#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqg h SER 2 N 0.00 0.00 -2.89 1.61 0.87 -2.01 -3.46 113.55 107.66 2wqg h SER 2 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 2wqg h SER 2 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2wqg h SER 2 CO 0.00 1.00 -0.46 0.00 -0.53 0.00 0.00 176.83 176.84 2wqg s ALA 3 N -2.65 3.95 -0.23 6.23 0.00 -1.26 -5.01 121.76 122.79 2wqg s ALA 3 Ca -0.02 -0.74 0.20 0.00 0.00 0.00 0.00 51.96 51.39 2wqg s ALA 3 Cb 0.09 -1.91 0.45 0.00 0.00 0.00 0.00 23.12 21.74 2wqg s ALA 3 CO 0.82 0.76 1.22 -3.47 0.00 0.00 0.00 175.76 175.08 2wqg n ASP 4 N 0.65 0.63 0.16 0.00 2.03 -1.26 -4.91 116.55 113.85 2wqg n ASP 4 Ca -0.08 -2.06 0.18 0.00 0.52 0.00 0.00 54.79 53.35 2wqg n ASP 4 Cb 0.52 -0.13 0.79 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 1.86 0.00 -0.41 -0.67 -1.99 -1.95 -0.57 116.97 113.24 2wqg h TYR 5 Ca -0.25 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.60 2wqg h TYR 5 Cb 1.37 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.09 2wqg h TYR 5 CO 0.28 0.00 0.54 0.66 -0.00 0.00 0.00 178.16 179.64 2wqg h SER 6 N 0.00 0.00 0.04 3.88 4.64 -1.91 0.39 113.55 120.60 2wqg h SER 6 Ca 0.13 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.25 2wqg h SER 6 Cb 0.75 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 2wqg h SER 6 CO -0.00 0.00 -2.17 -0.24 -0.87 0.00 0.00 176.83 173.55 2wqg n SER 7 N -3.48 0.05 -3.28 4.97 2.88 -0.22 -4.97 113.62 109.56 2wqg n SER 7 Ca 0.08 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2wqg n SER 7 Cb 0.71 1.37 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 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 -2.55 0.00 -4.63 2.46 4.32 0.14 -5.03 117.00 111.72 2wqg n LEU 8 Ca -0.19 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.53 2wqg n LEU 8 Cb 0.89 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.61 2wqg n LEU 8 CO 0.44 -1.06 -0.36 0.28 -1.22 0.00 0.00 177.39 175.47 2wqg s THR 9 N -0.52 3.48 0.49 -5.08 -1.32 -1.26 -5.00 115.64 106.43 2wqg s THR 9 Ca 0.00 -1.57 0.14 0.00 -1.21 0.00 0.00 61.69 59.05 2wqg s THR 9 Cb 0.00 -2.76 0.28 0.00 -1.51 0.00 0.00 72.50 68.51 2wqg s THR 9 CO 0.00 -0.14 2.11 -0.37 -2.21 0.00 0.00 174.62 174.01 2wqg h VAL 10 N 2.51 1.01 -0.18 5.08 -1.51 -1.95 0.25 116.25 121.45 2wqg h VAL 10 Ca -0.47 -0.06 -0.12 0.00 -1.23 0.00 0.00 66.70 64.82 2wqg h VAL 10 Cb 1.21 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2wqg h VAL 10 CO 0.57 0.03 -0.37 -0.37 -1.23 0.00 0.00 177.57 176.20 2wqg h VAL 11 N 0.17 1.34 -0.14 7.19 -1.51 -1.98 -1.89 116.25 119.42 2wqg h VAL 11 Ca 0.06 -1.61 -0.21 0.00 -1.23 0.00 0.00 66.70 63.71 2wqg h VAL 11 Cb 0.05 1.91 0.01 0.00 -2.13 0.00 0.00 31.29 31.12 2wqg h VAL 11 CO -0.01 0.49 -0.76 1.56 -1.23 0.00 0.00 177.57 177.62 2wqg h GLN 12 N 0.23 0.71 0.39 5.19 4.20 -1.84 -0.81 115.11 123.18 2wqg h GLN 12 Ca 0.01 -0.57 -0.02 0.00 0.06 0.00 0.00 58.65 58.12 2wqg h GLN 12 Cb 0.97 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2wqg h GLN 12 CO 0.08 1.19 -0.19 -0.07 -0.67 0.00 0.00 178.83 179.17 2wqg h LEU 13 N 0.48 -0.44 -0.89 1.46 4.07 -0.55 -0.24 115.31 119.20 2wqg h LEU 13 Ca -0.05 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 2wqg h LEU 13 Cb 1.38 