#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqg n SER 2 N 0.00 1.33 0.00 1.61 7.64 -1.26 -5.10 113.62 117.84 2wqg n SER 2 Ca 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2wqg n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wqg n ALA 3 N -3.00 0.11 -3.77 -0.43 0.00 -1.26 -4.99 120.51 107.17 2wqg n ALA 3 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2wqg n ALA 3 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2wqg n ALA 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wqg n ASP 4 N -0.68 -2.30 0.12 0.00 -0.08 -1.26 -4.83 116.55 107.52 2wqg n ASP 4 Ca 0.00 -0.81 0.16 0.00 -1.51 0.00 0.00 54.79 52.63 2wqg n ASP 4 Cb 0.00 -3.99 0.71 0.00 2.34 0.00 0.00 41.12 40.18 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2wqg h TYR 5 N -1.95 0.00 -0.37 -0.67 0.05 -1.94 -0.89 116.97 111.20 2wqg h TYR 5 Ca -0.60 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.29 2wqg h TYR 5 Cb 1.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.09 2wqg h TYR 5 CO 0.50 0.00 0.52 1.03 -1.05 0.00 0.00 178.16 179.16 2wqg h SER 6 N 0.00 0.00 0.00 3.88 0.87 -1.91 0.32 113.55 116.71 2wqg h SER 6 Ca 0.15 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 2wqg h SER 6 Cb 0.63 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2wqg h SER 6 CO -0.00 0.00 -1.90 -0.24 -0.53 0.00 0.00 176.83 174.16 2wqg n SER 7 N -3.43 0.98 -3.81 6.23 2.88 -0.35 -4.99 113.62 111.13 2wqg n SER 7 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2wqg n SER 7 Cb 0.68 1.53 0.00 0.00 -0.75 0.00 0.00 64.21 65.67 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wqg n LEU 8 N -2.26 0.00 -4.55 2.46 4.32 0.11 -5.04 117.00 112.04 2wqg n LEU 8 Ca -0.10 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.65 2wqg n LEU 8 Cb 0.63 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.34 2wqg n LEU 8 CO 0.36 -0.64 -0.41 0.28 -1.22 0.00 0.00 177.39 175.76 2wqg s THR 9 N -0.14 2.94 0.30 -5.08 -1.32 -1.26 -5.02 115.64 106.06 2wqg s THR 9 Ca 0.00 -2.14 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 2wqg s THR 9 Cb 0.00 -2.55 0.18 0.00 -1.51 0.00 0.00 72.50 68.62 2wqg s THR 9 CO 0.00 -0.36 1.88 -0.37 -2.21 0.00 0.00 174.62 173.55 2wqg h VAL 10 N 2.16 1.21 -0.43 5.08 -1.51 -1.96 0.12 116.25 120.92 2wqg h VAL 10 Ca -0.42 -0.69 -0.03 0.00 -1.23 0.00 0.00 66.70 64.33 2wqg h VAL 10 Cb 1.25 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 2wqg h VAL 10 CO 0.59 0.26 0.15 -0.37 -1.23 0.00 0.00 177.57 176.98 2wqg h VAL 11 N 0.78 1.22 -0.09 7.19 -1.51 -1.99 -1.20 116.25 120.65 2wqg h VAL 11 Ca 0.18 -0.70 -0.15 0.00 -1.23 0.00 0.00 66.70 64.80 2wqg h VAL 11 Cb 0.20 0.85 0.01 0.00 -2.13 0.00 0.00 31.29 30.22 2wqg h VAL 11 CO -0.01 0.25 -0.53 1.56 -1.23 0.00 0.00 177.57 177.61 2wqg h GLN 12 N 0.56 0.52 0.02 5.19 4.20 -1.92 -1.20 115.11 122.49 2wqg h GLN 12 Ca 0.14 -0.44 0.02 0.00 0.06 0.00 0.00 58.65 58.44 2wqg h GLN 12 Cb 0.24 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2wqg h GLN 12 CO -0.01 1.07 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.98 2wqg h LEU 13 N 0.12 -0.50 -0.44 1.46 4.07 -0.69 0.26 115.31 119.59 2wqg h LEU 13 Ca -0.04 0.07 -0.18 0.00 0.08 0.00 0.00 57.88 57.81 2wqg h LEU 13 Cb 1.18 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 2wqg h LEU 13 CO 0.11 -0.24 -0.71 0.07 -1.08 0.00 0.00 178.44 176.59 2wqg h LYS 14 N -0.30 0.39 -0.32 1.13 5.09 -1.31 -0.21 116.57 121.05 