NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1253 8.2549 117.2582 54.8598 30.9196 175.1921 2 P 4.0097 0.0000 0.0000 62.1526 32.0225 175.6482 3 D 4.3720 8.6035 121.8988 57.5162 41.4814 178.8793 4 F 4.4015 7.9133 114.1672 59.5667 37.7148 177.8065 5 C 4.5635 7.4248 116.4452 59.1435 39.9950 174.7506 6 L 4.3173 7.8087 119.1381 54.2414 41.8685 176.5473 7 E 4.4567 7.2397 117.4053 54.3842 30.9354 174.7423 8 P 4.4005 0.0000 0.0000 61.6229 32.0259 174.9448 9 P 3.7161 0.0000 0.0000 62.5552 31.5679 175.3407 10 Y 4.5941 7.5265 120.9429 56.0596 40.2652 175.4061 11 T 4.2086 8.2377 125.4892 64.8067 68.8811 176.1036 12 G 3.6210 6.9073 105.8454 44.1000 0.0000 171.0198 13 P 4.3727 0.0000 0.0000 63.7532 31.8830 177.1122 14 C 4.5494 7.7597 117.2230 56.8495 40.9937 173.5772 15 K 4.3658 8.1549 117.0178 56.1842 32.0521 176.4545 16 A 4.1813 7.7888 122.2891 52.0876 19.8887 177.8488 17 R 4.6727 8.2808 117.4332 53.9857 31.1269 173.6208 18 I 4.4862 8.3116 122.8049 59.0328 40.2912 174.6349 19 I 4.2366 8.3111 127.9594 61.1857 37.7281 175.4717 20 R 4.6798 8.4887 125.1293 54.5636 34.6416 173.8846 21 Y 5.4008 9.4537 118.3964 56.9195 40.6697 175.0103 22 F 5.7711 9.5743 116.3363 55.9259 42.2107 172.3787 23 Y 4.4713 9.6044 121.8348 56.5919 40.2030 174.0030 24 N 4.7227 8.2930 126.7910 52.2729 38.7675 175.4680 25 A 3.8120 8.4788 130.0734 54.2185 18.9527 178.3457 26 K 4.0517 8.0483 116.5035 58.3707 32.4558 177.4960 27 A 4.2479 8.0219 119.5924 51.6190 19.6814 177.5261 28 G 3.9030 8.3060 103.6648 45.4636 0.0000 172.7713 29 L 4.8111 6.8554 118.5422 53.6722 44.7336 174.6725 30 V 4.3397 8.2190 119.2055 62.6051 32.3757 174.7924 31 Q 4.9108 8.5187 126.4416 54.4550 33.1764 173.7691 32 T 5.4698 8.6534 108.6524 60.6606 72.1087 172.7505 33 F 5.0012 8.9393 116.4969 55.6203 42.1352 173.1724 34 V 4.2419 8.3771 119.5924 62.1177 32.3084 174.1714 35 Y 4.7977 8.8767 130.3457 56.2556 40.1818 176.3321 36 G 3.6973 8.3561 113.6423 46.3592 0.0000 175.0565 37 G 3.7538 6.8570 108.0339 44.9368 0.0000 172.0577 38 C 4.9158 6.9888 112.7068 54.8459 44.5580 173.5392 39 R 4.5188 8.8471 116.3964 56.8412 27.0743 176.7218 40 A 4.1520 7.5218 118.5609 52.8524 18.7793 178.7098 41 K 4.3770 8.3212 121.0023 54.8500 33.9781 177.2306 42 R 3.6645 8.1558 118.1710 59.0977 30.3344 177.5083 43 N 4.9429 7.8616 118.0528 51.4954 36.6597 173.9966 44 N 5.0810 6.8920 117.0931 52.8376 41.8050 173.5098 45 F 5.1038 9.7655 125.5645 55.7419 42.7421 176.6096 46 K 4.5223 9.1192 119.6574 57.6980 32.6673 177.4762 47 S 4.2911 7.6626 112.9542 55.5258 67.0596 174.6275 48 A 3.4633 7.1222 124.4334 54.9818 18.0377 179.6154 49 E 3.7389 7.8413 117.3327 59.5854 29.6997 178.5967 50 D 4.2861 8.0224 118.5908 57.3183 40.8294 178.7807 51 A 2.5800 7.4475 121.1488 54.7019 18.3462 179.5851 52 M 3.8721 7.9887 117.3926 58.6883 31.8567 179.2751 53 R 3.8684 7.8499 116.9970 59.5148 30.2693 179.0394 54 T 4.0714 7.5611 114.5919 65.8980 68.6886 175.4623 55 C 4.4749 7.6935 114.8887 55.3792 41.4708 174.5546 56 G 3.6591 7.3029 110.8151 45.2083 0.0000 174.2350 57 G 3.6408 8.3930 110.2771 45.4990 0.0000 173.6002 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 R 8.25 4.13 0.00 1.74 1.82 0.00 2.93 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 0.00 2 P 0.00 4.01 0.00 1.09 1.82 0.00 3.33 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.05 0.00 3 D 8.60 4.37 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 4 F 7.91 4.40 0.00 3.31 3.35 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 0.00 5 C 7.42 4.56 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.32 0.00 1.74 1.77 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.24 4.46 0.00 2.05 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 2.47 2.30 0.00 8 P 0.00 4.40 0.00 2.02 1.99 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 9 P 0.00 3.72 0.00 0.49 0.49 0.00 3.43 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.00 