#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 1.85 0.00 1.61 7.64 -1.26 -5.05 113.62 118.42 2wqg n SER 2 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2wqg n SER 2 Cb 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 -3.48 0.30 -3.77 -0.43 0.00 -1.26 -5.05 120.51 106.82 2wqg n ALA 3 Ca -0.29 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 2wqg n ALA 3 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.49 -0.93 0.14 0.00 2.03 -1.26 -4.83 116.55 111.22 2wqg n ASP 4 Ca 0.00 -0.87 0.05 0.00 0.52 0.00 0.00 54.79 54.49 2wqg n ASP 4 Cb 0.00 -3.79 0.51 0.00 -0.72 0.00 0.00 41.12 37.13 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 -1.86 0.24 -0.47 -0.67 0.05 -1.95 -1.66 116.97 110.65 2wqg h TYR 5 Ca -0.62 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.30 2wqg h TYR 5 Cb 1.36 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 39.01 2wqg h TYR 5 CO 0.47 0.19 0.61 0.66 -1.05 0.00 0.00 178.16 179.04 2wqg h SER 6 N 0.25 0.00 0.00 3.88 4.64 -1.90 0.38 113.55 120.80 2wqg h SER 6 Ca 0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 2wqg h SER 6 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2wqg h SER 6 CO -0.01 0.00 -1.94 -0.24 -0.87 0.00 0.00 176.83 173.77 2wqg n SER 7 N -3.46 0.94 -3.74 4.97 2.88 -0.65 -4.99 113.62 109.58 2wqg n SER 7 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2wqg n SER 7 Cb 0.79 1.44 0.00 0.00 -0.75 0.00 0.00 64.21 65.69 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 -2.32 0.00 -4.60 2.46 4.32 0.13 -5.04 117.00 111.95 2wqg n LEU 8 Ca -0.13 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.62 2wqg n LEU 8 Cb 0.70 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.41 2wqg n LEU 8 CO 0.36 -0.72 -0.37 0.28 -1.22 0.00 0.00 177.39 175.72 2wqg s THR 9 N -0.22 3.27 0.43 -5.08 -1.32 -1.26 -5.01 115.64 106.44 2wqg s THR 9 Ca 0.00 -1.89 0.12 0.00 -1.21 0.00 0.00 61.69 58.71 2wqg s THR 9 Cb 0.00 -2.71 0.19 0.00 -1.51 0.00 0.00 72.50 68.47 2wqg s THR 9 CO 0.00 -0.30 1.98 -0.37 -2.21 0.00 0.00 174.62 173.72 2wqg h VAL 10 N 2.19 1.14 -0.18 5.08 -1.51 -1.96 0.15 116.25 121.16 2wqg h VAL 10 Ca -0.44 -0.61 -0.12 0.00 -1.23 0.00 0.00 66.70 64.30 2wqg h VAL 10 Cb 1.24 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2wqg h VAL 10 CO 0.58 0.19 -0.34 -0.37 -1.23 0.00 0.00 177.57 176.40 2wqg h VAL 11 N 0.13 1.34 -0.09 7.19 -1.51 -1.98 -1.84 116.25 119.49 2wqg h VAL 11 Ca 0.03 -1.58 -0.19 0.00 -1.23 0.00 0.00 66.70 63.73 2wqg h VAL 11 Cb 0.29 1.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2wqg h VAL 11 CO 0.02 0.48 -0.72 1.56 -1.23 0.00 0.00 177.57 177.68 2wqg h GLN 12 N 0.19 0.45 0.53 5.19 4.20 -1.91 -0.88 115.11 122.88 2wqg h GLN 12 Ca 0.01 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 2wqg h GLN 12 Cb 0.94 0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.80 2wqg h GLN 12 CO 0.08 0.99 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.90 2wqg h LEU 13 N 0.31 -0.61 -1.02 1.46 4.07 -0.72 -0.46 115.31 118.34 2wqg h LEU 13 Ca -0.03 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.79 2wqg h LEU 13 Cb 1.30 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.18 2wqg h