#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 0.60 -4.87 1.61 7.64 -1.26 -4.99 113.62 112.35 2wqg n SER 2 Ca 0.00 0.23 -0.33 0.00 1.01 0.00 0.00 58.87 59.78 2wqg n SER 2 Cb 0.00 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 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 -2.94 3.65 -0.20 -0.43 0.00 -1.26 -5.00 121.76 115.57 2wqg s ALA 3 Ca -0.07 -0.33 0.21 0.00 0.00 0.00 0.00 51.96 51.77 2wqg s ALA 3 Cb 0.01 -2.35 0.45 0.00 0.00 0.00 0.00 23.12 21.22 2wqg s ALA 3 CO 0.11 0.54 1.18 -0.25 0.00 0.00 0.00 175.76 177.34 2wqg n ASP 4 N 0.28 0.83 -0.04 0.00 9.92 -1.26 -4.91 116.55 121.37 2wqg n ASP 4 Ca -0.03 -2.05 0.24 0.00 -0.53 0.00 0.00 54.79 52.43 2wqg n ASP 4 Cb 0.52 -0.22 0.72 0.00 -0.64 0.00 0.00 41.12 41.50 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2wqg h TYR 5 N 1.88 0.00 -0.40 1.24 -1.99 -1.94 0.16 116.97 115.91 2wqg h TYR 5 Ca -0.23 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.61 2wqg h TYR 5 Cb 1.41 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.13 2wqg h TYR 5 CO 0.31 0.00 0.48 1.03 -0.00 0.00 0.00 178.16 179.98 2wqg h SER 6 N 0.00 0.00 0.29 3.88 0.87 -1.91 0.40 113.55 117.08 2wqg h SER 6 Ca 0.31 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.62 2wqg h SER 6 Cb 1.48 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.39 2wqg h SER 6 CO -0.00 0.00 -1.94 -0.24 -0.53 0.00 0.00 176.83 174.12 2wqg n SER 7 N -3.59 0.42 -3.51 6.23 2.88 0.55 -4.95 113.62 111.65 2wqg n SER 7 Ca 0.07 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2wqg n SER 7 Cb 0.65 0.67 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 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 -2.79 0.00 -4.60 2.46 4.32 0.14 -5.04 117.00 111.49 2wqg n LEU 8 Ca -0.20 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.55 2wqg n LEU 8 Cb 0.98 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.70 2wqg n LEU 8 CO 0.44 -0.88 -0.36 0.28 -1.22 0.00 0.00 177.39 175.65 2wqg s THR 9 N -0.36 3.25 0.41 -5.08 -1.32 -1.26 -5.02 115.64 106.26 2wqg s THR 9 Ca 0.00 -1.95 0.10 0.00 -1.21 0.00 0.00 61.69 58.63 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 -0.33 1.97 -0.37 -2.21 0.00 0.00 174.62 173.67 2wqg h VAL 10 N 2.09 1.14 -0.25 5.08 -1.51 -1.96 0.43 116.25 121.27 2wqg h VAL 10 Ca -0.44 -0.59 -0.08 0.00 -1.23 0.00 0.00 66.70 64.36 2wqg h VAL 10 Cb 1.24 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 2wqg h VAL 10 CO 0.59 0.19 -0.16 -0.37 -1.23 0.00 0.00 177.57 176.60 2wqg h VAL 11 N 0.26 1.30 -0.14 7.19 -1.51 -1.99 -1.96 116.25 119.41 2wqg h VAL 11 Ca 0.06 -1.27 -0.19 0.00 -1.23 0.00 0.00 66.70 64.07 2wqg h VAL 11 Cb 0.25 1.58 0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2wqg h VAL 11 CO 0.01 0.40 -0.65 1.56 -1.23 0.00 0.00 177.57 177.65 2wqg h GLN 12 N 0.28 0.68 0.24 5.19 7.50 -1.92 -0.94 115.11 126.14 2wqg h GLN 12 Ca 0.05 -0.55 0.01 0.00 0.50 0.00 0.00 58.65 58.66 2wqg h GLN 12 Cb 0.68 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.30 2wqg h GLN 12 CO 0.04 1.17 -0.30 -0.07 -1.50 0.00 0.00 178.83 178.17 2wqg h LEU 13 N 0.36 -0.82 -0.75 1.46 4.07 -0.93 0.21 115.31 118.90 2wqg h LEU 13 Ca -0.04 0.08 -0.13 0.00 0.08 0.00 0.00 57.88 57.87 