2wqg h LYS 14 Ca 0.05 -0.31 -0.02 0.00 0.09 0.00 0.00 60.65 60.46 2wqg h LYS 14 Cb 0.35 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.73 2wqg h LYS 14 CO -0.15 0.95 0.13 0.22 -2.09 0.00 0.00 179.45 178.50 2wqg h ASP 15 N 0.27 0.45 0.48 7.07 1.82 -0.94 -1.72 116.42 123.85 2wqg h ASP 15 Ca -0.03 -0.17 -0.13 0.00 -0.39 0.00 0.00 57.03 56.31 2wqg h ASP 15 Cb 1.27 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.15 2wqg h ASP 15 CO 0.12 0.50 -0.58 0.17 -1.61 0.00 0.00 179.24 177.83 2wqg h LEU 16 N 0.37 0.12 0.43 2.28 -0.00 -0.50 -2.06 115.31 115.96 2wqg h LEU 16 Ca 0.11 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 2wqg h LEU 16 Cb 0.19 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 2wqg h LEU 16 CO -0.01 0.67 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.73 2wqg h LEU 17 N 0.08 -0.80 -0.94 0.17 3.38 -0.54 0.72 115.31 117.39 2wqg h LEU 17 Ca -0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2wqg h LEU 17 Cb 1.05 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 2wqg h LEU 17 CO 0.08 -0.47 0.15 0.00 0.09 0.00 0.00 178.44 178.29 2wqg h THR 18 N -0.73 1.24 0.00 0.22 1.03 -1.34 -0.85 112.91 112.48 2wqg h THR 18 Ca -0.04 -0.86 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 2wqg h THR 18 Cb 0.62 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 2wqg h THR 18 CO 0.02 0.32 0.00 0.29 -0.01 0.00 0.00 175.52 176.14 2wqg n LYS 19 N -4.26 0.09 0.00 0.00 5.02 -0.78 -2.55 118.16 115.68 2wqg n LYS 19 Ca 0.04 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.68 2wqg n LYS 19 Cb 0.23 -1.65 0.16 0.00 -0.02 0.00 0.00 35.03 33.76 2wqg n LYS 19 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wqg n ARG 20 N -1.81 0.22 0.00 1.97 0.63 0.25 -4.94 116.66 112.98 2wqg n ARG 20 Ca 0.04 -0.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 2wqg n ARG 20 Cb 0.27 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.68 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2wqg n ASN 21 N -1.26 0.00 -1.05 6.15 3.02 -1.06 -5.06 115.26 116.00 2wqg n ASN 21 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2wqg n ASN 21 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2wqg n ASN 21 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wqg n LEU 22 N 0.00 0.00 0.00 3.41 4.32 -0.60 -4.99 117.00 119.14 2wqg n LEU 22 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 2wqg n LEU 22 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2wqg n LEU 22 CO 0.00 0.00 -0.07 -1.20 -1.22 0.00 0.00 177.39 174.90 2wqg n SER 23 N 0.00 0.99 0.00 -1.43 7.64 -1.26 -3.94 113.62 115.62 2wqg n SER 23 Ca 0.00 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2wqg n SER 23 Cb 0.00 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2wqg n SER 23 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2wqg n VAL 24 N -0.38 0.02 -0.57 0.44 0.24 -1.26 -4.46 118.33 112.36 2wqg n VAL 24 Ca -0.02 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 2wqg n VAL 24 Cb 0.26 1.43 -0.05 0.00 -1.47 0.00 0.00 33.84 34.00 2wqg n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wqg n GLY 25 N -0.01 2.42 0.00 7.63 0.00 -1.26 -4.00 105.19 109.98 2wqg n GLY 25 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2wqg n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wqg n GLY 26 N 3.21 0.33 0.00 -0.02 0.00 -1.26 -5.16 105.19 102.29 2wqg n GLY 26 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2wqg