#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 0.40 -3.52 1.61 3.41 -1.26 -5.14 113.62 109.11 2wqg n SER 2 Ca 0.00 0.10 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 2wqg n SER 2 Cb 0.00 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wqg s ALA 3 N -2.00 -1.80 -0.16 7.33 0.00 -1.26 -5.02 121.76 118.84 2wqg s ALA 3 Ca 0.00 1.28 0.13 0.00 0.00 0.00 0.00 51.96 53.36 2wqg s ALA 3 Cb 0.00 -0.06 0.30 0.00 0.00 0.00 0.00 23.12 23.36 2wqg s ALA 3 CO 0.00 -0.42 1.24 -3.47 0.00 0.00 0.00 175.76 173.11 2wqg n ASP 4 N 0.63 -0.41 0.08 0.00 2.03 -1.26 -4.94 116.55 112.69 2wqg n ASP 4 Ca -0.16 -2.08 0.20 0.00 0.52 0.00 0.00 54.79 53.28 2wqg n ASP 4 Cb 0.58 0.21 0.74 0.00 -0.72 0.00 0.00 41.12 41.94 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 0.96 0.00 -0.37 -0.67 0.05 -1.96 -0.21 116.97 114.77 2wqg h TYR 5 Ca -0.40 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.49 2wqg h TYR 5 Cb 1.42 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.15 2wqg h TYR 5 CO 0.03 0.00 0.53 1.03 -1.05 0.00 0.00 178.16 178.70 2wqg h SER 6 N 0.00 0.00 0.00 3.88 0.87 -1.92 0.36 113.55 116.74 2wqg h SER 6 Ca 0.20 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.56 2wqg h SER 6 Cb 1.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 2wqg h SER 6 CO -0.00 0.00 -2.18 -1.20 -0.53 0.00 0.00 176.83 172.92 2wqg n SER 7 N -3.41 0.12 -3.26 6.23 7.64 -0.09 -4.98 113.62 115.86 2wqg n SER 7 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2wqg n SER 7 Cb 0.68 1.44 0.00 0.00 -1.01 0.00 0.00 64.21 65.32 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 -2.51 0.00 -4.60 -3.43 4.32 0.13 -5.03 117.00 105.88 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 0.87 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.59 2wqg n LEU 8 CO 0.43 -1.11 -0.38 0.28 -1.22 0.00 0.00 177.39 175.39 2wqg s THR 9 N -0.57 3.34 0.43 -5.08 -1.32 -1.26 -5.01 115.64 106.17 2wqg s THR 9 Ca 0.00 -1.63 0.10 0.00 -1.21 0.00 0.00 61.69 58.94 2wqg s THR 9 Cb 0.00 -2.67 0.28 0.00 -1.51 0.00 0.00 72.50 68.60 2wqg s THR 9 CO 0.00 -0.14 2.05 -0.37 -2.21 0.00 0.00 174.62 173.95 2wqg h VAL 10 N 2.59 1.04 -0.28 5.08 -1.51 -1.96 0.21 116.25 121.43 2wqg h VAL 10 Ca -0.46 -0.16 -0.05 0.00 -1.23 0.00 0.00 66.70 64.80 2wqg h VAL 10 Cb 1.21 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 2wqg h VAL 10 CO 0.56 0.08 -0.01 -0.37 -1.23 0.00 0.00 177.57 176.60 2wqg h VAL 11 N 0.47 1.26 -0.13 7.19 -1.51 -1.99 -1.49 116.25 120.06 2wqg h VAL 11 Ca 0.17 -0.95 -0.19 0.00 -1.23 0.00 0.00 66.70 64.50 2wqg h VAL 11 Cb 0.10 1.32 0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2wqg h VAL 11 CO -0.04 0.30 -0.66 1.56 -1.23 0.00 0.00 177.57 177.50 2wqg h GLN 12 N 0.29 0.67 0.25 5.19 7.50 -1.85 -1.12 115.11 126.04 2wqg h GLN 12 Ca 0.08 -0.55 0.00 0.00 0.50 0.00 0.00 58.65 58.68 2wqg h GLN 12 Cb 0.44 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 2wqg h GLN 12 CO 0.02 1.17 -0.28 -0.07 -1.50 0.00 0.00 178.83 178.17 2wqg h LEU 13 N 0.35 -0.75 -0.69 1.46 4.07 -0.57 0.23 115.31 119.40 2wqg h LEU 13 Ca -0.05 0.07 -0.14 0.00 0.08 0.00 0.00 57.88 57.84 