NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4469 8.2649 123.5829 51.4290 21.0408 176.6406 3 K 4.3480 7.5377 118.7051 55.5984 35.1035 173.2915 4 H 3.8591 10.4647 118.5047 60.0800 28.6998 174.7842 5 P 4.3736 0.0000 0.0000 63.4277 32.5688 175.9960 6 V 4.4852 7.9318 120.6708 60.2753 34.6603 172.7913 7 P 4.3086 0.0000 0.0000 62.8932 31.5915 176.6329 8 K 4.1885 8.6179 123.6328 58.4451 32.6684 176.7494 9 K 4.5966 7.4924 115.5572 54.4279 35.9700 175.3669 10 K 4.0007 8.5415 123.7484 56.7175 32.6857 176.5247 11 T 4.1889 8.2905 116.3351 60.8001 69.8608 174.7195 12 S 4.3450 8.4443 119.0200 58.0137 63.6516 175.2928 13 K 3.9591 8.6260 120.1539 59.6654 31.5454 178.9794 14 A 4.1325 7.9388 121.1777 54.6773 18.6412 179.2444 15 R 3.8126 8.3431 115.4845 59.3717 30.0667 179.1402 16 R 3.8613 8.0877 117.6859 59.8071 30.4131 178.0762 17 D 4.4361 7.8817 118.0918 57.1121 40.8276 178.2593 18 A 3.9589 8.6044 121.8105 55.4627 17.7747 179.6179 19 R 3.8599 7.8809 116.5803 59.6467 30.0956 178.3654 20 R 3.9289 7.7719 115.1244 56.4847 29.5886 178.5436 21 S 4.0528 7.7489 115.4642 60.7801 63.0107 174.7133 22 H 4.7821 7.3225 116.2146 55.9908 28.7897 175.0098 23 H 4.5759 8.1385 116.5181 56.4416 28.9958 175.7665 24 A 4.0590 7.8044 123.0353 52.1022 18.6382 177.4227 25 L 4.3671 8.2834 122.0825 54.6480 42.7220 176.3452 26 T 4.6056 7.9786 115.8193 60.9550 70.9359 172.9448 27 P 4.4124 0.0000 0.0000 61.9847 32.0317 174.4921 28 P 4.3712 0.0000 0.0000 62.8097 31.6408 176.8252 29 T 4.3549 8.3041 117.6681 63.0671 68.9987 173.6412 30 L 5.0564 8.4323 125.9784 52.9467 44.9951 176.3107 31 V 4.5984 9.1721 115.1789 59.2398 36.6025 172.3717 32 P 5.2181 0.0000 0.0000 61.0872 32.8162 175.4283 33 C 4.0380 9.1148 125.6030 59.2736 31.3401 171.2539 34 P 4.3155 0.0000 0.0000 65.8192 30.4122 177.1311 35 E 3.9173 7.5621 117.4500 58.2360 30.2011 175.5348 36 C 4.4716 7.8793 111.0679 57.0133 31.2154 174.9883 37 K 3.8781 9.0242 123.9306 59.4702 32.5046 175.9623 38 A 3.9925 7.2483 120.9908 49.0680 20.6701 176.2781 39 M 5.0961 8.2410 118.9944 53.9284 34.2792 175.4944 40 K 4.5331 9.1901 121.5074 55.3807 37.0878 172.3160 41 P 5.1000 0.0000 0.0000 60.8358 32.4601 174.3034 42 P 4.2243 0.0000 0.0000 64.7094 31.4705 175.4662 43 H 4.2941 8.8849 116.2190 56.8787 25.7560 174.6543 44 T 4.7531 7.4278 106.3335 59.3415 71.5953 173.7698 45 V 3.9799 8.4342 123.4482 62.8903 31.9720 174.9388 46 C 4.0396 9.0395 127.6820 59.1539 31.3288 172.3023 47 P 4.3476 0.0000 0.0000 64.8391 30.4806 176.6418 48 E 4.1706 7.3558 119.4232 58.4997 29.8933 177.6709 49 C 4.1968 7.6047 114.0074 60.9105 30.8380 175.2555 50 G 4.0766 9.1889 110.0010 44.6896 0.0000 174.9449 51 Y 3.3854 8.1670 117.3966 57.3741 35.2777 167.2003 52 Y 4.5843 7.6904 115.1852 59.4186 39.7132 176.9922 53 A 4.8220 7.9634 121.1124 50.8479 19.5710 175.9115 54 G 3.9167 7.4524 106.0292 44.4116 0.0000 172.7316 55 R 3.8090 8.0275 120.4115 56.1745 30.3770 174.5035 56 K 4.2191 7.6803 118.0829 55.7688 34.4391 177.6907 57 V 4.0900 7.7728 115.1769 61.2428 33.4161 179.5151 58 L 4.4947 8.6965 130.2232 54.6643 41.1849 175.4681 59 E 4.6878 8.5977 121.6907 54.1256 31.9365 176.8340 60 V 3.9790 8.2398 119.4950 61.8803 31.6512 175.4768 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 2 A 8.26 4.45 1.30 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 0.00 0.00 0.00 0.00 0.00 3 K 7.54 4.35 0.00 1.78 1.58 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.46 7.81 4 H 10.46 3.86 0.00 3.12 3.10 0.00 5.73 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.37 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 6 V 7.93 4.49 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 0.81 0.00 0.00 0.97 0.00 0.00 7 P 0.00 4.31 0.00 2.08 1.99 0.00 3.73 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 2.03 2.08 0.00 8 K 8.62 4.19 0.00 1.70 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.52 7.81 9 K 7.49 4.60 0.00 1.74 1.64 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.37 7.81 10 K 8.54 4.00 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 T 8.29 4.19 4.24 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 1.21 0.00 0.00 12 S 8.44 4.34 