10 Y 7.53 4.59 0.00 2.75 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 11 T 8.24 4.21 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 G 6.91 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.17 2.18 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 14 C 7.76 4.55 0.00 2.84 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 15 K 8.15 4.37 0.00 1.65 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.29 7.81 16 A 7.79 4.18 1.19 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 17 R 8.28 4.67 0.00 1.60 1.79 0.00 3.13 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 18 I 8.31 4.49 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.96 0.00 0.00 19 I 8.31 4.24 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.62 0.00 0.00 20 R 8.49 4.68 0.00 0.67 1.70 0.00 3.47 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 21 Y 9.45 5.40 0.00 3.31 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 22 F 9.57 5.77 0.00 3.34 3.24 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 23 Y 9.60 4.47 0.00 3.07 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 24 N 8.29 4.72 0.00 2.14 2.42 0.00 0.00 6.66 7.64 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 25 A 8.48 3.81 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.05 4.05 0.00 1.75 1.90 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.37 7.81 27 A 8.02 4.25 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 29 L 6.86 4.81 0.00 1.66 1.70 0.79 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.22 4.34 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 1.00 0.00 0.00 0.99 0.00 0.00 31 Q 8.52 4.91 0.00 1.57 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 32 T 8.65 5.47 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 0.58 0.00 0.00 33 F 8.94 5.00 0.00 2.89 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 34 V 8.38 4.24 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.88 4.80 0.00 2.52 2.72 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 36 G 8.36 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.86 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.99 4.92 0.00 3.08 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 39 R 8.85 4.52 0.00 2.24 2.29 0.00 3.29 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 7.52 4.15 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.38 0.00 1.72 1.81 0.00 1.37 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.07 0.92 7.81 42 R 8.16 3.66 0.00 1.56 0.90 0.00 3.01 0.00 0.00 2.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.37 0.00 43 N 7.86 4.94 0.00 3.19 2.87 0.00 0.00 6.92 8.32 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 44 N 6.89 5.08 0.00 2.74 2.60 0.00 0.00 7.09 7.02 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 45 F 9.77 5.10 0.00 3.31 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 46 K 9.12 4.52 0.00 1.84 1.94 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.48 7.81 47 S 7.66 4.29 0.00 3.78 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 48 A 7.12 3.46 1.01 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 0.00 0.00 0.00 0.00 0.00 49 E 7.84 3.74 0.00 1.96 1.87 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 2.31 2.34 0.00 50 D 8.02 4.29 0.00 3.00 2.90 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 51 A 7.45 2.58 1.15 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 52 M 7.99 3.87 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 53 R 7.85 3.87 0.00 1.68 1.94 0.00 3.13 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 54 T 7.56 4.07 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 1.53 0.00 0.00 55 C 7.69 4.47 0.00 2.64 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 0.00 0.00 0.00 56 G 7.30 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 0.00 0.00 0.00 57 G 8.39 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