2wqg h LEU 13 Cb 1.30 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 43.29 2wqg h LEU 13 CO 0.14 -0.39 -0.60 0.07 -1.08 0.00 0.00 178.44 176.58 2wqg h LYS 14 N -0.57 0.19 0.04 1.13 5.09 -1.36 -0.29 116.57 120.81 2wqg h LYS 14 Ca -0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 60.65 60.61 2wqg h LYS 14 Cb 0.53 0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.88 2wqg h LYS 14 CO -0.08 0.73 -0.02 0.22 -2.09 0.00 0.00 179.45 178.21 2wqg h ASP 15 N 0.14 -0.05 0.22 7.07 3.58 -0.91 -1.41 116.42 125.06 2wqg h ASP 15 Ca -0.01 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.21 2wqg h ASP 15 Cb 1.09 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2wqg h ASP 15 CO 0.09 0.13 -0.30 0.17 -2.88 0.00 0.00 179.24 176.45 2wqg h LEU 16 N -0.23 0.14 0.49 2.28 -0.00 -0.54 -1.98 115.31 115.47 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 0.21 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2wqg h LEU 16 CO 0.01 0.44 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.12 -0.77 -1.32 0.17 3.38 -0.55 0.66 115.31 117.00 2wqg h LEU 17 Ca 0.02 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2wqg h LEU 17 Cb 0.60 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2wqg h LEU 17 CO 0.04 -0.48 -0.10 0.00 0.09 0.00 0.00 178.44 177.99 2wqg h THR 18 N -0.76 1.19 0.00 0.22 1.03 -1.21 -0.49 112.91 112.89 2wqg h THR 18 Ca -0.06 -0.81 0.00 0.00 -0.01 0.00 0.00 66.41 65.53 2wqg h THR 18 Cb 0.62 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2wqg h THR 18 CO 0.05 0.26 0.00 0.11 -0.01 0.00 0.00 175.52 175.94 2wqg h LYS 19 N 0.32 0.00 0.00 0.00 1.57 -0.82 -2.95 116.57 114.69 2wqg h LYS 19 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wqg h LYS 19 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2wqg h LYS 19 CO 0.02 0.00 -0.53 -2.13 -0.57 0.00 0.00 179.45 176.24 2wqg n ARG 20 N -2.38 0.22 0.00 3.15 0.63 0.23 -4.94 116.66 113.57 2wqg n ARG 20 Ca 0.04 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2wqg n ARG 20 Cb 0.34 -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 -1.97 0.00 0.00 6.15 2.85 -1.09 -5.04 115.26 116.17 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 -5.01 117.00 116.87 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 0.40 -1.20 -1.33 0.00 0.00 177.39 175.26 2wqg n SER 23 N 0.00 -1.13 0.00 -1.43 7.64 -1.25 -4.72 113.62 112.72 2wqg n SER 23 Ca 0.00 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.19 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 -0.37 0.05 -0.71 0.44 0.24 -1.26 -4.49 118.33 112.23 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 -0.03 2.79 0.00 7.63 0.00 -1.26 -4.04 105.19 110.28 2wqg n GLY 25 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 3.95 -0.50 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.22 2wqg n GLY 26 Ca 0.40 0.32 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 -0.05 0.00 -0.03 0.99 -0.00 -1.26 -4.93 117.00 111.73 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 0.53 0.50 -0.00 0.00 0.00 177.39 178.42 2wqg h LYS 28 N 0.00 -0.50 -0.63 1.96 3.64 -1.96 2.65 116.57 121.74 2wqg