NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6955 8.2833 119.2015 53.1920 39.3535 174.7959 7 I 3.5115 8.2733 128.2053 63.8421 37.1665 176.1998 8 Q 3.9295 8.8403 121.3325 59.1396 29.3330 177.2518 9 D 4.3006 8.0204 119.2876 57.4397 40.6116 179.1509 10 K 3.9587 7.9269 118.0758 59.1875 32.6226 179.0662 11 A 3.6341 7.2724 122.1335 54.6147 18.8103 179.5038 12 L 3.6809 7.8972 117.7777 57.4912 41.4473 179.3352 13 E 4.0446 8.0474 119.5890 58.8076 29.6049 178.0981 14 N 4.1077 7.4536 116.5960 56.7667 39.1248 176.7814 15 F 4.3755 7.2540 118.8834 60.4020 38.4857 177.4791 16 K 4.3492 8.2719 119.9351 59.1190 31.8241 178.6636 17 A 4.0904 8.4440 119.7218 54.7204 18.3837 178.3651 18 N 4.6767 7.9470 111.7176 52.2997 38.9492 175.1697 19 Q 3.5952 7.7348 116.9626 56.8733 26.8487 173.9115 20 T 3.9673 7.6285 113.6014 64.3004 69.8000 173.8576 21 E 4.4022 8.7751 125.1444 55.7485 29.4768 176.0417 22 V 4.2846 8.1629 117.9031 59.9810 34.5293 175.0996 23 T 4.7367 9.0453 120.5133 61.9492 70.7095 173.6751 24 V 4.2591 9.0174 127.6250 61.0890 33.9016 174.1100 25 F 5.1157 8.5716 126.7620 55.9505 41.2571 175.8465 26 F 4.9126 9.6419 123.1652 56.3418 40.4748 176.9642 27 L 4.2175 8.8299 120.0994 57.0092 41.4635 178.0136 28 N 4.7864 8.4694 115.1262 52.3739 37.5262 174.9912 29 G 4.2532 8.2694 109.1809 45.8124 0.0000 174.5691 30 F 4.6278 8.5441 121.7443 58.5312 40.4774 174.2499 31 Q 4.8563 7.2882 120.6244 54.5413 31.6414 173.8750 32 M 4.6174 8.7599 119.6728 53.6503 36.2808 173.5799 33 K 4.8960 8.2289 124.7378 54.4566 35.4928 175.1602 34 G 3.9788 8.1061 112.6010 46.3841 0.0000 171.6888 35 V 4.7548 7.9267 119.5928 60.8290 33.7084 175.5245 36 I 4.3898 8.2270 127.3597 60.9139 37.0145 176.3789 37 E 4.0963 8.9237 127.9067 59.1666 30.0213 176.9229 38 E 4.9118 7.7602 116.4760 55.8784 34.6182 173.3235 39 Y 5.1354 7.9844 117.2177 57.2868 40.6133 173.2856 40 D 4.1595 8.5237 120.4833 52.9810 41.4526 175.9435 41 K 4.0699 8.6493 117.1395 58.3207 32.8656 177.4635 42 Y 5.0053 10.2249 115.0364 58.0883 41.4899 175.5259 43 V 5.0601 8.1046 110.5707 59.7100 36.9905 174.5387 44 V 4.8817 8.6642 120.2008 61.9145 35.3177 173.2271 45 S 5.0835 9.1771 123.4468 56.8978 64.2488 172.2403 46 L 5.0322 9.0744 129.8930 53.1868 44.5683 174.5995 47 N 4.8915 8.9545 126.4929 53.3399 40.2331 174.0594 48 S 4.4949 8.9300 120.9423 57.8483 65.4644 174.0281 49 Q 3.4726 9.3999 128.1423 57.2544 25.6591 174.5225 50 G 4.3692 8.5703 111.4554 45.7692 0.0000 175.0967 51 K 4.1508 7.5336 118.2746 56.2024 33.6122 174.9741 52 Q 4.7302 8.2619 121.6894 54.9937 30.8596 174.2378 53 H 4.8754 8.7679 122.8885 53.9616 31.8073 172.6863 54 L 4.7475 8.6858 126.6832 54.1293 42.6283 175.4121 55 I 4.6318 8.7360 128.4728 59.6290 39.9520 175.0504 56 Y 4.6638 8.5775 124.5242 57.2474 38.7710 176.7207 57 K 3.9996 9.1131 125.0510 59.7795 32.3580 178.8542 58 H 4.2093 8.3379 112.4967 57.5887 28.5918 175.5151 59 A 4.6619 8.2233 122.4212 52.0719 19.5489 176.2408 60 I 4.5416 7.6178 117.4074 59.4201 39.2163 175.4447 61 S 4.6691 8.6466 117.4455 59.7136 65.2755 174.3177 62 T 4.7341 7.4389 114.1614 62.2075 73.0133 172.4470 63 Y 5.4112 8.4150 120.7273 56.8718 41.3826 174.8290 64 T 4.6449 8.3776 111.6529 61.1428 72.7628 172.1429 65 V 4.6366 8.1273 121.2596 60.4362 34.5297 174.9019 66 E 4.1158 8.7916 125.5507 56.6925 29.4367 176.5332 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 6 N 8.28 4.70 0.00 2.81 2.78 0.00 0.00 7.09 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.27 3.51 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.23 0.88 0.00 0.00 8 Q 8.84 3.93 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 9 D 8.02 4.30 0.00 2.80 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 10 K 7.93 3.96 0.00 1.89 2.10 0.00 1.23 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.32 7.81 11 A 7.27 3.63 1.13 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 0.00 0.00 0.00 12 L 7.90 3.68 0.00 1.12 0.32 0.38 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.05 4.04 0.00 2.27 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 2.33 2.37 0.00 14 N 7.45 4.11 0.00 2.75 2.30 0.00 0.00 7.19 7.59 0.00 0.00 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 F 7.25 4.38 0.00 3.06 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 16 K 8.27 4.35 0.00 2.11 2.07 0.00 1.92 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.51 1.59 7.81 17 A 8.44 4.09 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 18 N 7.95 4.68 0.00 2.78 2.88 0.00 0.00 7.09 7.68 0.00 0.00 