NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8371 8.1827 115.8224 56.3498 39.6981 175.1443 2 V 3.5223 8.6944 119.0064 66.0734 31.0485 176.0232 3 N 4.4736 9.4167 117.0804 56.7323 38.8750 176.7949 4 Q 4.0236 8.4812 118.8369 59.0446 28.6543 178.0773 5 H 4.2002 8.3042 119.3217 59.4071 29.8062 177.4138 6 L 3.9688 8.5694 121.1455 57.7375 41.3652 178.8000 7 C 4.1795 8.5910 119.2988 62.6814 31.4680 176.0125 8 G 3.5906 8.2681 107.1097 47.5946 0.0000 175.4128 9 S 3.9391 7.6925 115.4804 61.7799 62.3565 176.2036 10 H 4.0932 7.8955 118.7193 58.6363 28.3097 177.7400 11 L 3.9366 8.1348 121.0705 58.0602 41.4375 180.1074 12 V 3.2196 7.6126 112.1451 64.0392 31.3922 178.3370 13 E 3.8954 7.8308 119.0273 59.0900 29.4893 178.7474 14 A 3.9696 8.0925 120.9386 55.1245 18.4567 179.6022 15 L 3.7843 7.9664 117.8926 57.7531 41.2274 178.9017 16 Y 4.3814 7.7617 119.6016 60.9559 38.4947 178.5307 17 L 3.8121 7.6206 118.0521 57.6759 41.8485 179.3559 18 V 3.6953 7.9121 117.3163 66.3193 31.7170 177.5969 19 C 4.3174 8.4274 116.4752 60.1944 28.4599 175.1077 20 G 3.6642 8.2960 108.9197 46.2112 0.0000 176.8673 21 E 4.0266 8.9661 122.4701 59.1180 29.4378 178.3923 22 R 3.9023 7.7971 117.2896 57.0410 30.3831 178.2276 23 G 3.9961 8.2416 106.5480 45.4439 0.0000 171.7780 24 F 4.9238 7.7037 112.0788 56.0655 40.3942 172.7173 25 F 5.1040 9.0142 122.6467 56.5534 41.2038 173.2115 26 Y 4.5017 9.0984 129.3911 55.9559 39.4838 174.5426 27 T 4.0776 7.2269 117.7305 58.6374 70.4892 172.5128 28 P 4.1091 0.0000 0.0000 64.4361 31.7689 176.4335 29 K 4.0555 7.3977 122.7870 56.6076 33.0990 175.7719 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 F 8.18 4.84 0.00 3.14 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 2 V 8.69 3.52 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 1.00 0.00 0.00 0.99 0.00 0.00 3 N 9.42 4.47 0.00 3.15 3.02 0.00 0.00 7.08 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.48 4.02 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.00 5 H 8.30 4.20 0.00 3.29 3.58 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.57 3.97 0.00 1.73 1.74 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.59 4.18 0.00 3.09 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 8 G 8.27 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.69 3.94 0.00 3.70 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.90 4.09 0.00 3.31 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.13 3.94 0.00 1.81 1.71 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.61 3.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.83 0.00 0.00 13 E 7.83 3.90 0.00 1.98 2.04 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 2.28 2.39 0.00 14 A 8.09 3.97 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 15 L 7.97 3.78 0.00 0.77 0.82 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.76 4.38 0.00 3.22 3.20 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 0.00 0.00 0.00 0.00 17 L 7.62 3.81 0.00 1.81 1.68 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.91 3.70 2.04 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 0.82 0.00 0.00 0.99 0.00 0.00 19 C 8.43 4.32 0.00 3.28 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 20 G 8.30 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 0.00 0.00 0.00 21 E 8.97 4.03 0.00 1.96 2.04 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 2.31 2.33 0.00 22 R 7.80 3.90 0.00 1.93 2.04 0.00 3.32 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 23 G 8.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.70 4.92 0.00 3.24 3.09 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 0.00 0.00 0.00 0.00 25 F 9.01 5.10 0.00 2.85 3.02 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 0.00 0.00 0.00 26 Y 9.10 4.50 0.00 3.26 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 27 T 7.23 4.08 3.87 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 0.00 0.00 -0.12 0.00 0.00 28 P 0.00 4.11 0.00 2.12 2.19 0.00 3.45 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 29 K 7.40 4.06 0.00 1.63 1.61 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.31 7.81