2wqg h LEU 13 Cb 1.29 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 43.31 2wqg h LEU 13 CO 0.14 -0.41 -0.52 0.07 -1.08 0.00 0.00 178.44 176.63 2wqg h LYS 14 N -0.59 0.27 0.06 1.13 2.10 -1.43 -0.27 116.57 117.84 2wqg h LYS 14 Ca 0.00 -0.16 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2wqg h LYS 14 Cb 0.57 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2wqg h LYS 14 CO -0.10 0.73 -0.03 0.22 -2.00 0.00 0.00 179.45 178.27 2wqg h ASP 15 N 0.22 -0.07 0.23 7.07 1.82 -0.82 -1.25 116.42 123.60 2wqg h ASP 15 Ca 0.01 -0.13 -0.08 0.00 -0.39 0.00 0.00 57.03 56.44 2wqg h ASP 15 Cb 0.99 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 2wqg h ASP 15 CO 0.08 0.08 -0.31 0.17 -1.61 0.00 0.00 179.24 177.66 2wqg h LEU 16 N -0.23 0.14 0.53 2.28 -0.00 -0.58 -1.93 115.31 115.52 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 0.20 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 2wqg h LEU 16 CO 0.01 0.45 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.52 2wqg h LEU 17 N 0.12 -0.77 -1.34 0.17 3.38 -0.52 0.63 115.31 116.99 2wqg h LEU 17 Ca 0.02 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2wqg h LEU 17 Cb 0.62 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2wqg h LEU 17 CO 0.04 -0.50 -0.14 0.00 0.09 0.00 0.00 178.44 177.94 2wqg h THR 18 N -0.79 1.19 0.00 0.22 1.03 -1.19 -0.59 112.91 112.78 2wqg h THR 18 Ca -0.06 -0.84 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 68.94 2wqg h THR 18 CO 0.08 0.26 0.00 0.11 -0.01 0.00 0.00 175.52 175.96 2wqg h LYS 19 N 0.26 0.00 0.00 0.00 6.56 -0.84 -2.96 116.57 119.59 2wqg h LYS 19 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2wqg h LYS 19 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2wqg h LYS 19 CO 0.02 0.00 -0.52 -2.13 -2.06 0.00 0.00 179.45 174.77 2wqg n ARG 20 N -2.45 0.22 0.00 3.15 0.63 0.22 -4.94 116.66 113.49 2wqg n ARG 20 Ca 0.03 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2wqg n ARG 20 Cb 0.35 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.61 2wqg n ARG 20 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wqg n ASN 21 N -1.98 0.00 0.00 6.15 2.85 -1.09 -5.03 115.26 116.16 2wqg n ASN 21 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 2wqg n ASN 21 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 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 0.00 0.00 1.20 4.77 -1.10 -5.00 117.00 116.87 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 0.41 -1.20 -1.33 0.00 0.00 177.39 175.27 2wqg n SER 23 N 0.00 -1.14 0.00 -1.43 7.64 -1.25 -4.72 113.62 112.71 2wqg n SER 23 Ca 0.00 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.20 2wqg n SER 23 Cb 0.00 1.88 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 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 0.06 -0.73 0.44 0.24 -1.26 -4.49 118.33 112.20 2wqg n VAL 24 Ca -0.03 -0.32 -0.25 0.00 -2.04 0.00 0.00 64.34 61.70 2wqg n VAL 24 Cb 0.34 1.35 -0.03 0.00 -1.47 0.00 0.00 33.84 34.04 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 -0.03 2.71 0.00 7.63 0.00 -1.26 -4.04 105.19 110.20 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 4.02 -0.56 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.23 