h LYS 28 Ca 0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 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 0.29 -2.95 -2.27 0.00 0.00 179.45 174.19 2wqg h ASN 29 N -0.52 0.36 0.34 4.20 -1.07 -1.96 0.29 115.58 117.22 2wqg h ASN 29 Ca 0.06 0.06 -0.06 0.00 0.07 0.00 0.00 56.30 56.43 2wqg h ASN 29 Cb 0.65 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.90 2wqg h ASN 29 CO -0.46 0.22 -0.29 -0.33 0.07 0.00 0.00 177.43 176.64 2wqg h GLU 30 N 0.51 0.00 -0.01 4.14 4.39 -1.50 -1.74 114.58 120.38 2wqg h GLU 30 Ca 0.31 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2wqg h GLU 30 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2wqg h GLU 30 CO -0.26 0.29 -0.01 -1.49 -1.16 0.00 0.00 179.01 176.37 2wqg h TRP 31 N 0.00 0.03 -0.56 4.33 6.55 0.79 -0.32 115.95 126.76 2wqg h TRP 31 Ca -0.00 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.83 2wqg h TRP 31 Cb 0.53 -0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.80 2wqg h TRP 31 CO 0.00 0.57 0.34 -0.24 -1.05 0.00 0.00 178.44 178.06 2wqg h VAL 32 N -0.53 1.16 0.06 1.49 3.04 -0.53 0.26 116.25 121.20 2wqg h VAL 32 Ca 0.00 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2wqg h VAL 32 Cb 0.57 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2wqg h VAL 32 CO 0.00 0.17 -0.03 1.56 -1.01 0.00 0.00 177.57 178.26 2wqg h GLN 33 N 0.77 -0.08 -0.61 4.17 1.08 -1.25 0.62 115.11 119.80 2wqg h GLN 33 Ca 0.20 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 2wqg h GLN 33 Cb -0.03 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 2wqg h GLN 33 CO -0.04 0.27 0.16 0.07 -0.95 0.00 0.00 178.83 178.34 2wqg h ARG 34 N -0.43 0.97 0.15 1.46 0.11 -0.69 -0.84 114.38 115.12 2wqg h ARG 34 Ca -0.01 -0.23 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 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 0.88 -0.07 -0.07 0.10 0.00 0.00 179.97 180.82 2wqg h LEU 35 N 0.89 -0.17 -1.28 0.08 3.38 -0.49 0.25 115.31 117.97 2wqg h LEU 35 Ca 0.19 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2wqg h LEU 35 Cb 0.34 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 2wqg h LEU 35 CO 0.00 0.01 0.56 0.40 0.09 0.00 0.00 178.44 179.50 2wqg h ILE 36 N -0.34 0.89 -0.04 1.22 2.04 -0.77 0.31 117.51 120.83 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 0.27 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2wqg h ILE 36 CO 0.03 0.14 -0.62 0.50 0.00 0.00 0.00 178.15 178.20 2wqg h LYS 37 N 0.75 0.14 -0.22 2.37 3.64 -0.73 -0.98 116.57 121.54 2wqg h LYS 37 Ca 0.42 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 2wqg h LYS 37 Cb 0.58 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2wqg h LYS 37 CO -0.18 0.71 -0.00 0.22 -2.27 0.00 0.00 179.45 177.93 2wqg h ASP 38 N 0.10 0.39 0.24 4.20 1.82 0.30 0.48 116.42 123.96 2wqg h ASP 38 Ca -0.01 -0.31 -0.13 0.00 -0.39 0.00 0.00 57.03 56.19 2wqg h ASP 38 Cb 1.11 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 2wqg h ASP 38 CO 0.09 0.61 -0.51 0.44 -1.61 0.00 0.00 179.24 178.26 2wqg h ASP 39 N 0.16 0.33 1.74 2.28 5.19 -0.98 -2.76 116.42 122.37 2wqg h ASP 39 Ca 0.06 