NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4173 8.2893 120.3215 54.7028 33.8681 175.8250 2 P 4.4243 0.0000 0.0000 61.5557 30.0169 172.3584 3 Q 4.3899 7.3531 116.5191 54.6534 34.3064 175.6248 4 K 3.6704 8.5941 119.7656 57.3522 32.0584 175.8793 5 D 4.5491 8.4410 127.1346 52.0332 40.8969 174.7200 6 P 4.1831 0.0000 0.0000 65.3739 31.5285 178.4279 7 C 4.4910 7.9127 113.5929 57.6799 39.9598 175.4888 8 Q 3.6676 7.8844 120.7075 58.5018 28.2315 178.0199 9 K 3.8717 7.9283 120.5418 59.6251 32.3591 178.5893 10 Q 3.9416 7.9721 117.4927 58.8787 28.7032 178.1345 11 A 4.0106 8.1277 122.0228 55.5947 18.2173 179.3455 12 C 4.0395 8.0928 114.8518 63.2188 28.2751 176.2641 13 E 3.9742 7.8383 119.9111 59.3550 28.9452 179.4713 14 I 3.7270 7.8954 119.7667 64.5129 37.2373 178.4220 15 Q 4.0140 8.1906 118.6272 59.1519 28.5399 179.2347 16 K 4.0739 8.3914 119.7320 59.3410 31.9370 178.4212 17 C 4.1646 8.7563 119.2964 59.8611 38.6411 175.6787 18 L 4.0647 8.0906 120.3073 58.1072 41.2860 179.6261 19 Q 4.0016 8.1920 117.1561 58.9572 28.5439 178.6059 20 A 4.2130 8.2478 120.1928 53.9483 18.6330 177.6323 21 N 4.8192 7.5438 113.2365 51.9780 39.8829 174.7043 22 S 3.2661 8.4198 112.8924 59.8055 60.8823 172.7355 23 Y 4.0075 8.3511 113.2656 59.0310 36.0069 171.5681 24 M 4.9036 7.5619 121.0318 54.3034 29.5976 176.4593 25 E 4.0763 8.4791 123.3401 58.5995 30.2797 177.9365 26 S 4.3617 7.9493 114.9062 61.8872 62.9426 176.4967 27 K 4.0498 7.9439 120.4753 59.6084 32.0075 179.4536 28 C 4.7389 8.1791 114.1311 57.8718 38.3087 175.3745 29 Q 4.0344 7.9958 121.5036 58.9816 28.0924 178.7058 30 A 4.0108 7.6960 120.5046 55.3840 18.5400 180.1642 31 V 3.6663 7.7495 116.9052 64.7356 31.7028 178.3336 32 I 3.9920 8.4105 120.9806 64.4834 36.9646 177.9069 33 Q 4.1643 8.5958 120.7341 59.3563 28.7354 178.3275 34 E 3.9330 7.9772 120.2767 59.1824 29.7161 178.7763 35 L 3.8187 7.9272 118.9844 57.3318 41.3085 179.5589 36 R 4.0958 8.4145 118.6592 59.4844 29.9012 179.1732 37 K 3.9828 8.0496 117.1063 59.4501 32.4272 178.4187 38 C 4.4596 8.6013 119.2261 59.8053 37.7725 174.8671 39 C 4.1991 8.3681 120.5772 59.7213 43.2904 175.0002 40 A 4.1196 8.2074 119.6619 53.6317 17.8207 177.6147 41 Q 4.0939 7.7874 115.8654 56.8467 29.4003 174.7491 42 Y 4.7407 7.6166 113.1305 55.7696 42.2607 173.1303 43 P 4.3872 0.0000 0.0000 62.9716 31.4053 177.1485 44 K 3.9714 9.0403 124.5249 59.6007 32.1002 179.2604 45 G 3.7991 8.1201 105.5023 47.5762 0.0000 173.9878 46 R 3.9684 8.3738 120.3896 59.0997 30.3252 177.0469 47 S 4.5810 8.0163 110.3576 55.3011 66.7108 174.6215 48 V 3.5458 8.5959 128.3815 66.3964 31.2661 179.0210 49 V 3.6910 7.8562 110.2420 64.5843 31.6639 178.6511 50 C 4.5180 8.2709 118.2916 59.7893 43.2843 175.7817 51 S 4.0544 8.1746 115.8480 61.0293 62.5925 176.3799 52 G 3.7767 8.1490 108.6948 46.9642 0.0000 175.7892 53 F 3.3903 8.3650 123.1865 61.0564 39.5911 177.4251 54 E 4.3303 8.1863 118.7710 58.4639 29.2068 179.4253 55 K 3.9448 7.9408 118.6142 59.2641 32.2692 178.6378 56 E 3.7902 8.0302 119.6670 59.1416 29.1816 178.6874 57 E 3.8242 8.5444 118.8667 59.3437 29.5916 178.7937 58 E 3.9529 7.9934 119.1907 59.2974 29.6001 178.2799 59 E 3.8577 8.4561 119.5446 59.6876 29.4602 178.7362 60 N 4.3593 8.3109 115.1525 56.0088 38.9198 177.2018 61 L 4.1660 7.8947 120.6266 57.8845 41.6133 179.2866 62 T 3.8636 8.1940 114.9770 66.7761 68.3520 176.3358 63 R 3.9807 8.5197 120.1576 56.7656 29.7731 176.8081 64 K 4.3957 7.4840 117.4941 56.7051 31.5366 174.1725 65 S 4.5312 7.1691 107.8515 57.2232 65.6024 175.1197 66 A 4.5456 8.5035 122.4053 52.6984 17.9287 178.0796 67 S 4.2513 7.5990 116.0881 59.8229 63.9836 174.8025 68 K 4.1478 8.6101 120.7703 57.2610 32.9925 173.9496 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 8.29 4.42 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 2 P 0.00 4.42 0.00 2.25 2.09 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 3 Q 7.35 4.39 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 4 K 8.59 3.67 0.00 1.67 1.73 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 5 D 8.44 4.55 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 1.51 2.00 0.00 3.31 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.87 0.00 7 C 7.91 4.49 0.00 2.97 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 8 Q 7.88 3.67 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 9 K 7.93 3.87 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 10 Q 7.97 3.94 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 11 A 8.13 4.01 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 12 C 8.09 4.04 0.00 3.20 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 13 E 7.84 3.97 0.00 2.11 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 2.51 2.50 0.00 14 I 7.90 3.73 2.11 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 