#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 0.70 -0.41 -0.02 0.00 -2.09 -0.65 103.07 100.60 3a1g h GLY -1 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3a1g h GLY -1 CO 0.00 0.34 0.00 1.44 0.00 0.00 0.00 176.54 178.32 3a1g n SER 0 N -4.34 0.10 0.00 0.19 7.64 -1.26 -1.91 113.62 114.05 3a1g n SER 0 Ca 0.03 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.41 3a1g n SER 0 Cb 0.18 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.14 0.00 -0.19 1.43 -0.00 -0.25 -2.64 120.64 118.85 3a1g n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.06 3a1g n GLU 2 Cb 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.48 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 1.02 -0.33 3.44 0.11 -1.64 -0.72 114.38 116.27 3a1g h ARG 3 Ca 0.00 -0.36 -0.13 0.00 0.10 0.00 0.00 59.98 59.59 3a1g h ARG 3 Cb 0.00 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 3a1g h ARG 3 CO 0.00 1.04 -0.34 0.97 0.10 0.00 0.00 179.97 181.74 3a1g h ILE 4 N 0.91 1.28 -0.36 0.08 6.09 -1.76 -0.22 117.51 123.53 3a1g h ILE 4 Ca 0.15 -1.49 -0.14 0.00 -1.37 0.00 0.00 64.86 62.01 3a1g h ILE 4 Cb 0.62 1.40 -0.01 0.00 0.47 0.00 0.00 36.82 39.30 3a1g h ILE 4 CO 0.04 0.49 -0.32 0.11 -3.07 0.00 0.00 178.15 175.39 3a1g h LYS 5 N 0.61 0.80 -0.50 2.19 1.57 -1.82 0.71 116.57 120.12 3a1g h LYS 5 Ca 0.06 -0.38 0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3a1g h LYS 5 Cb 0.87 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 3a1g h LYS 5 CO 0.08 1.01 0.29 0.93 -0.57 0.00 0.00 179.45 181.18 3a1g h GLU 6 N 0.67 0.56 -0.76 3.15 5.08 -0.97 0.51 114.58 122.82 3a1g h GLU 6 Ca 0.07 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3a1g h GLU 6 Cb 0.87 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3a1g h GLU 6 CO 0.08 0.37 0.50 1.25 -1.00 0.00 0.00 179.01 180.21 3a1g h LEU 7 N 0.58 0.88 -0.61 1.33 5.85 -0.67 -0.22 115.31 122.45 3a1g h LEU 7 Ca 0.21 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3a1g h LEU 7 Cb 0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3a1g h LEU 7 CO -0.10 0.65 0.40 -0.09 -0.34 0.00 0.00 178.44 178.95 3a1g h ARG 8 N 1.04 0.78 -0.69 1.25 2.43 -0.53 -2.46 114.38 116.20 3a1g h ARG 8 Ca 0.28 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3a1g h ARG 8 Cb -0.11 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.23 3a1g h ARG 8 CO -0.06 0.52 0.40 -0.97 -1.51 0.00 0.00 179.97 178.35 3a1g h ASN 9 N 0.81 0.85 0.00 -3.80 -1.24 -0.45 -2.83 115.58 108.91 3a1g h ASN 9 Ca 0.23 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3a1g h ASN 9 Cb -0.06 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.77 3a1g h ASN 9 CO -0.06 0.68 0.00 0.18 -1.29 0.00 0.00 177.43 176.93 3a1g n LEU 10 N -4.53 0.98 0.00 0.34 4.32 -0.13 -3.87 117.00 114.12 3a1g n LEU 10 Ca 0.06 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.59 3a1g n LEU 10 Cb 0.07 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 3a1g n LEU 10 CO 0.37 0.18 0.00 -1.20 -1.22 0.00 0.00 177.39 175.52 3a1g n SER 12 N 1.45 0.00 -4.17 -1.43 7.64 -1.07 -2.93 113.62 113.11 3a1g n SER 