#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1g h GLY -1 N 0.00 0.94 -0.95 -0.02 0.00 -2.09 -0.01 103.07 100.93 3a1g h GLY -1 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3a1g h GLY -1 CO 0.00 0.50 0.00 1.44 0.00 0.00 0.00 176.54 178.48 3a1g n SER 0 N -4.28 0.21 0.00 0.19 7.64 -1.26 -1.43 113.62 114.69 3a1g n SER 0 Ca 0.04 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.49 3a1g n SER 0 Cb 0.22 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3a1g n SER 0 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3a1g n GLU 2 N 0.35 0.00 0.02 1.43 -0.00 -0.02 -2.55 120.64 119.87 3a1g n GLU 2 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.08 3a1g n GLU 2 Cb 0.05 0.00 0.08 0.00 -0.00 0.00 0.00 31.44 31.57 3a1g n GLU 2 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 3a1g h ARG 3 N 0.00 0.49 -0.18 3.44 0.11 -1.50 -1.22 114.38 115.52 3a1g h ARG 3 Ca 0.00 -0.30 -0.19 0.00 0.10 0.00 0.00 59.98 59.59 3a1g h ARG 3 Cb 0.00 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.11 3a1g h ARG 3 CO 0.00 0.89 -0.67 0.97 0.10 0.00 0.00 179.97 181.27 3a1g h ILE 4 N 0.38 1.31 -0.58 0.08 6.09 -1.74 -1.83 117.51 121.23 3a1g h ILE 4 Ca 0.01 -1.91 -0.02 0.00 -1.37 0.00 0.00 64.86 61.57 3a1g h ILE 4 Cb 1.05 1.88 -0.03 0.00 0.47 0.00 0.00 36.82 40.19 3a1g h ILE 4 CO 0.10 0.60 0.28 0.11 -3.07 0.00 0.00 178.15 176.17 3a1g h LYS 5 N 0.50 0.83 -0.34 2.19 1.57 -1.80 0.32 116.57 119.83 3a1g h LYS 5 Ca -0.02 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3a1g h LYS 5 Cb 1.26 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 3a1g h LYS 5 CO 0.13 0.67 0.22 1.49 -0.57 0.00 0.00 179.45 181.39 3a1g h GLU 6 N 0.78 0.46 -0.41 3.15 4.81 -1.15 0.18 114.58 122.40 3a1g h GLU 6 Ca 0.20 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3a1g h GLU 6 Cb 0.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3a1g h GLU 6 CO -0.03 0.32 0.26 1.25 -0.73 0.00 0.00 179.01 180.08 3a1g h LEU 7 N 0.46 0.44 -0.96 1.64 5.85 -1.16 0.33 115.31 121.90 3a1g h LEU 7 Ca 0.12 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3a1g h LEU 7 Cb -0.03 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3a1g h LEU 7 CO -0.03 0.32 0.63 -0.09 -0.34 0.00 0.00 178.44 178.93 3a1g h ARG 8 N 0.53 1.20 -0.60 1.25 1.12 -0.61 -2.50 114.38 114.77 3a1g h ARG 8 Ca 0.16 -0.07 -0.10 0.00 -1.11 0.00 0.00 59.98 58.85 3a1g h ARG 8 Cb -0.03 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 29.64 3a1g h ARG 8 CO -0.05 0.79 -0.02 -0.91 -3.11 0.00 0.00 179.97 176.67 3a1g h ASN 9 N 1.24 1.06 0.00 -3.80 2.35 -0.04 -2.66 115.58 113.73 3a1g h ASN 9 Ca 0.38 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3a1g h ASN 9 Cb -0.03 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.05 3a1g h ASN 9 CO -0.11 1.12 0.00 0.18 -1.65 0.00 0.00 177.43 176.97 3a1g n LEU 10 N -4.17 1.26 0.00 1.61 4.32 0.05 -3.89 117.00 116.19 3a1g n LEU 10 Ca 0.03 -0.58 0.00 0.00 -0.02 0.00 0.00 56.01 55.44 3a1g n LEU 10 Cb 0.36 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3a1g n LEU 10 CO 0.45 0.23 0.00 -1.20 -1.22 0.00 0.00 177.39 175.65 3a1g n SER 12 N 1.60 0.00 -4.28 -1.43 7.64 -1.00 -2.69 