1.73 0.56 1.03 0.00 0.00 15 Q 8.19 4.01 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 16 K 8.39 4.07 0.00 1.81 1.88 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.52 7.81 17 C 8.76 4.16 0.00 3.03 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.06 0.00 2.15 1.99 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.19 4.00 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.69 0.00 0.00 0.00 0.00 0.00 2.80 2.64 0.00 20 A 8.25 4.21 1.35 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 0.00 0.00 21 N 7.54 4.82 0.00 2.80 2.77 0.00 0.00 7.29 8.39 0.00 0.00 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 S 8.42 3.27 0.00 3.85 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 23 Y 8.35 4.01 0.00 3.10 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 24 M 7.56 4.90 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.44 0.00 25 E 8.48 4.08 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 26 S 7.95 4.36 0.00 3.92 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 27 K 7.94 4.05 0.00 1.93 1.91 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 28 C 8.18 4.74 0.00 3.04 3.17 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 29 Q 8.00 4.03 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.10 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 30 A 7.70 4.01 1.35 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 0.00 0.00 31 V 7.75 3.67 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 0.89 0.00 0.00 0.95 0.00 0.00 32 I 8.41 3.99 2.21 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 1.74 0.71 1.10 0.00 0.00 33 Q 8.60 4.16 0.00 2.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 34 E 7.98 3.93 0.00 2.03 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 0.00 2.27 2.33 0.00 35 L 7.93 3.82 0.00 1.19 0.13 0.67 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.41 4.10 0.00 2.14 2.08 0.00 3.54 0.00 0.00 3.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.20 0.00 37 K 8.05 3.98 0.00 1.83 1.88 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 38 C 8.60 4.46 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.37 4.20 0.00 2.99 3.33 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 40 A 8.21 4.12 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.79 4.09 0.00 2.32 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 42 Y 7.62 4.74 0.00 2.93 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 43 P 0.00 4.39 0.00 2.26 2.26 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 44 K 9.04 3.97 0.00 1.84 1.99 0.00 1.77 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.59 1.48 7.81 45 G 8.12 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.97 0.00 1.85 2.04 0.00 3.26 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.00 47 S 8.02 4.58 0.00 3.69 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 3.55 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 1.06 0.00 0.00 0.94 0.00 0.00 49 V 7.86 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 0.93 0.00 0.00 0.95 0.00 0.00 50 C 8.27 4.52 0.00 2.95 3.19 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 51 S 8.17 4.05 0.00 4.06 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 52 G 8.15 3.78 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 0.00 0.00 0.00 53 F 8.37 3.39 0.00 3.52 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 54 E 8.19 4.33 0.00 2.07 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 2.60 2.28 0.00 55 K 7.94 3.94 0.00 1.88 1.81 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.42 7.81 56 E 8.03 3.79 0.00 1.78 1.34 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 0.00 2.08 2.10 0.00 57 E 8.54 3.82 0.00 2.14 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 2.34 2.34 0.00 58 E 7.99 3.95 0.00 2.08 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 0.00 2.29 2.35 0.00 59 E 8.46 3.86 0.00 2.05 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 0.00 2.27 2.33 0.00 60 N 8.31 4.36 0.00 2.79 2.84 0.00 0.00 7.37 7.89 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 61 L 7.89 4.17 0.00 1.90 1.69 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.19 3.86 4.48 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 1.25 0.00 0.00 63 R 8.52 3.98 0.00 2.00 2.08 0.00 3.24 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 64 K 7.48 4.40 0.00 1.91 1.82 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.40 7.81 65 S 7.17 4.53 0.00 3.96 3.88 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 66 A 8.50 4.55 1.29 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 0.00 0.00 0.00 67 S 7.60 4.25 0.00 3.87 3.85 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 68 K 8.61 4.15 0.00 1.86 1.65 0.00 1.75 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81