#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 1.11 -4.20 1.61 7.64 -1.26 -5.09 113.62 113.44 2wqg n SER 2 Ca 0.00 0.15 -0.21 0.00 1.01 0.00 0.00 58.87 59.82 2wqg n SER 2 Cb 0.00 -0.36 -0.13 0.00 -1.01 0.00 0.00 64.21 62.71 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wqg s ALA 3 N -2.13 1.40 -0.18 -0.43 0.00 -1.26 -5.03 121.76 114.13 2wqg s ALA 3 Ca -0.04 -0.99 0.19 0.00 0.00 0.00 0.00 51.96 51.12 2wqg s ALA 3 Cb 0.01 -0.20 0.40 0.00 0.00 0.00 0.00 23.12 23.33 2wqg s ALA 3 CO 0.05 0.27 1.20 -3.47 0.00 0.00 0.00 175.76 173.82 2wqg n ASP 4 N 1.59 0.46 0.03 0.00 2.03 -1.26 -4.92 116.55 114.48 2wqg n ASP 4 Ca -0.19 -2.06 0.22 0.00 0.52 0.00 0.00 54.79 53.29 2wqg n ASP 4 Cb 0.54 -0.09 0.72 0.00 -0.72 0.00 0.00 41.12 41.58 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2wqg h TYR 5 N 1.54 0.00 -0.41 -0.67 0.05 -1.96 0.58 116.97 116.10 2wqg h TYR 5 Ca -0.28 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.62 2wqg h TYR 5 Cb 1.45 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.17 2wqg h TYR 5 CO 0.21 0.00 0.52 1.03 -1.05 0.00 0.00 178.16 178.87 2wqg h SER 6 N 0.00 0.00 0.10 3.88 0.87 -1.91 0.37 113.55 116.86 2wqg h SER 6 Ca 0.25 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.59 2wqg h SER 6 Cb 1.28 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.19 2wqg h SER 6 CO -0.00 0.00 -2.12 -1.20 -0.53 0.00 0.00 176.83 172.98 2wqg n SER 7 N -3.51 0.13 -3.31 6.23 7.64 0.19 -4.97 113.62 116.01 2wqg n SER 7 Ca 0.07 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2wqg n SER 7 Cb 0.69 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 65.10 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wqg n LEU 8 N -2.61 0.00 -4.64 -3.43 4.32 0.13 -5.03 117.00 105.74 2wqg n LEU 8 Ca -0.20 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.54 2wqg n LEU 8 Cb 0.92 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.64 2wqg n LEU 8 CO 0.44 -1.05 -0.34 0.28 -1.22 0.00 0.00 177.39 175.50 2wqg s THR 9 N -0.51 3.54 0.47 -5.08 -1.32 -1.26 -5.00 115.64 106.47 2wqg s THR 9 Ca 0.00 -1.62 0.13 0.00 -1.21 0.00 0.00 61.69 58.99 2wqg s THR 9 Cb 0.00 -2.81 0.24 0.00 -1.51 0.00 0.00 72.50 68.42 2wqg s THR 9 CO 0.00 -0.19 2.08 -0.37 -2.21 0.00 0.00 174.62 173.92 2wqg h VAL 10 N 2.34 1.07 -0.21 5.08 -1.51 -1.96 0.19 116.25 121.25 2wqg h VAL 10 Ca -0.46 -0.23 -0.12 0.00 -1.23 0.00 0.00 66.70 64.66 2wqg h VAL 10 Cb 1.22 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2wqg h VAL 10 CO 0.58 0.08 -0.33 -0.37 -1.23 0.00 0.00 177.57 176.30 2wqg h VAL 11 N 0.17 1.33 -0.13 7.19 -1.51 -1.99 -1.94 116.25 119.37 2wqg h VAL 11 Ca 0.04 -1.54 -0.21 0.00 -1.23 0.00 0.00 66.70 63.76 2wqg h VAL 11 Cb 0.07 1.82 0.01 0.00 -2.13 0.00 0.00 31.29 31.05 2wqg h VAL 11 CO -0.00 0.48 -0.78 1.56 -1.23 0.00 0.00 177.57 177.60 2wqg h GLN 12 N 0.27 0.68 0.36 5.19 4.20 -1.87 -0.94 115.11 123.00 2wqg h GLN 12 Ca 0.02 -0.56 -0.02 0.00 0.06 0.00 0.00 58.65 58.15 2wqg h GLN 12 Cb 0.91 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2wqg h GLN 12 CO 0.08 1.18 -0.17 -0.07 -0.67 0.00 0.00 178.83 179.17 2wqg h LEU 13 N 0.46 -0.41 -0.74 1.46 4.07 -0.66 -0.02 115.31 119.46 2wqg h LEU 13 Ca -0.05 -0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.75 2wqg h LEU 13 Cb 1.39 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.22 2wqg h LEU 13 CO 0.15 -0.24 -0.53 