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 3.96 0.00 1.82 1.91 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.51 7.81 14 A 7.94 4.13 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 15 R 8.34 3.81 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 16 R 8.09 3.86 0.00 1.78 2.19 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 17 D 7.88 4.44 0.00 2.80 2.68 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 0.00 0.00 0.00 0.00 18 A 8.60 3.96 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 19 R 7.88 3.86 0.00 1.92 2.16 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 20 R 7.77 3.93 0.00 1.92 1.87 0.00 3.20 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 21 S 7.75 4.05 0.00 3.86 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 0.00 22 H 7.32 4.78 0.00 3.04 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.14 4.58 0.00 3.22 3.33 0.00 5.66 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 24 A 7.80 4.06 1.25 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 25 L 8.28 4.37 0.00 1.66 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.98 4.61 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 27 P 0.00 4.41 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 28 P 0.00 4.37 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 29 T 8.30 4.35 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 1.22 0.00 0.00 30 L 8.43 5.06 0.00 1.48 1.53 0.92 0.96 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 31 V 9.17 4.60 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 0.82 0.00 0.00 0.95 0.00 0.00 32 P 0.00 5.22 0.00 1.91 2.06 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 33 C 9.11 4.04 0.00 2.91 3.23 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 0.00 34 P 0.00 4.32 0.00 2.08 2.11 0.00 3.65 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 2.00 2.07 0.00 35 E 7.56 3.92 0.00 1.95 1.88 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 2.36 2.31 0.00 36 C 7.88 4.47 0.00 3.14 3.05 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 0.00 37 K 9.02 3.88 0.00 1.88 2.01 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.49 7.81 38 A 7.25 3.99 1.24 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 0.00 0.00 39 M 8.24 5.10 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 40 K 9.19 4.53 0.00 1.76 1.87 0.00 1.14 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.37 7.81 41 P 0.00 5.10 0.00 2.16 2.23 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.82 0.00 42 P 0.00 4.22 0.00 2.07 2.05 0.00 3.99 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 2.04 2.02 0.00 43 H 8.88 4.29 0.00 3.40 3.53 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.43 4.75 4.29 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 1.31 0.00 0.00 45 V 8.43 3.98 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 0.82 0.00 0.00 0.65 0.00 0.00 46 C 9.04 4.04 0.00 2.96 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 47 P 0.00 4.35 0.00 2.22 2.18 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 48 E 7.36 4.17 0.00 1.98 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 2.30 2.23 0.00 49 C 7.60 4.20 0.00 3.12 3.15 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 50 G 9.19 4.08 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 0.00 0.00 0.00 51 Y 8.17 3.39 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.69 4.58 0.00 3.09 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 53 A 7.96 4.82 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.45 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 0.00 0.00 0.00 55 R 8.03 3.81 0.00 1.69 1.81 0.00 3.31 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 56 K 7.68 4.22 0.00 1.85 1.82 0.00 1.64 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 1.56 7.81 57 V 7.77 4.09 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 0.74 0.00 0.00 1.04 0.00 0.00 58 L 8.70 4.49 0.00 1.51 1.65 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.60 4.69 0.00 2.06 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 2.18 2.26 0.00 60 V 8.24 3.98 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 0.74 0.00 0.00 0.93 0.00 0.00