NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9912 8.3249 122.8274 58.1723 40.3879 173.8749 2 V 4.2787 8.6929 119.9768 57.8424 35.4934 173.8443 3 N 4.9106 8.4628 115.7535 51.9872 37.6481 171.7417 4 Q 4.6244 7.4688 119.2746 55.6744 33.1447 173.8349 5 H 4.8453 8.5154 110.5742 54.9038 27.9093 176.7281 6 L 4.3593 7.3517 119.8443 53.4388 41.1327 176.5445 7 C 4.6807 8.0684 124.4580 56.1332 31.1252 172.4565 8 G 4.3199 8.1386 119.4471 44.9986 0.0000 174.0422 9 S 3.9889 7.9408 113.4623 60.6202 63.3002 176.2931 10 H 4.6102 7.9308 116.6146 57.0993 29.7365 177.1763 11 L 3.9446 7.5775 119.0065 57.0108 41.3908 179.3891 12 V 3.2763 7.8281 118.9475 65.8008 31.6834 177.7232 13 E 3.8022 7.7840 118.4004 58.9074 29.3796 178.8099 14 A 3.9327 8.0930 121.0586 54.9988 18.5628 179.3102 15 L 3.7744 7.8232 118.8617 58.5587 42.2027 178.8483 16 Y 4.0868 8.2186 118.0533 60.2760 37.5318 177.9952 17 L 4.0789 7.6760 120.1144 57.4636 42.2055 178.5702 18 V 3.9017 7.4607 117.4346 65.4529 31.8166 177.5218 19 C 4.3694 8.0707 115.8382 61.7826 28.0994 175.2402 20 G 3.7736 7.6886 105.7133 45.5344 0.0000 173.2751 21 E 3.7461 8.2736 115.3261 57.4480 26.1431 174.1244 22 R 4.4238 7.0738 118.4410 55.6227 33.5748 177.2755 23 G 3.8429 7.0244 114.5580 47.1571 0.0000 172.4751 24 F 5.1749 7.2503 113.1161 54.8240 41.1209 175.1557 25 F 5.0290 8.4417 113.8479 56.1221 40.9877 173.5898 26 Y 4.5177 8.7248 122.6249 59.1464 36.6975 169.9506 27 T 4.5498 6.8080 111.1157 64.8307 69.4572 175.3812 28 P 3.8055 0.0000 0.0000 62.7802 29.1749 175.6741 29 K 4.3209 8.3365 125.5818 55.2337 32.5944 176.6189 30 T 4.2022 8.3569 122.2216 63.7317 68.9342 174.0576 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 8.32 4.99 0.00 2.86 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 2 V 8.69 4.28 2.07 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 0.81 0.00 0.00 1.01 0.00 0.00 3 N 8.46 4.91 0.00 2.64 2.60 0.00 0.00 5.55 7.31 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 4 Q 7.47 4.62 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 7.45 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 5 H 8.52 4.85 0.00 3.16 3.21 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.35 4.36 0.00 1.65 1.64 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.07 4.68 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 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 0.00 0.00 0.00 0.00 9 S 7.94 3.99 0.00 3.92 4.09 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 10 H 7.93 4.61 0.00 3.17 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.58 3.94 0.00 1.47 1.53 0.92 0.83 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 12 V 7.83 3.28 1.95 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 0.41 0.00 0.00 0.90 0.00 0.00 13 E 7.78 3.80 0.00 2.10 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 2.25 2.44 0.00 14 A 8.09 3.93 1.36 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 0.00 0.00 0.00 15 L 7.82 3.77 0.00 1.59 1.65 0.40 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.22 4.09 0.00 3.03 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 17 L 7.68 4.08 0.00 1.96 1.89 0.92 1.03 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 18 V 7.46 3.90 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 0.84 0.00 0.00 0.98 0.00 0.00 19 C 8.07 4.37 0.00 3.09 3.16 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 0.00 20 G 7.69 3.77 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 0.00 0.00 0.00 21 E 8.27 3.75 0.00 2.25 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 2.35 2.34 0.00 22 R 7.07 4.42 0.00 1.81 1.78 0.00 3.20 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 23 G 7.02 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 0.00 0.00 0.00 24 F 7.25 5.17 0.00 2.88 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 8.44 5.03 0.00 3.21 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 26 Y 8.72 4.52 0.00 2.81 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 27 T 6.81 4.55 4.23 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 1.20 0.00 0.00 28 P 0.00 3.81 0.00 1.96 1.90 0.00 3.31 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 29 K 8.34 4.32 0.00 1.70 1.72 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.44 7.81 30 T 8.36 4.20 4.23 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 1.21 0.00 0.00