0.07 -1.08 0.00 0.00 178.44 176.81 2wqg h LYS 14 N -0.55 0.27 0.09 1.13 2.10 -1.43 -0.26 116.57 117.93 2wqg h LYS 14 Ca -0.05 -0.16 -0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2wqg h LYS 14 Cb 0.41 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2wqg h LYS 14 CO 0.08 0.73 -0.04 0.22 -2.00 0.00 0.00 179.45 178.44 2wqg h ASP 15 N 0.21 -0.10 0.21 7.07 3.58 -1.04 -1.29 116.42 125.06 2wqg h ASP 15 Ca 0.01 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.24 2wqg h ASP 15 Cb 1.00 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2wqg h ASP 15 CO 0.08 0.08 -0.29 0.17 -2.88 0.00 0.00 179.24 176.40 2wqg h LEU 16 N -0.28 0.14 0.51 2.28 -0.00 -0.99 -1.92 115.31 115.04 2wqg h LEU 16 Ca -0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2wqg h LEU 16 Cb 0.24 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2wqg h LEU 16 CO 0.02 0.43 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.12 -0.78 -1.33 0.17 3.38 -0.54 0.63 115.31 116.96 2wqg h LEU 17 Ca 0.02 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2wqg h LEU 17 Cb 0.58 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2wqg h LEU 17 CO 0.04 -0.49 -0.14 0.00 0.09 0.00 0.00 178.44 177.94 2wqg h THR 18 N -0.78 1.19 0.00 0.22 1.03 -1.18 -0.61 112.91 112.78 2wqg h THR 18 Ca -0.06 -0.86 0.00 0.00 -0.01 0.00 0.00 66.41 65.49 2wqg h THR 18 Cb 0.64 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 2wqg h THR 18 CO 0.06 0.27 0.00 0.11 -0.01 0.00 0.00 175.52 175.95 2wqg h LYS 19 N 0.27 0.00 0.00 0.00 1.57 -0.83 -2.95 116.57 114.62 2wqg h LYS 19 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wqg h LYS 19 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2wqg h LYS 19 CO 0.02 0.00 -0.50 -2.13 -0.57 0.00 0.00 179.45 176.28 2wqg n ARG 20 N -2.46 0.21 0.00 3.15 0.63 0.21 -4.93 116.66 113.47 2wqg n ARG 20 Ca 0.03 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2wqg n ARG 20 Cb 0.35 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.62 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 -1.95 0.00 0.00 6.15 4.13 -1.10 -5.03 115.26 117.45 2wqg n ASN 21 Ca 0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.30 2wqg n ASN 21 Cb 0.41 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 2wqg n ASN 21 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wqg n LEU 22 N 0.00 0.00 0.00 3.41 4.77 -1.09 -5.00 117.00 119.08 2wqg n LEU 22 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2wqg n LEU 22 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2wqg n LEU 22 CO 0.00 0.00 0.42 -1.20 -1.33 0.00 0.00 177.39 175.28 2wqg n SER 23 N 0.00 -1.13 0.00 -1.43 7.64 -1.25 -4.73 113.62 112.72 2wqg n SER 23 Ca 0.00 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.21 2wqg n SER 23 Cb 0.00 1.86 0.00 0.00 -1.01 0.00 0.00 64.21 65.06 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 0.04 -0.71 0.44 0.24 -1.26 -4.49 118.33 112.21 2wqg n VAL 24 Ca -0.03 -0.30 -0.23 0.00 -2.04 0.00 0.00 64.34 61.74 2wqg n VAL 24 Cb 0.34 1.39 -0.02 0.00 -1.47 0.00 0.00 33.84 34.07 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 -0.02 2.76 0.00 7.63 0.00 -1.26 -4.04 105.19 110.27 2wqg n GLY 25 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 3.96 -0.53 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.20 2wqg n GLY 26 Ca 0.40 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.08 