NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4880 8.3049 120.3693 55.9018 33.7358 174.7190 2 I 2.6670 8.1663 115.0406 60.2480 36.1510 169.0615 3 V 2.9361 8.5498 125.5030 61.9704 32.6979 173.8220 4 P 4.2602 0.0000 0.0000 62.6130 31.7916 176.0948 5 V 3.8195 8.2280 122.0178 63.2628 32.3987 173.5446 6 R 3.8550 8.4671 128.2191 54.7671 29.7504 175.3188 7 C 4.2077 8.2739 120.1444 58.6875 32.3247 173.9406 8 F 4.4010 8.9510 126.5235 61.3119 38.7284 177.2354 9 S 4.2735 8.2692 114.7233 61.3153 62.7912 174.9644 10 C 4.4535 8.0526 111.4572 57.4321 30.5526 174.7243 11 G 3.8583 8.4207 109.1066 45.0483 0.0000 173.4367 12 K 3.9403 8.0108 121.5865 56.9101 32.2959 175.7773 13 V 3.4906 7.7400 119.0768 61.1059 32.2465 177.0128 14 V 4.4047 8.1043 119.3645 63.7839 33.9828 174.9783 15 G 3.7500 8.1422 109.0930 48.7699 0.0000 175.3610 16 D 4.4789 8.2738 119.4630 56.4438 39.8608 178.5072 17 K 3.9672 9.3795 120.5219 58.1265 32.2487 177.9336 18 W 4.7954 8.8049 129.9288 59.4477 30.3983 177.0472 19 E 3.6715 8.4464 117.1378 59.8189 29.3167 179.4456 20 S 4.0804 8.2025 114.1751 61.9835 62.6936 176.0284 21 Y 4.0238 7.7443 120.1830 60.9598 38.9020 177.8921 22 L 3.5922 7.6685 119.6439 57.5443 41.5116 179.3232 23 N 4.3426 7.8149 116.0744 55.6473 38.9917 177.4609 24 L 4.1702 7.8351 116.2165 55.5084 40.9610 177.5380 25 L 4.4393 8.0688 118.3627 56.5226 43.3911 178.4080 26 Q 3.8998 7.2371 118.0467 59.0335 29.2272 177.1051 27 E 4.0071 7.4904 118.4682 59.1985 30.3859 178.9939 28 D 4.3403 8.1580 114.7110 56.1684 40.7915 178.1080 29 E 3.7158 7.7088 117.4837 57.9153 26.4235 174.7256 30 L 4.5833 7.1279 123.1014 53.3724 44.9788 175.0634 31 D 4.7859 8.1010 121.2085 51.8691 42.0116 176.5300 32 E 4.0334 9.2198 123.4024 60.7167 29.3595 180.8962 33 G 4.0060 7.1515 103.8699 47.3170 0.0000 175.0525 34 T 4.4156 8.0822 112.1335 61.6878 69.7451 176.3506 35 A 3.6351 8.2549 123.3794 55.2968 18.4928 179.4959 36 L 4.2061 8.0932 117.0574 58.3115 41.4469 179.5774 37 S 4.1921 8.2027 114.4971 61.6523 62.3862 176.8427 38 R 3.9420 8.6047 121.6411 59.4557 30.0718 178.2071 39 L 4.2734 7.5433 115.0039 55.4508 41.6095 178.1435 40 G 3.9343 7.7704 107.9011 45.1597 0.0000 174.8505 41 L 4.3044 7.4382 119.2414 53.9626 41.3521 177.3573 42 K 4.0777 8.8510 128.3445 57.0162 31.3303 179.1801 43 R 4.2898 9.2336 112.2429 56.0019 30.9306 177.7763 44 Y 4.3082 9.6875 119.6564 60.8773 37.3188 178.4982 45 C 3.7015 7.6741 114.6166 61.5852 29.6507 175.3489 46 C 4.2437 8.0653 118.4072 61.9633 28.0622 175.8313 47 R 3.8948 7.9815 119.3863 59.5121 29.7475 178.7065 48 R 3.9231 8.7021 116.0263 59.9221 29.1718 178.0493 49 M 3.7288 7.7179 118.1170 58.5964 31.9860 178.3708 50 I 3.5880 7.3768 117.9719 64.3681 37.6139 177.4349 51 L 3.9860 7.3608 119.6510 58.4870 41.8043 178.4298 52 T 4.2967 7.4841 112.9792 63.8465 69.7222 174.9106 53 H 3.8301 7.1799 118.7998 56.6350 30.1258 174.5205 54 V 4.0493 7.9380 125.4608 60.9087 31.8699 175.7896 55 D 4.6150 7.9175 131.4823 53.5353 39.4657 176.7156 56 L 3.8734 7.9828 123.6613 58.3208 42.7147 180.3993 57 I 4.2089 8.2849 117.7769 64.6261 38.2600 176.5493 58 E 4.0223 8.1004 118.5021 59.5806 29.1145 179.2631 59 K 3.8198 7.9884 118.8582 59.7389 32.2338 179.2470 60 F 4.8264 7.8545 116.7287 60.8381 39.1804 177.2341 61 L 4.2700 8.3713 117.5495 57.4218 41.9728 178.7086 62 R 4.3130 7.8385 118.8406 57.7459 29.4360 175.2486 63 Y 4.5440 7.7064 112.9860 56.6208 43.5845 177.7317 64 N 4.1838 8.2316 127.5326 53.9594 42.6039 173.0571 65 P 4.4564 0.0000 0.0000 62.9767 31.4955 176.7137 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 M 8.30 4.49 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 2 I 8.17 2.67 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.17 0.82 0.00 0.00 3 V 8.55 2.94 1.91 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 0.69 0.00 0.00 0.29 0.00 0.00 4 P 0.00 4.26 0.00 1.83 1.93 0.00 3.33 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 5 V 8.23 3.82 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 0.80 0.00 0.00 0.92 0.00 0.00 6 R 8.47 3.86 0.00 2.01 2.01 0.00 3.32 0.00 0.00 3.