.5478 8.4318 108.5168 47.7779 0.0000 175.7196 41 I 3.5650 7.6231 122.2713 64.1897 36.9057 178.3510 42 E 4.1023 7.9713 117.6687 58.4023 29.3712 178.4422 43 R 4.3070 7.3400 116.3405 55.2593 30.7266 176.1845 44 N 4.2683 7.9321 115.8909 54.1578 36.6916 175.0832 45 S 4.6401 7.9567 110.4043 57.7975 63.2790 173.8702 46 R 4.6342 7.5437 118.0359 54.9495 33.6004 174.4678 47 N 4.7074 8.6290 119.9985 52.7099 40.0857 173.8317 48 L 4.9206 8.4112 123.4434 51.7569 44.9684 176.9476 49 T 4.4390 8.3624 116.1871 60.8740 71.5124 175.7796 50 I 3.7297 8.2107 122.2361 64.6223 37.0998 178.8803 51 K 3.9889 8.0147 118.8307 59.4743 31.8570 179.4922 52 S 4.1452 8.1519 115.6295 61.2921 62.7032 176.2675 53 L 3.8348 8.0930 123.2011 58.2196 41.9115 178.6330 54 E 3.8364 8.3953 119.3599 59.2902 29.4411 178.7597 55 L 3.9699 7.8903 118.9650 57.8399 41.5742 179.6163 56 I 3.7551 7.9140 121.4406 64.1471 37.0657 178.4143 57 M 3.8927 8.2046 119.9436 58.0799 31.7213 178.8127 58 K 4.0273 8.0115 119.8208 59.3832 32.1741 179.1387 59 G 3.6355 8.0525 105.1944 47.7484 0.0000 175.1676 60 L 4.1394 8.1703 119.5217 54.5534 42.5636 176.5217 61 E 3.8074 7.7671 117.4265 57.6701 27.3959 174.7773 62 V 4.5156 7.6421 116.2996 59.2781 34.5981 176.6441 63 S 4.4053 8.3632 117.0709 57.9416 65.2260 174.7057 64 D 4.3856 8.7367 123.4217 57.9910 40.6590 179.3342 65 V 3.7606 7.9666 117.5529 66.5001 31.5267 178.1378 66 V 3.6888 7.7370 111.3136 64.3634 31.3950 178.2594 67 F 3.8798 8.2979 120.1805 61.5762 39.2545 177.3779 68 F 4.4279 8.3398 117.1462 60.2362 38.6656 177.3778 69 E 4.0033 8.8692 119.7240 59.6804 29.4423 178.8690 70 M 4.0494 8.1396 118.7001 57.9437 31.9008 178.4999 71 L 3.8077 7.5609 120.6416 58.1430 42.2984 179.0599 72 I 3.6957 7.8274 119.6345 64.3344 36.6631 178.0656 73 K 3.8258 7.9375 120.3689 59.7351 31.6826 178.3265 74 E 3.8794 7.9793 118.1875 59.3851 29.6862 178.6023 75 I 3.8992 8.0270 119.0594 64.1617 37.1569 177.9972 76 L 4.2501 7.8689 119.2598 55.8167 41.8946 177.8169 77 K 3.8125 7.0330 116.8376 57.1448 32.4846 175.6143 78 H 4.8484 8.7416 117.7891 54.0993 31.2605 173.0195 79 D 4.6959 9.1921 122.1572 54.4793 40.4978 175.8290 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 3 S 8.19 4.47 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 9.09 3.92 0.00 3.19 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 5 L 8.31 3.84 0.00 1.95 1.73 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.18 3.95 0.00 1.76 1.77 0.97 1.17 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 7 S 7.82 4.82 0.00 4.08 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 0.00 8 K 7.60 3.80 0.00 1.76 1.74 0.00 1.39 0.00 0.00 1.20 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.72 1.06 7.81 9 V 7.93 3.70 2.28 0.00 0.00 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 1.11 0.00 0.00 10 S 8.24 4.23 0.00 4.21 4.10 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 11 F 8.15 3.94 0.00 3.30 3.23 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 0.00 12 V 7.89 3.55 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 0.35 0.00 0.00 0.90 0.00 0.00 13 I 7.83 3.79 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.91 0.00 0.00 14 K 7.96 3.87 0.00 1.81 1.66 0.00 1.54 0.00 0.00 1.40 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.53 7.81 15 K 7.81 3.66 0.00 1.50 1.76 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.36 7.81 16 I 7.80 3.68 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.93 0.00 0.00 17 R 8.18 3.86 0.00 1.91 2.09 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 18 L 8.00 3.99 0.00 1.80 1.65 0.84 0.76 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 19 E 8.07 3.98 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 20 K 8.37 4.29 0.00 1.69 1.85 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.74 7.81 21 G 7.82 3.90 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 0.00 0.00 0.00 22 M 7.81 4.68 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 23 T 8.97 4.38 4.35 0.00 0.00 0.00 0.00 0.00 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 24 Q 8.46 4.00 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 25 E 8.20 4.01 0.00 2.05 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 0.00 2.41 2.49 0.00 26 D 8.14 4.44 0.00 3.00 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 27 L 8.11 3.96 0.00 1.78 1.83 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.48 4.