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 Q 7.73 3.60 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 20 T 7.63 3.97 4.43 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 0.00 0.00 0.00 1.27 0.00 0.00 21 E 8.78 4.40 0.00 1.83 1.89 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 2.27 2.26 0.00 22 V 8.16 4.28 1.70 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 -0.28 0.00 0.00 0.81 0.00 0.00 23 T 9.05 4.74 4.18 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 0.50 0.00 0.00 24 V 9.02 4.26 1.86 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 0.45 0.00 0.00 0.87 0.00 0.00 25 F 8.57 5.12 0.00 2.89 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 26 F 9.64 4.91 0.00 3.29 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 27 L 8.83 4.22 0.00 1.76 1.79 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.47 4.79 0.00 2.85 2.96 0.00 0.00 6.23 7.00 0.00 0.00 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 G 8.27 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 0.00 0.00 0.00 0.00 30 F 8.54 4.63 0.00 3.06 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 31 Q 7.29 4.86 0.00 1.22 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.53 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 32 M 8.76 4.62 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 33 K 8.23 4.90 0.00 1.63 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.67 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.45 7.81 34 G 8.11 3.98 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 0.00 0.00 0.00 35 V 7.93 4.75 2.20 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 1.17 0.00 0.00 0.99 0.00 0.00 36 I 8.23 4.39 1.97 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 1.35 1.28 1.01 0.00 0.00 37 E 8.92 4.10 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 2.36 2.35 0.00 38 E 7.76 4.91 0.00 1.89 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 2.29 2.32 0.00 39 Y 7.98 5.14 0.00 3.03 2.91 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 0.00 0.00 0.00 0.00 40 D 8.52 4.16 0.00 2.72 2.48 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 41 K 8.65 4.07 0.00 1.55 1.45 0.00 1.53 0.00 0.00 1.31 0.00 0.00 2.58 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.51 1.17 7.81 42 Y 10.22 5.01 0.00 3.05 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 43 V 8.10 5.06 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 0.64 0.00 0.00 0.97 0.00 0.00 44 V 8.66 4.88 2.18 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 1.08 0.00 0.00 1.09 0.00 0.00 45 S 9.18 5.08 0.00 3.95 3.84 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 0.00 0.00 0.00 0.00 46 L 9.07 5.03 0.00 1.79 1.58 0.99 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.95 4.89 0.00 2.95 2.75 0.00 0.00 6.19 6.97 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 48 S 8.93 4.49 0.00 4.01 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 49 Q 9.40 3.47 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 50 G 8.57 4.37 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 0.00 51 K 7.53 4.15 0.00 1.85 1.92 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.48 7.81 52 Q 8.26 4.73 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 53 H 8.77 4.88 0.00 3.19 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.69 4.75 0.00 1.61 1.55 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.74 4.63 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 1.08 0.00 0.00 56 Y 8.58 4.66 0.00 2.99 2.47 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 0.00 0.00 0.00 0.00 57 K 9.11 4.00 0.00 1.97 1.97 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.59 1.61 7.81 58 H 8.34 4.21 0.00 3.26 3.52 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.22 4.66 1.65 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 0.00 0.00 60 I 7.62 4.54 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.54 0.27 0.00 0.00 61 S 8.65 4.67 0.00 3.77 3.92 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 0.00 0.00 0.00 62 T 7.44 4.73 4.15 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 1.19 0.00 0.00 63 Y 8.41 5.41 0.00 2.83 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 64 T 8.38 4.64 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 1.31 0.00 0.00 65 V 8.13 4.64 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 0.81 0.00 0.00 0.95 0.00 0.00 66 E 8.79 4.12 0.00 1.95 1.82 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 2.30 2.25 0.00