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 7 C 8.27 4.21 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.95 4.40 0.00 2.97 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 9 S 8.27 4.27 0.00 3.81 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 10 C 8.05 4.45 0.00 3.03 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 11 G 8.42 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 0.00 0.00 0.00 12 K 8.01 3.94 0.00 1.76 1.72 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.41 7.81 13 V 7.74 3.49 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 0.73 0.00 0.00 0.94 0.00 0.00 14 V 8.10 4.40 2.03 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 0.68 0.00 0.00 0.94 0.00 0.00 15 G 8.14 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 16 D 8.27 4.48 0.00 2.96 2.97 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 17 K 9.38 3.97 0.00 1.94 2.02 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.58 7.81 18 W 8.80 4.80 0.00 3.28 3.02 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 19 E 8.45 3.67 0.00 2.08 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 2.46 2.59 0.00 20 S 8.20 4.08 0.00 4.05 3.96 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 21 Y 7.74 4.02 0.00 2.92 3.18 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 22 L 7.67 3.59 0.00 1.26 1.35 -0.11 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.81 4.34 0.00 2.96 2.76 0.00 0.00 6.89 6.47 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 24 L 7.84 4.17 0.00 1.53 1.61 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.07 4.44 0.00 1.47 1.40 0.31 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.24 3.90 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 27 E 7.49 4.01 0.00 1.98 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 2.33 2.29 0.00 28 D 8.16 4.34 0.00 2.62 2.63 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 29 E 7.71 3.72 0.00 1.95 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 30 L 7.13 4.58 0.00 1.82 1.68 0.89 1.14 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 31 D 8.10 4.79 0.00 2.89 2.75 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 32 E 9.22 4.03 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 33 G 7.15 4.01 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 0.00 34 T 8.08 4.42 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 1.22 0.00 0.00 35 A 8.25 3.64 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.21 0.00 1.81 1.77 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.20 4.19 0.00 3.98 3.96 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 38 R 8.60 3.94 0.00 1.81 2.31 0.00 3.26 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 39 L 7.54 4.27 0.00 1.84 1.76 1.17 1.12 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 40 G 7.77 3.93 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 0.00 0.00 0.00 41 L 7.44 4.30 0.00 1.67 1.67 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.85 4.08 0.00 1.74 1.57 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.46 7.81 43 R 9.23 4.29 0.00 2.08 2.13 0.00 3.24 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 44 Y 9.69 4.31 0.00 3.24 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 45 C 7.67 3.70 0.00 3.02 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 46 C 8.07 4.24 0.00 3.00 2.97 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 47 R 7.98 3.89 0.00 2.08 2.03 0.00 3.24 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 48 R 8.70 3.92 0.00 2.05 2.32 0.00 2.72 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 49 M 7.72 3.73 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 50 I 7.38 3.59 1.62 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 1.43 0.83 0.24 0.00 0.00 51 L 7.36 3.99 0.00 1.66 1.84 1.00 1.03 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 52 T 7.48 4.30 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 1.22 0.00 0.00 53 H 7.18 3.83 0.00 3.02 3.03 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.94 4.05 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 0.83 0.00 0.00 1.01 0.00 0.00 55 D 7.92 4.62 0.00 2.65 2.69 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 56 L 7.98 3.87 0.00 1.86 1.26 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.28 4.21 2.05 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 1.77 1.69 1.06 0.00 0.00 58 E 8.10 4.02 0.00 2.09 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 2.63 2.62 0.00 59 K 7.99 3.82 0.00 1.55 1.78 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 60 F 7.85 4.83 0.00 3.35 3.07 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 0.00 0.00 0.00 0.00 61 L 8.37 4.27 0.00 1.85 1.82 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.84 4.31 0.00 1.80 1.87 0.00 3.15 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 63 Y 7.71 4.54 0.00 3.22 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 64 N 8.23 4.18 0.00 2.73 2.41 0.00 0.00 6.96 7.69 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 65 P 0.00 4.46 0.00 2.23 2.04 0.00 3.90 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 2.00 1.97 0.00