113.62 113.45 3a1g n SER 12 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 3a1g n SER 12 Cb 0.13 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.17 3a1g n SER 12 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3a1g s GLN 13 N 0.00 2.42 0.20 1.43 -0.21 -1.25 -5.06 119.66 117.18 3a1g s GLN 13 Ca 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 55.36 54.36 3a1g s GLN 13 Cb 0.00 -2.13 0.20 0.00 1.00 0.00 0.00 33.01 32.08 3a1g s GLN 13 CO 0.00 0.44 1.79 0.66 -2.12 0.00 0.00 175.29 176.06 3a1g h SER 14 N 5.88 0.43 0.02 5.90 4.64 -1.98 -0.99 113.55 127.46 3a1g h SER 14 Ca -0.35 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3a1g h SER 14 Cb 1.16 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3a1g h SER 14 CO 0.47 0.29 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.62 3a1g h ARG 15 N 0.57 -0.02 -0.44 4.77 9.65 -1.97 -0.73 114.38 126.22 3a1g h ARG 15 Ca 0.27 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 59.06 3a1g h ARG 15 Cb 0.19 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 3a1g h ARG 15 CO -0.19 0.18 -0.11 1.79 2.80 0.00 0.00 179.97 184.45 3a1g h THR 16 N -0.22 1.26 -0.46 0.20 1.35 -1.75 -2.11 112.91 111.18 3a1g h THR 16 Ca -0.00 -1.16 0.03 0.00 -0.55 0.00 0.00 66.41 64.72 3a1g h THR 16 Cb 0.21 1.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 3a1g h THR 16 CO 0.00 0.40 0.26 -0.09 -0.25 0.00 0.00 175.52 175.84 3a1g h ARG 17 N 0.71 0.51 -0.11 4.72 2.43 -0.96 -1.07 114.38 120.61 3a1g h ARG 17 Ca 0.12 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3a1g h ARG 17 Cb 0.59 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3a1g h ARG 17 CO 0.04 0.34 -0.07 0.93 -1.51 0.00 0.00 179.97 179.70 3a1g h GLU 18 N 0.52 -0.06 -0.34 0.20 5.08 -0.94 -0.88 114.58 118.16 3a1g h GLU 18 Ca 0.19 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3a1g h GLU 18 Cb 0.05 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3a1g h GLU 18 CO -0.10 -0.04 0.04 0.82 -1.00 0.00 0.00 179.01 178.73 3a1g h ILE 19 N -0.07 0.80 -0.01 3.13 2.04 -1.17 -1.18 117.51 121.05 3a1g h ILE 19 Ca 0.07 -0.05 -0.15 0.00 1.00 0.00 0.00 64.86 65.73 3a1g h ILE 19 Cb 0.16 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3a1g h ILE 19 CO -0.15 0.03 -0.70 -0.07 0.00 0.00 0.00 178.15 177.26 3a1g h LEU 20 N 0.15 0.04 0.04 1.44 3.38 -0.85 -1.99 115.31 117.52 3a1g h LEU 20 Ca 0.16 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 3a1g h LEU 20 Cb 0.20 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3a1g h LEU 20 CO -0.23 0.72 -1.34 0.71 0.09 0.00 0.00 178.44 178.39 3a1g h THR 21 N 0.02 1.32 0.03 0.22 1.35 -1.00 -3.39 112.91 111.47 3a1g h THR 21 Ca -0.01 -3.05 -0.34 0.00 -0.55 0.00 0.00 66.41 62.46 3a1g h THR 21 Cb 1.23 2.71 -0.05 0.00 -1.73 0.00 0.00 68.15 70.31 3a1g h THR 21 CO 0.09 0.80 -2.01 0.29 -0.25 0.00 0.00 175.52 174.44 3a1g n LYS 22 N -3.30 0.68 -2.84 4.72 5.02 -0.46 -4.93 118.16 117.05 3a1g n LYS 22 Ca -0.09 0.21 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 3a1g n LYS 22 Cb 1.00 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 3a1g n LYS 22 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3a1g