12 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 3a1g n SER 12 Cb 0.11 -0.25 -0.17 0.00 -1.01 0.00 0.00 64.21 62.90 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 -0.01 2.90 0.39 1.43 -0.21 -1.25 -5.05 119.66 117.86 3a1g s GLN 13 Ca 0.00 -0.82 0.06 0.00 0.02 0.00 0.00 55.36 54.63 3a1g s GLN 13 Cb 0.00 -2.30 0.79 0.00 1.00 0.00 0.00 33.01 32.49 3a1g s GLN 13 CO 0.00 0.04 2.01 0.66 -2.12 0.00 0.00 175.29 175.87 3a1g h SER 14 N 7.15 0.47 0.24 5.90 4.64 -1.97 -1.33 113.55 128.66 3a1g h SER 14 Ca -0.28 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3a1g h SER 14 Cb 1.20 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3a1g h SER 14 CO 0.52 0.40 -0.12 -0.09 -0.87 0.00 0.00 176.83 176.68 3a1g h ARG 15 N 0.54 -0.32 -0.04 4.77 9.65 -1.97 0.04 114.38 127.06 3a1g h ARG 15 Ca 0.14 0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.93 3a1g h ARG 15 Cb 0.05 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3a1g h ARG 15 CO -0.02 0.03 -0.49 1.79 2.80 0.00 0.00 179.97 184.08 3a1g h THR 16 N -0.73 1.35 -0.22 0.20 1.35 -1.75 -0.95 112.91 112.16 3a1g h THR 16 Ca -0.03 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3a1g h THR 16 Cb 0.49 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 3a1g h THR 16 CO 0.05 0.49 0.14 -0.09 -0.25 0.00 0.00 175.52 175.87 3a1g h ARG 17 N 0.08 0.30 -0.11 4.72 2.43 -1.12 -0.14 114.38 120.53 3a1g h ARG 17 Ca 0.00 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3a1g h ARG 17 Cb 0.90 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.33 3a1g h ARG 17 CO 0.07 0.22 -0.24 1.49 -1.51 0.00 0.00 179.97 180.00 3a1g h GLU 18 N 0.29 -0.31 -0.00 0.20 4.81 -0.36 -0.55 114.58 118.66 3a1g h GLU 18 Ca 0.08 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3a1g h GLU 18 Cb -0.01 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 3a1g h GLU 18 CO -0.02 -0.20 -0.30 0.82 -0.73 0.00 0.00 179.01 178.57 3a1g h ILE 19 N -0.32 0.33 -0.14 2.32 2.04 -1.06 -1.10 117.51 119.57 3a1g h ILE 19 Ca 0.10 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 3a1g h ILE 19 Cb 0.46 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3a1g h ILE 19 CO -0.30 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.60 3a1g h LEU 20 N -0.45 0.23 0.06 1.44 4.07 -0.78 -1.02 115.31 118.87 3a1g h LEU 20 Ca 0.06 -0.06 -0.28 0.00 0.08 0.00 0.00 57.88 57.69 3a1g h LEU 20 Cb 0.54 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 3a1g h LEU 20 CO -0.26 0.44 -1.43 0.71 -1.08 0.00 0.00 178.44 176.82 3a1g h THR 21 N 0.22 1.24 0.00 0.22 1.35 -0.92 -3.39 112.91 111.63 3a1g h THR 21 Ca 0.04 -2.94 -0.13 0.00 -0.55 0.00 0.00 66.41 62.83 3a1g h THR 21 Cb 0.47 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.58 3a1g h THR 21 CO 0.03 0.79 -1.85 0.29 -0.25 0.00 0.00 175.52 174.53 3a1g n LYS 22 N -3.34 0.65 -2.90 4.72 5.02 -0.43 -4.91 118.16 116.97 3a1g n LYS 22 Ca -0.12 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.73 3a1g n LYS 22 Cb 1.02 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 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 -3.12 4.89 0.54 -0.18 2.01 -0.40 -5.05 115.64 114.34 3a1g s THR 23 Ca -0.07 1.62 -0.10 0.00 0.31 0.00 0.00 61.69 63.45 3a1g s THR 23 Cb 0.10 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 3a1g s THR 23 CO 0.85 0.04 0.92 0.42 -0.69 0.00 0.00 174.62 176.17 3a1g s THR 24 N 2.06 4.74 0.22 -0.82 -4.23 -1.26 -4.91 115.64 111.44 3a1g s THR 24 Ca 0.38 0.72 -0.09 0.00 -1.18 0.00 0.00 61.69 61.52 3a1g s THR 24 Cb -0.17 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.01 3a1g s THR 24 CO 0.13 -0.91 1.87 0.58 -0.54 0.00 0.00 174.62 175.75 3a1g h VAL 25 N 0.21 1.16 -0.99 2.29 2.07 -1.98 -1.82 116.25 117.19 3a1g h VAL 25 Ca -0.46 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 66.85 3a1g h VAL 25 Cb 1.19 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 3a1g h VAL 25 CO 0.62 0.18 0.61 0.44 0.02 0.00 0.00 177.57 179.45 3a1g h ASP 26 N 1.01 0.87 0.00 0.57 3.32 -2.04 -3.37 116.42 116.78 3a1g h ASP 26 Ca 0.29 0.06 -0.34 0.00 0.02 0.00 0.00 57.03 57.06 3a1g h ASP 26 Cb -0.06 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3a1g h ASP 26 CO -0.08 0.43 1.75 1.41 -1.72 0.00 0.00 179.24 181.03 3a1g n HIS 27 N -4.67 1.03 0.00 4.55 8.25 -0.69 -4.17 115.22 119.53 3a1g n HIS 27 Ca 0.19 -1.85 0.00 0.00 -0.26 0.00 0.00 57.72 55.81 3a1g n HIS 27 Cb 0.39 -1.68 0.00 0.00 1.12 0.00 0.00 29.99 29.82 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 3.43 0.00 -0.01 -1.41 0.00 -1.26 -0.73 120.51 120.53 3a1g n ALA 29 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3a1g n ALA 29 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3a1g n ALA 29 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3a1g n ILE 30 N 0.00 0.00 -0.34 0.00 5.41 -1.26 -0.24 119.36 122.94 3a1g n ILE 30 Ca 0.00 1.50 0.03 0.00 1.00 0.00 0.00 62.75 65.28 3a1g n ILE 30 Cb 0.00 -2.28 0.18 0.00 -0.71 0.00 0.00 39.64 36.83 3a1g n ILE 30 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3a1g h ILE 31 N 0.00 1.01 0.00 1.39 2.04 -1.29 -1.82 117.51 118.85 3a1g h ILE 31 Ca 0.00 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 3a1g h ILE 31 Cb 0.00 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 3a1g h ILE 31 CO 0.00 0.19 -0.24 0.11 0.00 0.00 0.00 178.15 178.20 3a1g h LYS 32 N 1.01 0.00 -0.74 2.37 6.56 -1.73 -2.33 116.57 121.72 3a1g h LYS 32 Ca 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 3a1g h LYS 32 Cb 0.27 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.89 3a1g h LYS 32 CO -0.21 0.24 0.47 -0.22 -2.06 0.00 0.00 179.45 177.68 3a1g h LYS 33 N 0.00 0.99 -0.65 3.15 3.64 0.30 -2.98 116.57 121.01 3a1g h LYS 33 Ca -0.00 -0.07 -0.32 0.00 -1.27 0.00 0.00 60.65 58.99 3a1g h LYS 33 Cb 0.60 -0.22 -0.19 0.00 -0.41 0.00 0.00 32.23 32.01 3a1g h LYS 33 CO 0.03 0.67 0.26 0.66 -2.27 0.00 0.00 179.45 178.80 3a1g n TYR 34 N -4.41 2.04 1.16 1.91 4.02 -0.89 -5.13 117.16 115.86 3a1g n TYR 34 Ca 0.08 -1.65 0.13 0.00 -0.01 0.00 0.00 57.90 56.44 3a1g n TYR 34 Cb 0.05 -0.70 0.24 0.00 -0.02 0.00 0.00 39.34 38.91 3a1g n TYR 34 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26