2wqg n GLY 26 Ca 0.40 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.05 0.00 -0.02 0.99 -0.00 -1.26 -4.92 117.00 111.74 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 0.54 0.50 -0.00 0.00 0.00 177.39 178.43 2wqg h LYS 28 N 0.00 -0.51 -0.66 1.96 3.64 -1.95 2.49 116.57 121.54 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 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 2wqg h LYS 28 CO 0.00 -0.34 0.33 -2.95 -2.27 0.00 0.00 179.45 174.22 2wqg h ASN 29 N -0.53 0.44 0.32 4.20 7.08 -1.96 0.25 115.58 125.38 2wqg h ASN 29 Ca 0.06 0.05 -0.06 0.00 -3.08 0.00 0.00 56.30 53.27 2wqg h ASN 29 Cb 0.66 -0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 36.86 2wqg h ASN 29 CO -0.44 0.27 -0.27 -0.33 -2.08 0.00 0.00 177.43 174.58 2wqg h GLU 30 N 0.59 0.00 -0.03 4.14 5.08 -1.50 -1.68 114.58 121.17 2wqg h GLU 30 Ca 0.31 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2wqg h GLU 30 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2wqg h GLU 30 CO -0.24 0.27 -0.07 -1.49 -1.00 0.00 0.00 179.01 176.49 2wqg h TRP 31 N 0.00 0.13 -0.50 4.33 6.55 0.73 -0.56 115.95 126.64 2wqg h TRP 31 Ca -0.00 -0.05 -0.02 0.00 0.95 0.00 0.00 58.89 59.77 2wqg h TRP 31 Cb 0.51 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.76 2wqg h TRP 31 CO 0.00 0.65 0.22 -0.24 -1.05 0.00 0.00 178.44 178.02 2wqg h VAL 32 N -0.43 1.18 0.07 1.49 3.04 -0.64 0.22 116.25 121.19 2wqg h VAL 32 Ca 0.00 -0.52 -0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2wqg h VAL 32 Cb 0.64 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2wqg h VAL 32 CO 0.01 0.21 -0.04 1.56 -1.01 0.00 0.00 177.57 178.31 2wqg h GLN 33 N 0.70 -0.10 -0.64 4.17 1.08 -1.26 0.84 115.11 119.91 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 0.10 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 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 -0.43 1.05 0.14 1.46 0.11 -0.81 -1.11 114.38 114.79 2wqg h ARG 34 Ca -0.01 -0.27 -0.01 0.00 0.10 0.00 0.00 59.98 59.79 2wqg h ARG 34 Cb 0.37 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2wqg h ARG 34 CO 0.02 0.97 -0.07 -0.07 0.10 0.00 0.00 179.97 180.92 2wqg h LEU 35 N 0.97 -0.16 -1.28 0.08 3.38 -0.55 0.20 115.31 117.95 2wqg h LEU 35 Ca 0.20 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.14 2wqg h LEU 35 Cb 0.41 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2wqg h LEU 35 CO 0.01 0.05 0.56 0.40 0.09 0.00 0.00 178.44 179.56 2wqg h ILE 36 N -0.37 0.88 -0.04 1.22 2.04 -0.74 0.39 117.51 120.89 2wqg h ILE 36 Ca -0.02 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 2wqg h ILE 36 Cb 0.30 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2wqg h ILE 36 CO 0.03 0.14 -0.62 0.50 0.00 0.00 0.00 178.15 178.19 2wqg h LYS 37 N 0.74 0.14 -0.15 2.37 3.11 -0.85 -0.48 116.57 121.44 2wqg h LYS 37 Ca 0.42 -0.10 -0.07 0.00 -2.81 0.00 0.00 60.65 58.10 2wqg h LYS 37 Cb 0.60 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.84 2wqg h LYS 37 CO -0.19 0.72 -0.17 0.22 -2.81 0.00 0.00 179.45 177.22 2wqg h ASP 38 N 0.10 0.41 0.62 4.20 3.58 0.28 -1.56 116.42 124.06 2wqg h ASP 38 Ca -0.01 -0.49 -0.12 0.00 0.42 0.00 0.00 57.03 56.83 2wqg h ASP 38 Cb 1.12 