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.38 4.03 0.00 2.99 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.84 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.77 1.68 7.81 31 S 8.16 4.39 0.00 3.95 3.89 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 32 N 7.35 4.13 0.00 2.95 2.87 0.00 0.00 6.84 7.73 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 33 L 7.49 4.67 0.00 1.71 1.69 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.23 4.63 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.70 3.99 0.00 1.92 2.01 0.00 3.21 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 36 T 8.12 3.88 4.29 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 1.24 0.00 0.00 37 Y 8.00 4.15 0.00 3.06 3.20 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 38 I 7.77 3.61 2.03 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 1.68 0.69 0.90 0.00 0.00 39 S 8.33 4.25 0.00 3.95 4.05 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 0.00 0.00 0.00 0.00 40 G 8.43 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.56 1.77 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.03 0.81 0.00 0.00 42 E 7.97 4.10 0.00 1.91 1.97 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 2.30 2.45 0.00 43 R 7.34 4.31 0.00 1.95 1.94 0.00 3.30 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 44 N 7.93 4.27 0.00 2.93 2.89 0.00 0.00 6.52 7.43 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 45 S 7.96 4.64 0.00 3.98 3.90 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 46 R 7.54 4.63 0.00 1.56 1.79 0.00 3.39 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 47 N 8.63 4.71 0.00 2.71 2.75 0.00 0.00 6.76 7.78 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 48 L 8.41 4.92 0.00 1.55 1.50 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.36 4.44 4.27 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 1.25 0.00 0.00 50 I 8.21 3.73 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 0.95 0.00 0.00 51 K 8.01 3.99 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 52 S 8.15 4.15 0.00 4.13 4.11 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 0.00 0.00 0.00 0.00 53 L 8.09 3.83 0.00 1.88 1.74 0.89 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.40 3.84 0.00 2.15 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 0.00 2.27 2.33 0.00 55 L 7.89 3.97 0.00 1.92 1.67 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.91 3.76 1.91 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 1.55 1.31 0.86 0.00 0.00 57 M 8.20 3.89 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.73 0.00 58 K 8.01 4.03 0.00 1.95 1.94 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 G 8.05 3.64 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 0.00 0.00 0.00 60 L 8.17 4.14 0.00 1.75 1.75 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.77 3.81 0.00 2.11 2.00 0.00 0.00 0.00 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 2.22 0.00 62 V 7.64 4.52 2.12 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 0.85 0.00 0.00 0.99 0.00 0.00 63 S 8.36 4.41 0.00 4.10 4.05 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 0.00 0.00 0.00 0.00 64 D 8.74 4.39 0.00 2.86 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 65 V 7.97 3.76 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 1.05 0.00 0.00 1.01 0.00 0.00 66 V 7.74 3.69 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 0.75 0.00 0.00 0.95 0.00 0.00 67 F 8.30 3.88 0.00 2.99 2.82 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 68 F 8.34 4.43 0.00 3.24 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 69 E 8.87 4.00 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 70 M 8.14 4.05 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 71 L 7.56 3.81 0.00 1.84 1.84 1.18 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.83 3.70 2.04 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 1.45 0.60 0.94 0.00 0.00 73 K 7.94 3.83 0.00 2.01 1.88 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 74 E 7.98 3.88 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.09 0.00 75 I 8.03 3.90 2.04 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 1.60 0.71 1.06 0.00 0.00 76 L 7.87 4.25 0.00 1.92 1.75 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.03 3.81 0.00 1.70 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.56 7.81 78 H 8.74 4.85 0.00 3.15 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 9.19 4.70 0.00 2.76 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