NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5299 8.2893 120.3484 55.8356 34.6105 174.3425 1 R 4.1775 9.0416 123.9639 53.8586 36.0949 174.4928 2 K 3.7406 10.0119 113.6174 56.8934 31.6232 174.7065 3 R 4.0247 8.0916 119.6038 58.5847 30.8148 176.6459 4 G 4.2632 7.1487 102.6351 46.5255 0.0000 172.8245 5 R 4.6389 8.5474 116.7198 56.1977 30.8884 176.2312 6 Q 4.5404 7.8407 115.8202 54.5883 31.3528 176.6795 7 T 4.1218 7.5534 117.0858 63.9611 69.0150 174.1566 8 Y 5.1905 6.7789 118.4262 56.2585 40.3107 174.7728 9 T 4.8117 7.9220 116.0113 61.3200 73.6602 174.2203 10 R 3.8429 8.6962 120.6055 60.2922 29.7514 177.5098 11 Y 4.1585 8.0862 117.9431 61.1063 38.7922 177.9748 12 Q 3.6683 8.2574 119.4294 59.9563 29.0415 179.1485 13 T 3.3045 8.2830 116.5063 66.3324 68.4316 176.3257 14 L 3.8691 8.2292 121.1726 58.1911 41.7030 179.4225 15 E 3.8064 8.0358 118.1917 59.5191 29.3664 179.6629 16 L 3.7836 7.4648 118.9234 57.2855 41.3723 179.2285 17 E 4.1374 8.3455 119.7018 59.2010 29.6990 178.3678 18 K 3.8254 8.2707 120.1832 59.8337 32.0819 178.1017 19 E 4.1802 8.6813 119.5940 59.3896 29.4019 178.4559 20 F 4.6320 8.5301 121.3591 61.2518 39.5060 176.5947 21 H 3.9939 8.7218 115.1374 58.4144 28.4615 177.1239 22 F 4.4214 8.1197 122.0102 59.8830 39.8186 175.5086 23 N 4.3324 7.8821 113.7844 52.3993 42.7487 175.0545 24 R 4.3438 8.3162 120.5158 56.7996 30.4855 175.7708 25 Y 5.0166 7.4110 114.3359 56.8473 41.9811 174.1458 26 L 4.6488 8.1688 121.2415 52.5731 45.8752 176.8855 27 T 4.3521 8.1716 113.1578 60.3721 71.7376 175.5515 28 R 3.8081 8.4505 120.1613 59.9458 29.7588 177.7760 29 R 3.8621 8.0070 117.3419 59.6788 29.9545 178.5048 30 R 3.8687 7.4060 117.6680 59.2634 30.1186 178.9048 31 R 3.8043 8.1966 118.7587 59.4860 30.0494 178.3044 32 I 3.6115 8.1222 119.8614 64.4331 37.0663 177.6686 33 E 3.9065 8.1851 119.9112 59.5476 29.4424 178.7194 34 I 3.6432 8.0697 119.7133 64.6729 37.2499 178.3307 35 A 4.0557 8.4074 121.5330 55.3853 17.8917 179.4185 36 H 4.4232 8.5181 114.4934 58.7517 28.9055 177.3356 37 A 4.2643 8.3314 121.6745 53.4740 18.5480 177.7011 38 L 4.4789 7.6236 116.8362 53.8086 44.5187 174.8495 39 S 3.8033 8.8392 113.2361 58.1403 60.0723 168.5197 40 L 4.6358 7.3846 120.3738 52.7091 45.8753 175.4510 41 T 4.6715 8.2198 108.6558 60.2562 72.1880 174.3953 42 E 3.9293 8.9302 123.2226 60.0279 29.4036 179.5964 43 R 3.9306 7.9765 118.1497 59.3615 30.2447 178.1324 44 Q 4.1406 7.8281 117.2296 59.2131 28.8729 179.2743 45 I 3.8077 8.0073 120.5920 64.3418 37.2181 178.2529 46 K 4.0273 8.1923 120.2862 59.6748 31.9754 178.6281 47 I 3.7116 8.2798 120.3130 64.1970 37.0321 177.9793 48 W 3.8602 8.5287 129.2678 60.5510 30.4752 177.6191 49 F 3.6802 8.9768 117.9775 60.7500 38.3576 177.5705 50 Q 3.9405 8.6914 117.5424 59.3152 28.5822 178.9894 51 N 4.0966 8.2777 117.5769 56.0171 38.4740 177.2819 52 R 2.8967 7.1698 120.3129 59.3429 29.9406 178.9211 53 R 4.1194 7.3620 117.1200 58.6518 29.7745 178.6831 54 M 3.9248 7.6273 118.0724 58.5017 32.5354 177.8211 55 K 3.9945 7.9802 119.5630 59.4246 32.4021 177.9063 56 W 4.1444 8.0357 128.1645 61.2558 30.3488 177.9311 57 K 4.4389 8.7368 119.5080 57.7974 31.6603 178.4710 58 K 4.4386 7.6289 117.2026 56.2340 32.4373 176.4671 59 E 4.5555 8.1134 116.8714 55.8142 31.8720 176.5534 60 N 4.1584 7.6141 118.8690 53.1678 37.1423 174.8190 61 K 3.6268 7.6178 120.4036 57.4035 31.3744 174.6199 62 T 4.4125 7.6484 110.1509 63.2940 71.1084 173.6478 63 K 3.9970 7.7792 118.3225 57.6123 33.0795 173.9494 64 G 3.5199 8.4565 111.3346 45.7554 0.0000 172.1792 65 E 4.3975 7.9601 124.9314 54.1021 28.7261 175.1458 66 P 4.2125 0.0000 0.0000 63.4958 32.1636 177.3456 67 G 3.7479 7.3548 113.9913 46.5772 0.0000 173.1864 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 0 M 8.29 4.53 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 1 R 9.04 4.18 0.00 1.98 1.68 0.00 3.23 0.00 0.00 3.18 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 2 K 10.01 3.74 0.00 1.84 1.81 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.37 7.81 3 R 8.09 4.02 0.00 1.82 1.98 0.00 3.35 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 4 G 7.