LEU 13 CO 0.13 -0.34 -0.47 0.07 -1.08 0.00 0.00 178.44 176.75 2wqg h LYS 14 N -0.86 0.05 0.09 1.13 2.10 -1.40 -0.31 116.57 117.38 2wqg h LYS 14 Ca -0.07 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2wqg h LYS 14 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2wqg h LYS 14 CO 0.12 0.51 -0.05 0.22 -2.00 0.00 0.00 179.45 178.26 2wqg h ASP 15 N 0.04 -0.11 0.18 7.07 3.58 -1.06 -1.32 116.42 124.80 2wqg h ASP 15 Ca -0.00 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 2wqg h ASP 15 Cb 0.84 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2wqg h ASP 15 CO 0.06 0.16 -0.26 0.17 -2.88 0.00 0.00 179.24 176.49 2wqg h LEU 16 N -0.37 0.15 0.58 2.28 -0.00 -1.04 -1.75 115.31 115.16 2wqg h LEU 16 Ca -0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 2wqg h LEU 16 Cb 0.31 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2wqg h LEU 16 CO 0.02 0.42 -0.33 -0.07 -0.00 0.00 0.00 178.44 178.48 2wqg h LEU 17 N 0.14 -0.83 -1.71 0.17 3.38 -0.69 0.41 115.31 116.18 2wqg h LEU 17 Ca 0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wqg h LEU 17 Cb 0.55 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2wqg h LEU 17 CO 0.04 -0.53 -0.14 0.00 0.09 0.00 0.00 178.44 177.90 2wqg h THR 18 N -0.86 1.10 -0.30 0.22 1.03 -1.16 -0.07 112.91 112.88 2wqg h THR 18 Ca -0.07 -0.49 -0.03 0.00 -0.01 0.00 0.00 66.41 65.82 2wqg h THR 18 Cb 0.69 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 69.01 2wqg h THR 18 CO 0.09 0.14 0.08 0.11 -0.01 0.00 0.00 175.52 175.92 2wqg h LYS 19 N 0.01 0.43 0.00 0.00 1.57 -0.44 -0.91 116.57 117.23 2wqg h LYS 19 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2wqg h LYS 19 Cb 0.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2wqg h LYS 19 CO 0.02 0.40 -0.15 0.54 -0.57 0.00 0.00 179.45 179.68 2wqg n ARG 20 N -4.37 0.23 -0.16 3.15 1.74 0.05 -4.91 116.66 112.38 2wqg n ARG 20 Ca 0.01 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2wqg n ARG 20 Cb 0.17 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2wqg n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wqg n ASN 21 N -2.11 0.00 0.00 0.55 2.85 -0.35 -4.97 115.26 111.23 2wqg n ASN 21 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 2wqg n ASN 21 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 2wqg n ASN 21 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2wqg n LEU 22 N 0.00 0.11 0.00 1.20 4.77 -1.12 -4.96 117.00 116.99 2wqg n LEU 22 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2wqg n LEU 22 Cb 0.00 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2wqg n LEU 22 CO 0.00 -0.03 0.00 -1.20 -1.33 0.00 0.00 177.39 174.83 2wqg n SER 23 N -0.58 0.00 0.00 -1.43 7.64 -1.24 -4.97 113.62 113.04 2wqg n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wqg n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.28 0.09 -0.74 0.44 0.24 -1.26 -4.42 118.33 111.39 2wqg n VAL 24 Ca 0.00 -0.24 -0.27 0.00 -2.04 0.00 0.00 64.34 61.79 2wqg n VAL 24 Cb 0.00 1.43 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.04 2.58 0.00 7.63 0.00 -1.26 -4.04 105.19 110.05 2wqg n GLY 25 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 4.11 -0.61 