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 43.22 2wqg h LEU 13 CO 0.15 -0.27 -0.53 0.07 -1.08 0.00 0.00 178.44 176.78 2wqg h LYS 14 N -0.57 0.06 0.11 1.13 2.10 -1.41 -0.10 116.57 117.88 2wqg h LYS 14 Ca -0.05 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 2wqg h LYS 14 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2wqg h LYS 14 CO 0.09 0.58 -0.05 0.22 -2.00 0.00 0.00 179.45 178.29 2wqg h ASP 15 N 0.05 -0.12 0.17 7.07 3.58 -0.98 -1.43 116.42 124.76 2wqg h ASP 15 Ca -0.00 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.15 2wqg h ASP 15 Cb 0.95 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2wqg h ASP 15 CO 0.07 0.15 -0.28 0.17 -2.88 0.00 0.00 179.24 176.48 2wqg h LEU 16 N -0.40 0.18 0.42 2.28 -0.00 -1.03 -1.81 115.31 114.95 2wqg h LEU 16 Ca -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2wqg h LEU 16 Cb 0.33 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2wqg h LEU 16 CO 0.02 0.47 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.17 -0.95 -1.71 0.17 3.38 -0.67 0.27 115.31 115.97 2wqg h LEU 17 Ca 0.03 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2wqg h LEU 17 Cb 0.59 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2wqg h LEU 17 CO 0.04 -0.51 -0.12 0.00 0.09 0.00 0.00 178.44 177.94 2wqg h THR 18 N -0.78 1.10 -0.50 0.22 1.03 -1.18 -0.22 112.91 112.58 2wqg h THR 18 Ca -0.04 -0.47 0.02 0.00 -0.01 0.00 0.00 66.41 65.91 2wqg h THR 18 Cb 0.68 1.22 -0.03 0.00 -1.07 0.00 0.00 68.15 68.96 2wqg h THR 18 CO -0.03 0.14 0.33 0.50 -0.01 0.00 0.00 175.52 176.46 2wqg h LYS 19 N 0.03 0.60 0.00 0.00 3.64 -0.30 -0.00 116.57 120.54 2wqg h LYS 19 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wqg h LYS 19 Cb 0.24 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2wqg h LYS 19 CO 0.02 0.40 -0.27 0.54 -2.27 0.00 0.00 179.45 177.87 2wqg n ARG 20 N -4.47 0.19 -0.29 1.90 1.74 -0.05 -4.92 116.66 110.76 2wqg n ARG 20 Ca 0.05 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2wqg n ARG 20 Cb 0.10 -1.67 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 0.09 -1.52 0.00 0.00 177.63 176.20 2wqg n ASN 21 N -1.98 0.00 0.00 0.55 3.02 -0.02 -4.97 115.26 111.87 2wqg n ASN 21 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2wqg n ASN 21 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.03 0.00 3.41 4.77 -1.14 -4.96 117.00 119.11 2wqg n LEU 22 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2wqg n LEU 22 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2wqg n LEU 22 CO 0.00 -0.09 0.00 -1.20 -1.33 0.00 0.00 177.39 174.77 2wqg n SER 23 N -0.76 0.00 0.00 -1.43 7.64 -1.25 -4.97 113.62 112.84 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 -1.50 0.02 -0.74 0.44 0.24 -1.26 -4.45 118.33 111.09 2wqg n VAL 24 Ca 0.00 -0.17 -0.23 0.00 -2.04 0.00 0.00 64.34 61.90 2wqg n VAL 24 Cb 0.00 1.62 -0.02 0.00 -1.47 0.00 0.00 33.84 33.97 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 2.96 0.00 7.63 0.00 -1.26 -4.01 105.19 110.50 2wqg n GLY 25 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 3.87 -0.56 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.07 2wqg n GLY 26 Ca 0.42 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.23 0.00 0.04 0.99 -0.00 -1.26 -4.95 117.00 111.59 2wqg n LEU 27 