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.55 4.64 0.00 1.76 1.91 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 6 Q 7.84 4.54 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 7 T 7.55 4.12 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 1.11 0.00 0.00 8 Y 6.78 5.19 0.00 3.03 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 9 T 7.92 4.81 4.31 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 1.31 0.00 0.00 10 R 8.70 3.84 0.00 1.92 1.95 0.00 3.24 0.00 0.00 3.30 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 11 Y 8.09 4.16 0.00 3.01 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 12 Q 8.26 3.67 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 13 T 8.28 3.30 4.32 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 0.00 0.00 0.00 1.35 0.00 0.00 14 L 8.23 3.87 0.00 1.88 1.64 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.04 3.81 0.00 1.63 1.78 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 1.95 2.15 0.00 16 L 7.46 3.78 0.00 0.62 0.13 -0.31 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.35 4.14 0.00 2.21 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 2.48 2.54 0.00 18 K 8.27 3.83 0.00 1.82 1.94 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 E 8.68 4.18 0.00 2.32 2.40 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 2.58 2.85 0.00 20 F 8.53 4.63 0.00 2.79 3.27 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 0.00 21 H 8.72 3.99 0.00 3.41 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.12 4.42 0.00 3.04 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 23 N 7.88 4.33 0.00 2.21 2.72 0.00 0.00 5.19 7.16 0.00 0.00 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 R 8.32 4.34 0.00 1.63 1.77 0.00 2.43 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.12 0.00 25 Y 7.41 5.02 0.00 2.92 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.65 0.00 1.18 1.32 0.36 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.17 4.35 4.22 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 1.17 0.00 0.00 28 R 8.45 3.81 0.00 1.88 1.98 0.00 3.19 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 29 R 8.01 3.86 0.00 1.87 1.92 0.00 3.40 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 30 R 7.41 3.87 0.00 2.09 1.93 0.00 3.35 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 31 R 8.20 3.80 0.00 1.97 1.95 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 32 I 8.12 3.61 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.49 0.82 0.00 0.00 33 E 8.19 3.91 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 34 I 8.07 3.64 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 1.49 0.58 0.96 0.00 0.00 35 A 8.41 4.06 1.40 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 0.00 0.00 36 H 8.52 4.42 0.00 3.34 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.33 4.26 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 38 L 7.62 4.48 0.00 1.65 1.63 0.65 0.62 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 39 S 8.84 3.80 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.64 0.00 1.63 1.57 0.96 0.97 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 41 T 8.22 4.67 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 1.23 0.00 0.00 42 E 8.93 3.93 0.00 2.09 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 2.40 2.45 0.00 43 R 7.98 3.93 0.00 1.91 1.94 0.00 3.23 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 44 Q 7.83 4.14 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 45 I 8.01 3.81 1.94 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 1.42 0.81 1.04 0.00 0.00 46 K 8.19 4.03 0.00 2.06 2.06 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.62 7.81 47 I 8.28 3.71 2.13 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 1.70 0.81 1.00 0.00 0.00 48 W 8.53 3.86 0.00 2.98 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 49 F 8.98 3.68 0.00 3.59 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.69 3.94 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 51 N 8.28 4.10 0.00 2.70 2.41 0.00 0.00 6.64 7.23 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 52 R 7.17 2.90 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 7.36 4.12 0.00 1.96 2.09 0.00 3.19 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 54 M 7.63 3.92 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 55 K 7.98 3.99 0.00 1.73 1.67 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.39 7.81 56 W 8.04 4.14 0.00 3.68 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.44 0.00 1.86 1.89 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.53 7.81 58 K 7.63 4.44 0.00 1.88 1.80 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.60 7.81 59 E 8.11 4.56 0.00 1.82 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 2.16 2.29 0.00 60 N 7.61 4.16 0.00 2.51 2.42 0.00 0.00 5.78 5.12 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 61 K 7.62 3.63 0.00 1.71 1.69 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.29 7.81 62 T 7.65 4.41 4.31 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 1.19 0.00 0.00 63 K 7.78 4.00 0.00 1.84 1.84 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.53 7.81 64 G 8.46 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 4.40 0.00 2.06 1.90 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 2.31 2.32 0.00 66 P 0.00 4.21 0.00 2.16 2.15 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 67 G 7.35 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