s THR 23 N -2.56 4.90 0.50 -0.18 2.01 -0.75 -5.04 115.64 114.52 3a1g s THR 23 Ca -0.14 1.79 -0.11 0.00 0.31 0.00 0.00 61.69 63.54 3a1g s THR 23 Cb 0.07 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 3a1g s THR 23 CO 0.78 0.12 0.88 0.42 -0.69 0.00 0.00 174.62 176.13 3a1g s THR 24 N 1.45 4.75 0.21 -0.82 -4.23 -1.26 -4.92 115.64 110.82 3a1g s THR 24 Ca 0.44 0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 61.55 3a1g s THR 24 Cb -0.18 -3.79 0.14 0.00 1.34 0.00 0.00 72.50 70.00 3a1g s THR 24 CO 0.19 -0.78 1.82 0.58 -0.54 0.00 0.00 174.62 175.89 3a1g h VAL 25 N 0.52 1.00 -0.87 2.29 2.07 -1.98 -2.34 116.25 116.93 3a1g h VAL 25 Ca -0.46 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 66.90 3a1g h VAL 25 Cb 1.19 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 3a1g h VAL 25 CO 0.62 0.13 0.56 0.44 0.02 0.00 0.00 177.57 179.35 3a1g h ASP 26 N 0.72 0.79 0.00 0.57 3.32 -2.04 -3.38 116.42 116.40 3a1g h ASP 26 Ca 0.29 0.02 -0.38 0.00 0.02 0.00 0.00 57.03 56.97 3a1g h ASP 26 Cb 0.14 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3a1g h ASP 26 CO -0.16 0.47 1.92 1.41 -1.72 0.00 0.00 179.24 181.17 3a1g n HIS 27 N -4.52 1.18 0.00 4.55 8.25 -0.89 -4.33 115.22 119.46 3a1g n HIS 27 Ca 0.15 -2.03 0.00 0.00 -0.26 0.00 0.00 57.72 55.57 3a1g n HIS 27 Cb 0.30 -1.82 0.00 0.00 1.12 0.00 0.00 29.99 29.59 3a1g n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a1g n ALA 29 N 3.38 0.00 0.45 -1.41 0.00 -1.26 -0.94 120.51 120.72 3a1g n ALA 29 Ca 0.52 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.76 3a1g n ALA 29 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 3a1g n ALA 29 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3a1g h ILE 30 N 0.00 0.04 -0.29 0.00 2.04 -1.93 0.30 117.51 117.68 3a1g h ILE 30 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3a1g h ILE 30 Cb 0.00 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 3a1g h ILE 30 CO 0.00 0.00 0.14 0.40 0.00 0.00 0.00 178.15 178.69 3a1g h ILE 31 N -1.21 0.99 -0.89 -0.67 2.04 -1.41 -2.77 117.51 113.59 3a1g h ILE 31 Ca -0.11 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 65.75 3a1g h ILE 31 Cb 0.96 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3a1g h ILE 31 CO 0.13 0.06 0.57 0.11 0.00 0.00 0.00 178.15 179.02 3a1g h LYS 32 N 0.30 0.83 -0.79 2.37 1.57 -1.74 -2.12 116.57 116.99 3a1g h LYS 32 Ca 0.12 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3a1g h LYS 32 Cb 0.03 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 3a1g h LYS 32 CO -0.08 0.55 0.52 -0.22 -0.57 0.00 0.00 179.45 179.65 3a1g h LYS 33 N 0.86 0.80 -0.49 3.15 3.64 -0.11 -1.66 116.57 122.76 3a1g h LYS 33 Ca 0.42 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.71 3a1g h LYS 33 Cb 0.46 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3a1g h LYS 33 CO -0.18 0.53 0.04 0.66 -2.27 0.00 0.00 179.45 178.23 3a1g n TYR 34 N -4.49 1.73 0.70 1.91 4.02 -0.84 -5.12 117.16 115.06 3a1g n TYR 34 Ca 0.12 -0.90 0.08 0.00 -0.01 0.00 0.00 57.90 57.20 3a1g n TYR 34 Cb 0.24 -0.48 0.07 0.00 -0.02 0.00 0.00 39.34 39.16 3a1g n TYR 34 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26