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 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 0.55 0.50 -0.00 0.00 0.00 177.39 178.44 2wqg h LYS 28 N 0.00 -0.56 -0.63 1.96 3.64 -1.95 2.85 116.57 121.87 2wqg h LYS 28 Ca 0.00 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2wqg h LYS 28 Cb 0.00 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 2wqg h LYS 28 CO 0.00 -0.38 0.26 -2.95 -2.27 0.00 0.00 179.45 174.11 2wqg h ASN 29 N -0.59 0.27 0.61 4.20 -1.07 -1.96 0.36 115.58 117.40 2wqg h ASN 29 Ca 0.04 0.08 -0.09 0.00 0.07 0.00 0.00 56.30 56.40 2wqg h ASN 29 Cb 0.67 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.96 2wqg h ASN 29 CO -0.37 0.16 -0.44 1.05 0.07 0.00 0.00 177.43 177.90 2wqg h GLU 30 N 0.45 0.00 -0.05 4.14 -0.00 -1.69 -1.71 114.58 115.71 2wqg h GLU 30 Ca 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.67 2wqg h GLU 30 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.14 2wqg h GLU 30 CO -0.30 0.44 -0.02 -1.49 -0.00 0.00 0.00 179.01 177.64 2wqg h TRP 31 N 0.00 0.12 -0.51 2.06 6.55 0.86 0.21 115.95 125.25 2wqg h TRP 31 Ca -0.00 -0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.78 2wqg h TRP 31 Cb 0.86 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 29.11 2wqg h TRP 31 CO 0.00 0.45 0.21 -0.24 -1.05 0.00 0.00 178.44 177.81 2wqg h VAL 32 N -0.25 1.18 0.07 1.49 3.04 -0.39 0.33 116.25 121.73 2wqg h VAL 32 Ca 0.01 -0.56 -0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2wqg h VAL 32 Cb 0.42 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2wqg h VAL 32 CO 0.01 0.22 -0.03 1.56 -1.01 0.00 0.00 177.57 178.32 2wqg h GLN 33 N 0.72 -0.09 -0.66 4.17 1.08 -1.09 0.17 115.11 119.42 2wqg h GLN 33 Ca 0.17 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 2wqg h GLN 33 Cb 0.13 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2wqg h GLN 33 CO -0.02 0.23 0.12 0.07 -0.95 0.00 0.00 178.83 178.28 2wqg h ARG 34 N -0.41 1.07 0.14 1.46 0.11 -0.28 -1.08 114.38 115.39 2wqg h ARG 34 Ca -0.01 -0.28 -0.01 0.00 0.10 0.00 0.00 59.98 59.79 2wqg h ARG 34 Cb 0.36 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2wqg h ARG 34 CO 0.02 0.98 -0.07 -0.07 0.10 0.00 0.00 179.97 180.93 2wqg h LEU 35 N 1.01 -0.16 -1.31 0.08 3.38 -0.30 0.25 115.31 118.27 2wqg h LEU 35 Ca 0.20 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.12 2wqg h LEU 35 Cb 0.42 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2wqg h LEU 35 CO 0.01 0.09 0.55 0.40 0.09 0.00 0.00 178.44 179.58 2wqg h ILE 36 N -0.40 0.88 -0.04 1.22 2.04 -0.54 0.42 117.51 121.09 2wqg h ILE 36 Ca -0.02 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 2wqg h ILE 36 Cb 0.32 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2wqg h ILE 36 CO 0.03 0.13 -0.63 0.50 0.00 0.00 0.00 178.15 178.18 2wqg h LYS 37 N 0.71 0.16 -0.12 2.37 3.64 -0.86 -0.36 116.57 122.11 2wqg h LYS 37 Ca 0.41 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2wqg h LYS 37 Cb 0.60 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2wqg h LYS 37 CO -0.18 0.74 -0.03 0.22 -2.27 0.00 0.00 179.45 177.92 2wqg h ASP 38 N 0.11 0.24 0.70 4.20 3.58 0.32 -1.62 116.42 123.96 2wqg h ASP 38 Ca -0.01 -0.38 -0.11 0.00 0.42 0.00 0.00 57.03 56.95 2wqg h ASP 38 Cb 1.14 