n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wqg n LEU 27 N -0.17 0.00 -0.05 0.99 -0.00 -1.26 -4.91 117.00 111.60 2wqg n LEU 27 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2wqg n LEU 27 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2wqg n LEU 27 CO 0.00 0.00 0.55 0.50 -0.00 0.00 0.00 177.39 178.44 2wqg h LYS 28 N 0.00 -0.45 -0.61 1.96 3.64 -1.95 2.64 116.57 121.80 2wqg h LYS 28 Ca 0.00 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2wqg h LYS 28 Cb 0.00 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 2wqg h LYS 28 CO 0.00 -0.30 0.22 -2.95 -2.27 0.00 0.00 179.45 174.15 2wqg h ASN 29 N -0.47 0.21 0.28 4.20 -1.07 -1.96 0.38 115.58 117.15 2wqg h ASN 29 Ca 0.08 0.08 -0.07 0.00 0.07 0.00 0.00 56.30 56.46 2wqg h ASN 29 Cb 0.63 0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 36.94 2wqg h ASN 29 CO -0.48 0.13 -0.30 -0.33 0.07 0.00 0.00 177.43 176.51 2wqg h GLU 30 N 0.40 0.03 -0.07 4.14 5.08 -1.42 -1.76 114.58 120.99 2wqg h GLU 30 Ca 0.31 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2wqg h GLU 30 Cb 0.39 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2wqg h GLU 30 CO -0.32 0.33 -0.13 -1.49 -1.00 0.00 0.00 179.01 176.40 2wqg h TRP 31 N 0.03 0.27 -0.62 4.33 6.55 0.82 0.41 115.95 127.73 2wqg h TRP 31 Ca 0.00 -0.10 -0.03 0.00 0.95 0.00 0.00 58.89 59.72 2wqg h TRP 31 Cb 0.55 -0.05 -0.03 0.00 -0.86 0.00 0.00 29.16 28.77 2wqg h TRP 31 CO 0.00 0.73 0.28 -0.24 -1.05 0.00 0.00 178.44 178.16 2wqg h VAL 32 N -0.27 1.21 -0.16 1.49 3.04 -0.31 0.24 116.25 121.50 2wqg h VAL 32 Ca 0.00 -0.62 -0.16 0.00 -1.01 0.00 0.00 66.70 64.91 2wqg h VAL 32 Cb 0.71 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 2wqg h VAL 32 CO 0.03 0.25 -0.58 -0.61 -1.01 0.00 0.00 177.57 175.65 2wqg h GLN 33 N 0.88 0.50 -0.01 4.17 5.75 -1.25 0.22 115.11 125.38 2wqg h GLN 33 Ca 0.22 -0.33 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2wqg h GLN 33 Cb 0.12 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 2wqg h GLN 33 CO -0.03 0.94 0.00 0.00 -2.65 0.00 0.00 178.83 177.10 2wqg h ARG 34 N 0.38 0.01 0.09 1.69 3.08 0.88 -1.17 114.38 119.34 2wqg h ARG 34 Ca -0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wqg h ARG 34 Cb 1.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2wqg h ARG 34 CO 0.11 0.26 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.15 2wqg h LEU 35 N -0.25 -0.10 -0.94 3.04 3.38 -0.57 -0.41 115.31 119.46 2wqg h LEU 35 Ca 0.00 -0.30 0.16 0.00 0.09 0.00 0.00 57.88 57.83 2wqg h LEU 35 Cb 0.26 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 2wqg h LEU 35 CO 0.00 0.25 0.55 0.40 0.09 0.00 0.00 178.44 179.73 2wqg h ILE 36 N -0.48 0.77 -0.04 1.22 2.04 -0.99 0.36 117.51 120.39 2wqg h ILE 36 Ca -0.01 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 2wqg h ILE 36 Cb 0.40 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2wqg h ILE 36 CO 0.02 0.14 -0.59 0.50 0.00 0.00 0.00 178.15 178.22 2wqg h LYS 37 N 0.77 0.14 -0.50 2.37 1.63 -1.12 -0.06 116.57 119.79 2wqg h LYS 37 Ca 0.51 -0.09 -0.12 0.00 -0.85 0.00 0.00 60.65 60.10 2wqg h LYS 37 Cb 0.70 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2wqg h LYS 37 CO -0.34 0.68 -0.15 0.22 -3.45 0.00 0.00 179.45 176.40 2wqg h ASP 38 N 0.10 1.00 1.47 4.20 3.58 0.13 -2.51 116.42 124.40 2wqg h ASP 38 Ca -0.00 -0.37 -0.09 0.00 0.42 0.00 0.00 57.03 56.98 2wqg h ASP 38 Cb 1.06 