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2wqg h ASP 39 Cb 0.41 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 2wqg h ASP 39 CO 0.01 0.78 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.47 2wqg h GLU 40 N 0.24 0.00 -0.01 3.56 5.08 -1.01 -3.24 114.58 119.20 2wqg h GLU 40 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wqg h GLU 40 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2wqg h GLU 40 CO 0.08 0.12 0.46 1.49 -1.00 0.00 0.00 179.01 180.16 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 4.81 0.27 0.81 114.58 122.80 2wqg h GLU 41 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wqg h GLU 41 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2wqg h GLU 41 CO 0.02 0.00 -1.75 0.43 -0.73 0.00 0.00 179.01 176.98 2wqg n SER 42 N -2.83 0.22 -3.76 1.04 7.64 -1.22 -4.91 113.62 109.80 2wqg n SER 42 Ca -0.01 -0.09 -0.24 0.00 1.01 0.00 0.00 58.87 59.53 2wqg n SER 42 Cb 0.50 1.68 0.03 0.00 -1.01 0.00 0.00 64.21 65.42 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 -2.20 -5.32 0.00 1.43 4.81 0.28 -4.40 118.16 112.77 2wqg n LYS 43 Ca -0.02 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2wqg n LYS 43 Cb 0.53 -5.34 0.00 0.00 0.02 0.00 0.00 35.03 30.25 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 -1.63 0.94 0.48 3.14 0.00 -1.26 -4.93 105.19 101.94 2wqg n GLY 44 Ca -0.17 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 2wqg n GLY 44 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wqg h GLU 45 N 4.43 -1.16 -5.43 1.61 5.08 -1.96 -3.45 114.58 113.69 2wqg h GLU 45 Ca 0.00 0.08 -0.42 0.00 -1.00 0.00 0.00 59.36 58.01 2wqg h GLU 45 Cb 0.00 0.26 -0.20 0.00 0.50 0.00 0.00 28.75 29.31 2wqg h GLU 45 CO 0.00 -0.77 -0.78 0.45 -1.00 0.00 0.00 179.01 176.91 2wqg s SER 46 N -4.17 1.84 0.00 1.42 0.15 -1.26 -4.99 113.70 106.69 2wqg s SER 46 Ca -0.18 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2wqg s SER 46 Cb 0.02 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2wqg s SER 46 CO 0.55 -0.09 0.00 1.21 1.20 0.00 0.00 173.24 176.11 2wqg n GLU 47 N 1.02 0.00 -2.47 5.44 0.00 -1.26 -4.95 120.64 118.42 2wqg n GLU 47 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.57 2wqg n GLU 47 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.95 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 -1.28 3.48 -0.42 6.31 1.01 -1.26 -5.02 120.40 123.21 2wqg s VAL 48 Ca 0.00 1.45 0.07 0.00 0.00 0.00 0.00 61.98 63.50 2wqg s VAL 48 Cb 0.00 -3.91 0.18 0.00 0.00 0.00 0.00 36.38 32.65 2wqg s VAL 48 CO 0.00 0.31 0.61 -0.55 0.00 0.00 0.00 175.10 175.48 2wqg s SER 49 N -0.95 -1.20 -0.81 3.32 0.15 -1.26 -5.05 113.70 107.90 2wqg s SER 49 Ca 0.46 -1.04 -0.10 0.00 0.70 0.00 0.00 55.95 55.97 2wqg s SER 49 Cb -0.31 1.78 -0.08 0.00 -1.71 0.00 0.00 66.02 65.69 2wqg s SER 49 CO 0.40 -0.16 1.99 -0.81 1.20 0.00 0.00 173.24 175.85 2wqg n PRO 50 N 4.16 1.78 0.00 5.44 -0.04 -1.26 -5.36 135.00 139.72 2wqg n PRO 50 Ca 0.12 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 2wqg n PRO 50 Cb 0.55 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2wqg n PRO 50 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40