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 2wqg h ASP 38 CO 0.09 0.56 -0.52 0.44 -2.88 0.00 0.00 179.24 176.93 2wqg h ASP 39 N -0.08 0.00 1.38 2.28 3.45 -0.71 -2.87 116.42 119.87 2wqg h ASP 39 Ca 0.03 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 2wqg h ASP 39 Cb 0.46 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.23 2wqg h ASP 39 CO 0.01 0.52 -0.13 -0.33 -1.57 0.00 0.00 179.24 177.75 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 5.08 -0.96 -3.14 114.58 119.12 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 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2wqg h GLU 40 CO 0.07 0.13 0.28 0.93 -1.00 0.00 0.00 179.01 179.41 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 4.39 -1.06 0.42 114.58 120.66 2wqg h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wqg h GLU 41 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2wqg h GLU 41 CO 0.02 0.00 -1.18 0.43 -1.16 0.00 0.00 179.01 177.12 2wqg n SER 42 N -2.57 0.92 -2.39 1.42 7.64 -1.18 -4.09 113.62 113.36 2wqg n SER 42 Ca -0.02 -0.53 -0.12 0.00 1.01 0.00 0.00 58.87 59.21 2wqg n SER 42 Cb 0.32 1.31 -0.01 0.00 -1.01 0.00 0.00 64.21 64.82 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 -1.67 -2.20 -2.36 1.43 4.81 0.15 -0.06 118.16 118.26 2wqg n LYS 43 Ca 0.01 0.59 -0.14 0.00 -0.87 0.00 0.00 58.31 57.89 2wqg n LYS 43 Cb 0.33 -5.17 -0.00 0.00 0.02 0.00 0.00 35.03 30.21 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 -0.77 -0.21 1.77 3.14 0.00 -1.26 -4.85 105.19 103.01 2wqg n GLY 44 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.48 0.00 -3.62 1.61 0.00 0.91 -5.15 120.64 111.92 2wqg n GLU 45 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.92 2wqg n GLU 45 Cb 0.62 -0.08 -0.06 0.00 0.00 0.00 0.00 31.44 31.92 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2wqg s SER 46 N -4.89 -0.39 1.20 4.31 1.04 -0.84 -5.10 113.70 109.03 2wqg s SER 46 Ca 0.00 0.66 -0.13 0.00 0.48 0.00 0.00 55.95 56.96 2wqg s SER 46 Cb 0.00 0.64 0.30 0.00 0.10 0.00 0.00 66.02 67.06 2wqg s SER 46 CO 0.00 -0.19 1.01 -1.61 0.98 0.00 0.00 173.24 173.43 2wqg s GLU 47 N -0.19 -1.20 0.44 4.02 2.02 -1.26 -4.29 118.70 118.23 2wqg s GLU 47 Ca 0.02 0.77 0.03 0.00 0.02 0.00 0.00 54.97 55.82 2wqg s GLU 47 Cb -0.04 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 2wqg s GLU 47 CO -0.05 -3.90 0.12 0.14 0.02 0.00 0.00 175.26 171.60 2wqg s VAL 48 N -2.43 0.62 0.11 2.63 -7.23 -1.26 -4.94 120.40 107.90 2wqg s VAL 48 Ca 0.69 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.96 2wqg s VAL 48 Cb -0.25 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2wqg s VAL 48 CO 0.65 0.00 -0.24 -0.44 -0.31 0.00 0.00 175.10 174.76 2wqg s SER 49 N -3.67 3.46 -1.08 4.85 0.01 -1.26 -5.03 113.70 110.98 2wqg s SER 49 Ca 0.19 -0.67 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 2wqg s SER 49 Cb 0.01 -0.32 -0.07 0.00 0.21 0.00 0.00 66.02 65.86 2wqg s SER 49 CO 0.13 0.19 2.28 -0.81 0.41 0.00 0.00 173.24 175.44 2wqg n PRO 50 N 1.00 2.42 0.00 12.44 -0.04 -1.26 -5.29 135.00 144.27 2wqg n PRO 50 Ca -0.17 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 2wqg n PRO 50 Cb 0.53 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2wqg n PRO 50 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40