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.28 2wqg n GLY 26 Ca 0.40 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 0.00 -0.03 0.99 -0.00 -1.26 -4.92 117.00 111.79 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 -0.67 1.96 3.64 -1.95 2.50 116.57 121.56 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 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 2wqg h LYS 28 CO 0.00 -0.33 0.33 -2.95 -2.27 0.00 0.00 179.45 174.23 2wqg h ASN 29 N -0.51 0.43 0.34 4.20 -1.07 -1.96 0.27 115.58 117.28 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 -0.28 -0.33 0.07 0.00 0.00 177.43 176.69 2wqg h GLU 30 N 0.58 0.00 -0.07 4.14 4.39 -1.48 -1.71 114.58 120.43 2wqg h GLU 30 Ca 0.32 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.96 2wqg h GLU 30 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2wqg h GLU 30 CO -0.25 0.28 -0.21 -1.49 -1.16 0.00 0.00 179.01 176.19 2wqg h TRP 31 N 0.00 0.35 -0.48 4.33 6.55 0.74 -0.54 115.95 126.90 2wqg h TRP 31 Ca -0.00 -0.14 -0.04 0.00 0.95 0.00 0.00 58.89 59.66 2wqg h TRP 31 Cb 0.53 -0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 2wqg h TRP 31 CO 0.00 0.82 0.14 -0.24 -1.05 0.00 0.00 178.44 178.12 2wqg h VAL 32 N -0.23 1.20 0.07 1.49 3.04 -0.51 0.21 116.25 121.53 2wqg h VAL 32 Ca -0.01 -0.68 -0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2wqg h VAL 32 Cb 0.83 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2wqg h VAL 32 CO 0.04 0.25 -0.03 1.56 -1.01 0.00 0.00 177.57 178.38 2wqg h GLN 33 N 0.69 -0.09 -0.62 4.17 7.50 -1.27 0.36 115.11 125.84 2wqg h GLN 33 Ca 0.16 0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.25 2wqg h GLN 33 Cb 0.22 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 2wqg h GLN 33 CO -0.01 0.27 0.12 0.07 -1.50 0.00 0.00 178.83 177.79 2wqg h ARG 34 N -0.47 1.02 0.15 1.46 0.11 -0.89 -1.07 114.38 114.69 2wqg h ARG 34 Ca -0.01 -0.26 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 2wqg h ARG 34 Cb 0.41 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2wqg h ARG 34 CO 0.02 0.94 -0.07 -0.07 0.10 0.00 0.00 179.97 180.89 2wqg h LEU 35 N 0.93 -0.17 -1.25 0.08 3.38 -0.60 0.28 115.31 117.97 2wqg h LEU 35 Ca 0.19 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2wqg h LEU 35 Cb 0.40 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2wqg h LEU 35 CO 0.01 0.01 0.58 0.40 0.09 0.00 0.00 178.44 179.53 2wqg h ILE 36 N -0.35 0.85 -0.04 1.22 2.04 -0.82 0.40 117.51 120.81 2wqg h ILE 36 Ca -0.02 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.44 2wqg h ILE 36 Cb 0.28 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2wqg h ILE 36 CO 0.03 0.13 -0.64 0.50 0.00 0.00 0.00 178.15 178.18 2wqg h LYS 37 N 0.74 0.16 -0.19 2.37 1.63 -0.76 -0.04 116.57 120.47 2wqg h LYS 37 Ca 0.45 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 60.04 2wqg h LYS 37 Cb 0.67 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.32 2wqg h LYS 37 CO -0.21 0.74 -0.24 0.22 -3.45 0.00 0.00 179.45 176.52 2wqg h ASP 38 N 0.11 0.53 1.03 4.20 3.58 0.33 -1.00 116.42 125.22 2wqg h ASP 38 Ca -0.01 -0.50 -0.11 0.00 0.42 0.00 0.00 57.03 56.83 2wqg h ASP 38 Cb 1.15 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2wqg