NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3529 8.3049 118.1961 54.3027 32.4862 174.7179 2 K 3.6708 8.5003 119.0123 56.5196 31.7489 175.9940 3 R 4.3521 8.4372 123.7993 55.3797 32.1688 176.5616 4 T 3.9181 8.4332 112.9323 64.2744 67.4126 173.7140 5 W 4.7511 8.1181 131.0336 56.1815 29.7507 175.1166 6 Q 4.1522 7.6219 125.4049 52.7931 28.1989 173.7973 7 P 3.4040 0.0000 0.0000 62.0738 32.4014 176.2444 8 N 4.6554 7.9479 119.0172 51.6223 42.0091 175.2965 9 R 3.9525 8.7968 125.5056 59.4656 30.3093 178.5713 10 R 3.8313 8.0677 118.0154 59.2811 30.1109 177.9510 11 K 3.8613 7.9152 118.4978 59.7852 32.2183 177.8574 12 R 3.9949 8.0565 118.0783 59.7907 30.0693 178.3959 13 A 4.0667 8.0215 120.1505 55.0887 18.1839 179.5165 14 K 4.0184 8.6390 117.8237 58.9290 32.3033 178.2631 15 T 4.3303 7.9313 108.7625 62.6261 69.8803 175.0462 16 H 4.7897 8.2583 116.0930 55.0087 29.7239 175.1922 17 G 4.4573 7.7001 108.8222 44.7008 0.0000 174.5482 18 F 4.0988 8.9067 121.9254 61.1026 39.0925 177.8210 19 R 4.0932 8.1510 116.4637 59.2174 30.3123 178.3964 20 A 4.1349 7.8719 120.0889 55.1765 18.6315 179.6209 21 R 3.8260 8.3388 117.0404 59.7889 29.9097 179.1945 22 M 4.0107 7.4781 116.6128 57.7431 31.9489 178.4350 23 R 3.9523 7.5354 118.2992 57.9199 30.7984 176.3022 24 T 4.5640 7.1323 112.4275 59.4651 69.4064 173.3115 25 P 4.3268 0.0000 0.0000 65.9003 31.0592 179.1377 26 G 3.6702 8.1311 105.5825 47.5530 0.0000 176.0548 27 G 3.9416 7.7750 109.0608 47.0193 0.0000 175.9404 28 R 3.8678 8.2245 120.6334 58.8913 29.9815 179.0701 29 K 3.8834 7.8305 117.9048 59.5727 32.0595 179.2554 30 V 3.5604 7.3840 118.1436 65.9953 31.2778 177.9735 31 L 3.9146 7.6564 118.0397 57.7370 41.4952 179.1440 32 K 3.8656 8.0130 119.3772 59.8041 32.0431 178.6858 33 R 3.8753 8.2309 118.0820 59.3537 30.1550 178.8607 34 R 3.9279 8.5222 118.0011 59.7254 30.0217 179.3012 35 R 3.9579 8.7997 118.3449 59.3656 29.8856 178.9669 36 Q 3.9791 8.2793 118.5273 59.0909 29.1263 177.8829 37 K 4.1455 8.3742 120.3230 57.6261 32.2370 177.4051 38 G 4.1091 7.6874 106.6361 45.3759 0.0000 173.7386 39 R 4.0874 7.5390 117.7773 55.8821 30.5135 177.5915 40 W 4.5073 8.7319 120.9263 58.7236 29.6085 176.5920 41 R 4.5602 7.7901 116.3371 53.9196 30.8714 175.6783 42 L 4.2652 8.5871 122.6189 56.4242 41.9289 177.4179 43 T 4.3507 7.4779 110.1275 60.2953 70.6680 170.9624 44 P 4.2903 0.0000 0.0000 63.0012 31.9381 176.1249 45 A 4.4000 8.2790 123.6984 51.8036 19.6851 177.8555 46 V 4.2537 7.9623 119.5360 62.4090 33.3623 175.2595 47 R 4.3775 8.1430 129.2918 52.8046 28.6868 176.6370 48 K 3.9830 7.8058 121.7004 57.0796 32.3371 174.2182 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 4.35 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 8.50 3.67 0.00 1.85 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 R 8.44 4.35 0.00 1.86 1.96 0.00 3.40 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 4 T 8.43 3.92 4.30 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 1.29 0.00 0.00 5 W 8.12 4.75 0.00 3.34 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 6 Q 7.62 4.15 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 7 P 0.00 3.40 0.00 1.89 1.91 0.00 3.42 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.35 0.00 8 N 7.95 4.66 0.00 2.57 2.48 0.00 0.00 7.16 7.65 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 9 R 8.80 3.95 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 10 R 8.07 3.83 0.00 1.87 1.89 0.00 3.21 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 7.92 3.86 0.00 1.87 1.96 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.62 7.81 12 R 8.06 3.99 0.00 2.19 2.16 0.00 3.52 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 13 A 8.02 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.64 4.02 0.00 1.89 1.85 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 15 T 7.93 4.33 4.16 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 0.00 0.00 1.26 0.00 0.00 16 H 8.26 4.79 0.00 3.19 3.38 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 17 G 7.70 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 4.10 0.00 3.22 3.04 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 19 R 8.15 4.09 0.00 1.91 2.04 0.00 3.55 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 20 A 7.87 4.13 1.33 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 0.00 0.00 21 R 8.34 3.83 0.00 1.69 1.82 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 22 M 7.48 4.01 0.00 1.94 2.00 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 2.23 1.82 0.00 23 R 7.54 3.95 0.00 1.80 2.05 0.00 3.23 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 24 T 7.13 4.56 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 1.26 0.00 0.00 25 P 0.00 4.33 0.00 2.29 2.28 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 26 G 8.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 3.94 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 0.00 0.00 0.00 28 R 8.22 3.87 0.00 1.82 1.95 0.00 3.11 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.94 0.00 29 K 7.83 3.88 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 V 7.38 3.56 2.22 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 1.03 0.00 0.00 0.96 0.00 0.00 31 L 7.66 3.91 0.00 1.85 1.68 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.01 3.87 0.00 1.83 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 33 R 8.23 3.88 0.00 2.06 1.96 0.00 3.21 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 34 R 8.52 3.93 0.00 2.04 2.05 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 35 R 8.80 3.96 0.00 2.02 2.01 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 36 Q 8.28 3.98 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 37 K 8.37 4.15 0.00 1.74 1.97 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 38 G 7.69 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.54 4.09 0.00 1.91 1.94 0.00 3.30 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 40 W 8.73 4.51 0.00 3.27 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 41 R 7.79 4.56 0.00 1.88 2.08 0.00 3.22 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 42 L 8.59 4.27 0.00 1.79 1.85 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.48 4.35 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 44 P 0.00 4.29 0.00 2.14 2.02 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 45 A 8.28 4.40 1.27 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 0.00 0.00 46 V 7.96 4.25 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 0.83 0.00 0.00 1.00 0.00 0.00 47 R 8.14 4.38 0.00 1.86 1.89 0.00 3.34 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 48 K 7.81 3.98 0.00 1.68 1.62 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.26 7.81