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 2wqg h ASP 38 CO 0.09 0.82 -0.56 -0.78 -2.88 0.00 0.00 179.24 175.93 2wqg h ASP 39 N 0.02 0.00 1.55 2.28 -0.00 -0.56 -2.87 116.42 116.84 2wqg h ASP 39 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.02 2wqg h ASP 39 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.04 2wqg h ASP 39 CO 0.04 0.56 -0.14 -0.33 -0.00 0.00 0.00 179.24 179.36 2wqg h GLU 40 N 0.00 0.00 0.00 0.28 5.08 -1.03 -3.17 114.58 115.74 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 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2wqg h GLU 40 CO 0.07 0.14 0.25 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 5.08 -1.04 0.17 114.58 121.12 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 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2wqg h GLU 41 CO 0.02 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.46 2wqg n SER 42 N -2.59 0.33 -2.37 1.42 7.64 -1.20 -4.76 113.62 112.09 2wqg n SER 42 Ca -0.02 -0.66 -0.15 0.00 1.01 0.00 0.00 58.87 59.05 2wqg n SER 42 Cb 0.29 0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 64.13 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 -0.65 -2.04 -2.01 1.43 4.81 0.05 -0.28 118.16 119.46 2wqg n LYS 43 Ca 0.00 0.72 -0.09 0.00 -0.87 0.00 0.00 58.31 58.07 2wqg n LYS 43 Cb 0.00 -5.31 -0.01 0.00 0.02 0.00 0.00 35.03 29.73 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 -0.83 0.19 1.99 3.14 0.00 -1.25 -5.01 105.19 103.41 2wqg n GLY 44 Ca -0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.98 0.36 -2.94 1.61 1.02 0.61 -5.11 120.64 114.21 2wqg n GLU 45 Ca -0.10 -2.06 -0.43 0.00 -0.02 0.00 0.00 57.16 54.55 2wqg n GLU 45 Cb 0.53 1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 33.45 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wqg s SER 46 N -2.45 6.37 0.00 1.62 1.04 -1.26 -4.71 113.70 114.31 2wqg s SER 46 Ca 0.22 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2wqg s SER 46 Cb 0.01 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2wqg s SER 46 CO 0.15 -1.02 0.00 1.21 0.98 0.00 0.00 173.24 174.57 2wqg n GLU 47 N 6.91 0.00 -4.02 4.02 0.00 -1.26 -5.10 120.64 121.19 2wqg n GLU 47 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.81 2wqg n GLU 47 Cb 0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 31.44 31.83 2wqg n GLU 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2wqg s VAL 48 N -1.96 5.17 -0.16 6.31 1.01 -1.26 -5.10 120.40 124.40 2wqg s VAL 48 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2wqg s VAL 48 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2wqg s VAL 48 CO 0.00 0.61 -0.16 -0.55 0.00 0.00 0.00 175.10 175.00 2wqg s SER 49 N -0.94 2.86 0.62 3.32 0.15 -1.26 -5.00 113.70 113.44 2wqg s SER 49 Ca 0.14 -0.55 0.28 0.00 0.70 0.00 0.00 55.95 56.52 2wqg s SER 49 Cb -0.12 -1.29 1.47 0.00 -1.71 0.00 0.00 66.02 64.38 2wqg s SER 49 CO 0.03 -0.04 1.87 -0.65 1.20 0.00 0.00 173.24 175.65 2wqg h PRO 50 N 8.01 0.00 -0.03 5.44 0.11 -2.03 -3.57 132.00 139.93 2wqg h PRO 50 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2wqg h PRO 50 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wqg h PRO 50 CO 0.57 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.30