0.00 -0.03 0.99 -0.00 -1.26 -4.92 117.00 111.70 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 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 2wqg n LEU 27 CO 0.00 0.00 0.54 0.50 -0.00 0.00 0.00 177.39 178.43 2wqg h LYS 28 N 0.00 -0.49 -0.66 1.96 3.64 -1.95 2.47 116.57 121.54 2wqg h LYS 28 Ca 0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2wqg h LYS 28 Cb 0.00 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 2wqg h LYS 28 CO 0.00 -0.33 0.32 -2.95 -2.27 0.00 0.00 179.45 174.22 2wqg h ASN 29 N -0.51 0.42 0.34 4.20 -1.07 -1.96 0.26 115.58 117.26 2wqg h ASN 29 Ca 0.06 0.05 -0.06 0.00 0.07 0.00 0.00 56.30 56.43 2wqg h ASN 29 Cb 0.65 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.87 2wqg h ASN 29 CO -0.45 0.26 -0.29 -0.33 0.07 0.00 0.00 177.43 176.69 2wqg h GLU 30 N 0.57 0.00 -0.01 4.14 5.08 -1.50 -1.69 114.58 121.17 2wqg h GLU 30 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2wqg h GLU 30 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2wqg h GLU 30 CO -0.24 0.29 -0.02 -1.49 -1.00 0.00 0.00 179.01 176.55 2wqg h TRP 31 N 0.00 0.03 -0.55 4.33 6.55 0.73 -0.32 115.95 126.72 2wqg h TRP 31 Ca -0.00 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.82 2wqg h TRP 31 Cb 0.54 -0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 28.80 2wqg h TRP 31 CO 0.00 0.58 0.31 -0.24 -1.05 0.00 0.00 178.44 178.05 2wqg h VAL 32 N -0.53 1.16 0.06 1.49 3.04 -0.62 0.25 116.25 121.11 2wqg h VAL 32 Ca 0.00 -0.39 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2wqg h VAL 32 Cb 0.58 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2wqg h VAL 32 CO 0.00 0.18 -0.03 1.56 -1.01 0.00 0.00 177.57 178.27 2wqg h GLN 33 N 0.76 -0.08 -0.66 4.17 7.50 -1.25 0.60 115.11 126.15 2wqg h GLN 33 Ca 0.20 0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.28 2wqg h GLN 33 Cb 0.00 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.52 2wqg h GLN 33 CO -0.03 0.27 0.14 0.07 -1.50 0.00 0.00 178.83 177.77 2wqg h ARG 34 N -0.43 1.06 0.15 1.46 0.11 -0.72 -1.07 114.38 114.94 2wqg h ARG 34 Ca -0.01 -0.27 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 2wqg h ARG 34 Cb 0.38 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2wqg h ARG 34 CO 0.01 0.97 -0.07 -0.07 0.10 0.00 0.00 179.97 180.91 2wqg h LEU 35 N 0.99 -0.17 -1.26 0.08 3.38 -0.51 0.18 115.31 118.01 2wqg h LEU 35 Ca 0.20 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.16 2wqg h LEU 35 Cb 0.39 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2wqg h LEU 35 CO 0.01 0.04 0.57 0.40 0.09 0.00 0.00 178.44 179.55 2wqg h ILE 36 N -0.37 0.89 -0.04 1.22 2.04 -0.78 0.35 117.51 120.81 2wqg h ILE 36 Ca -0.02 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 2wqg h ILE 36 Cb 0.30 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2wqg h ILE 36 CO 0.03 0.14 -0.61 0.50 0.00 0.00 0.00 178.15 178.21 2wqg h LYS 37 N 0.76 0.14 -0.29 2.37 3.64 -0.84 -0.99 116.57 121.36 2wqg h LYS 37 Ca 0.43 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 2wqg h LYS 37 Cb 0.60 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2wqg h LYS 37 CO -0.19 0.70 -0.06 0.22 -2.27 0.00 0.00 179.45 177.85 2wqg h ASP 38 N 0.10 0.55 0.38 4.20 1.82 0.27 0.33 116.42 124.08 2wqg h ASP 38 Ca -0.01 -0.36 -0.12 0.00 -0.39 0.00 0.00 57.03 56.16 2wqg h ASP 38 Cb 1.10 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 