h ASP 38 CO 0.09 0.93 -0.52 0.44 -2.88 0.00 0.00 179.24 177.30 2wqg h ASP 39 N 0.15 0.00 1.72 2.28 3.45 -0.57 -3.10 116.42 120.34 2wqg h ASP 39 Ca 0.02 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 2wqg h ASP 39 Cb 0.80 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.56 2wqg h ASP 39 CO 0.06 0.52 -0.28 -0.33 -1.57 0.00 0.00 179.24 177.64 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 5.08 -0.95 -3.23 114.58 119.04 2wqg h GLU 40 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wqg h GLU 40 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2wqg h GLU 40 CO 0.07 0.18 0.15 0.93 -1.00 0.00 0.00 179.01 179.34 2wqg h GLU 41 N 0.00 0.00 -1.77 2.33 4.39 -1.10 -3.21 114.58 115.23 2wqg h GLU 41 Ca -0.01 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.27 2wqg h GLU 41 Cb 1.15 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.50 2wqg h GLU 41 CO 0.02 0.00 -0.81 0.43 -1.16 0.00 0.00 179.01 177.49 2wqg n SER 42 N -2.61 -1.52 -1.72 1.42 7.64 -1.22 -5.00 113.62 110.62 2wqg n SER 42 Ca -0.02 -2.62 -0.05 0.00 1.01 0.00 0.00 58.87 57.18 2wqg n SER 42 Cb 0.20 0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wqg n LYS 43 N 2.68 1.43 0.00 1.43 4.81 -1.21 -4.77 118.16 122.53 2wqg n LYS 43 Ca 0.24 -0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 2wqg n LYS 43 Cb 0.52 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.14 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 1.88 1.97 1.46 3.14 0.00 -1.26 -5.10 105.19 107.27 2wqg n GLY 44 Ca 0.18 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 0.00 -1.20 1.61 1.02 -1.26 -4.90 120.64 115.91 2wqg n GLU 45 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 2wqg n GLU 45 Cb 0.00 -0.08 0.14 0.00 -0.02 0.00 0.00 31.44 31.48 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 -2.23 5.03 -0.01 1.62 7.64 -1.26 -4.43 113.62 119.98 2wqg n SER 46 Ca 0.00 -3.58 -0.04 0.00 1.01 0.00 0.00 58.87 56.26 2wqg n SER 46 Cb 0.00 -0.88 -0.01 0.00 -1.01 0.00 0.00 64.21 62.31 2wqg n SER 46 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wqg n GLU 47 N -0.96 0.22 -4.08 1.43 -0.58 -1.26 -5.00 120.64 110.41 2wqg n GLU 47 Ca 0.57 0.09 -0.32 0.00 -0.42 0.00 0.00 57.16 57.08 2wqg n GLU 47 Cb 1.28 -0.88 -0.16 0.00 -0.57 0.00 0.00 31.44 31.11 2wqg n GLU 47 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wqg s VAL 48 N -2.38 2.02 -0.14 2.62 0.11 -1.26 -5.10 120.40 116.27 2wqg s VAL 48 Ca -0.12 -1.17 -0.24 0.00 -2.93 0.00 0.00 61.98 57.52 2wqg s VAL 48 Cb 0.02 -1.97 0.06 0.00 -1.53 0.00 0.00 36.38 32.96 2wqg s VAL 48 CO 0.18 0.29 0.59 -0.44 -3.33 0.00 0.00 175.10 172.39 2wqg s SER 49 N 1.25 -0.58 0.47 3.54 0.01 -1.26 -4.93 113.70 112.20 2wqg s SER 49 Ca -0.01 0.88 0.21 0.00 1.31 0.00 0.00 55.95 58.35 2wqg s SER 49 Cb -0.16 0.86 1.22 0.00 0.21 0.00 0.00 66.02 68.15 2wqg s SER 49 CO -0.10 -0.38 1.91 -0.65 0.41 0.00 0.00 173.24 174.43 2wqg h PRO 50 N 4.24 0.24 -0.03 12.44 0.11 -1.99 -3.54 132.00 143.47 2wqg h PRO 50 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wqg h PRO 50 Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wqg h PRO 50 CO 0.25 0.16 0.00 1.04 -0.21 0.00 0.00 178.00 179.24