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2wqg h ASP 38 CO 0.08 1.15 -0.45 0.44 -2.88 0.00 0.00 179.24 177.58 2wqg h ASP 39 N 0.85 0.00 1.22 2.28 3.32 -0.63 -3.16 116.42 120.30 2wqg h ASP 39 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2wqg h ASP 39 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 2wqg h ASP 39 CO 0.06 0.45 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.85 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 4.81 -0.79 -3.07 114.58 119.09 2wqg h GLU 40 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wqg h GLU 40 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2wqg h GLU 40 CO 0.06 0.10 0.35 0.93 -0.73 0.00 0.00 179.01 179.72 2wqg h GLU 41 N 0.00 0.00 0.00 1.92 5.08 -1.42 0.42 114.58 120.59 2wqg h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wqg h GLU 41 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2wqg h GLU 41 CO 0.01 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.47 2wqg n SER 42 N -2.71 0.18 -3.94 1.42 2.88 -1.17 -5.02 113.62 105.27 2wqg n SER 42 Ca -0.02 -0.58 -0.31 0.00 -1.33 0.00 0.00 58.87 56.63 2wqg n SER 42 Cb 0.39 0.77 0.02 0.00 -0.75 0.00 0.00 64.21 64.64 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2wqg n LYS 43 N -0.77 -5.04 -1.56 -1.46 0.00 0.14 -3.72 118.16 105.75 2wqg n LYS 43 Ca 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 58.31 58.86 2wqg n LYS 43 Cb 0.00 -5.42 0.00 0.00 0.00 0.00 0.00 35.03 29.61 2wqg n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wqg n GLY 44 N -1.62 -0.72 0.00 3.14 0.00 -1.26 -5.08 105.19 99.65 2wqg n GLY 44 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wqg n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wqg n GLU 45 N -0.49 0.75 0.00 1.61 2.13 -1.24 -5.01 120.64 118.38 2wqg n GLU 45 Ca 0.01 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.91 2wqg n GLU 45 Cb 0.02 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.11 2wqg n GLU 45 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wqg n SER 46 N -0.84 0.00 -4.72 4.31 2.88 -1.26 -4.69 113.62 109.30 2wqg n SER 46 Ca 0.00 0.39 -0.39 0.00 -1.33 0.00 0.00 58.87 57.54 2wqg n SER 46 Cb 0.00 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 62.96 2wqg n SER 46 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2wqg s GLU 47 N -2.90 4.39 -0.02 -1.46 2.12 -1.26 -4.65 118.70 114.92 2wqg s GLU 47 Ca 0.10 0.69 -0.00 0.00 0.36 0.00 0.00 54.97 56.12 2wqg s GLU 47 Cb 0.11 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 31.05 2wqg s GLU 47 CO 0.30 0.09 0.01 1.33 -0.54 0.00 0.00 175.26 176.44 2wqg n VAL 48 N 3.78 -2.37 0.13 3.70 0.24 -1.26 -4.94 118.33 117.62 2wqg n VAL 48 Ca -0.04 0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 2wqg n VAL 48 Cb 0.51 -3.07 0.00 0.00 -1.47 0.00 0.00 33.84 29.81 2wqg n VAL 48 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2wqg n SER 49 N 1.82 -0.61 -0.05 -1.34 7.64 -1.26 -4.86 113.62 114.97 2wqg n SER 49 Ca -0.02 0.45 0.25 0.00 1.01 0.00 0.00 58.87 60.56 2wqg n SER 49 Cb 0.27 0.75 0.71 0.00 -1.01 0.00 0.00 64.21 64.93 2wqg n SER 49 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2wqg h PRO 50 N 0.00 0.00 0.00 1.43 0.11 -1.94 -3.49 132.00 128.11 2wqg h PRO 50 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wqg h PRO 50 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wqg h PRO 50 CO 0.00 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 178.73