2wqg h ASP 38 CO 0.09 0.78 -0.51 -0.78 -1.61 0.00 0.00 179.24 177.21 2wqg h ASP 39 N 0.32 0.16 1.74 2.28 1.82 -0.80 -2.84 116.42 119.10 2wqg h ASP 39 Ca 0.07 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 2wqg h ASP 39 Cb 0.53 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2wqg h ASP 39 CO 0.03 0.64 -0.26 -0.33 -1.61 0.00 0.00 179.24 177.71 2wqg h GLU 40 N 0.12 0.00 0.00 0.28 4.39 -0.99 -3.26 114.58 115.11 2wqg h GLU 40 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wqg h GLU 40 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2wqg h GLU 40 CO 0.07 0.16 0.28 0.93 -1.16 0.00 0.00 179.01 179.29 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 5.08 -0.08 0.54 114.58 122.45 2wqg h GLU 41 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2wqg h GLU 41 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2wqg h GLU 41 CO 0.02 0.00 -0.91 0.66 -1.00 0.00 0.00 179.01 177.78 2wqg h SER 42 N 0.00 0.00 -4.44 1.42 4.64 -1.73 -3.47 113.55 109.97 2wqg h SER 42 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2wqg h SER 42 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2wqg h SER 42 CO 0.00 0.39 -0.16 1.17 -0.87 0.00 0.00 176.83 177.37 2wqg n LYS 43 N -2.98 -2.63 -2.59 4.77 4.81 0.19 -4.90 118.16 114.84 2wqg n LYS 43 Ca -0.03 0.29 -0.12 0.00 -0.87 0.00 0.00 58.31 57.58 2wqg n LYS 43 Cb 0.72 -4.84 0.00 0.00 0.02 0.00 0.00 35.03 30.94 2wqg n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wqg n GLY 44 N -0.65 2.90 0.51 3.14 0.00 -1.26 -5.10 105.19 104.73 2wqg n GLY 44 Ca -0.07 -2.23 -0.04 0.00 0.00 0.00 0.00 46.02 43.68 2wqg n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wqg n GLU 45 N -1.11 0.26 -2.98 1.61 1.02 -1.26 -4.83 120.64 113.34 2wqg n GLU 45 Ca -0.01 0.10 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 2wqg n GLU 45 Cb 0.29 -0.92 -0.03 0.00 -0.02 0.00 0.00 31.44 30.77 2wqg n GLU 45 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wqg n SER 46 N -3.84 5.30 -0.05 1.62 7.64 -1.26 -4.67 113.62 118.36 2wqg n SER 46 Ca -0.07 -3.60 -0.06 0.00 1.01 0.00 0.00 58.87 56.16 2wqg n SER 46 Cb 0.25 -0.83 -0.08 0.00 -1.01 0.00 0.00 64.21 62.54 2wqg n SER 46 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2wqg n GLU 47 N 0.24 2.09 -2.85 1.43 4.07 -1.26 -4.86 120.64 119.50 2wqg n GLU 47 Ca 0.34 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.33 2wqg n GLU 47 Cb 0.35 -1.27 0.03 0.00 -0.06 0.00 0.00 31.44 30.50 2wqg n GLU 47 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2wqg n VAL 48 N -2.44 -0.14 -4.40 6.31 3.14 -1.26 -5.14 118.33 114.41 2wqg n VAL 48 Ca -0.18 -2.13 -0.35 0.00 -2.96 0.00 0.00 64.34 58.73 2wqg n VAL 48 Cb 0.83 0.76 -0.10 0.00 -1.06 0.00 0.00 33.84 34.27 2wqg n VAL 48 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2wqg s SER 49 N -1.57 5.16 0.55 6.55 0.01 -1.26 -5.00 113.70 118.14 2wqg s SER 49 Ca 0.31 0.11 0.28 0.00 1.31 0.00 0.00 55.95 57.97 2wqg s SER 49 Cb 0.24 -1.43 1.45 0.00 0.21 0.00 0.00 66.02 66.49 2wqg s SER 49 CO -0.18 0.37 1.95 -0.65 0.41 0.00 0.00 173.24 175.14 2wqg h PRO 50 N 5.11 0.00 -0.01 12.44 0.11 -2.00 -3.53 132.00 144.12 2wqg h PRO 50 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wqg h PRO 50 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wqg h PRO 50 CO 0.54 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.37