#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 0.00 -4.61 1.61 2.88 -1.26 -4.74 113.62 107.51 2wqg n SER 2 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2wqg n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wqg s ALA 3 N 0.00 3.05 -0.19 -1.46 0.00 -1.26 -5.01 121.76 116.89 2wqg s ALA 3 Ca 0.00 -1.16 0.16 0.00 0.00 0.00 0.00 51.96 50.97 2wqg s ALA 3 Cb 0.00 -1.02 0.37 0.00 0.00 0.00 0.00 23.12 22.47 2wqg s ALA 3 CO 0.00 0.65 1.24 -3.47 0.00 0.00 0.00 175.76 174.18 2wqg n ASP 4 N 0.90 0.04 0.11 0.00 -0.08 -1.26 -4.93 116.55 111.32 2wqg n ASP 4 Ca -0.13 -2.08 0.20 0.00 -1.51 0.00 0.00 54.79 51.27 2wqg n ASP 4 Cb 0.52 0.06 0.74 0.00 2.34 0.00 0.00 41.12 44.79 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2wqg h TYR 5 N 1.32 0.00 -0.23 -0.67 0.05 -1.95 -0.27 116.97 115.23 2wqg h TYR 5 Ca -0.33 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.51 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 0.13 0.00 0.47 1.03 -1.05 0.00 0.00 178.16 178.74 2wqg h SER 6 N 0.00 0.00 0.00 3.88 0.87 -1.91 0.29 113.55 116.67 2wqg h SER 6 Ca 0.18 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 2wqg h SER 6 Cb 1.09 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 2wqg h SER 6 CO -0.00 0.00 -1.96 -1.20 -0.53 0.00 0.00 176.83 173.14 2wqg n SER 7 N -3.24 0.79 -3.32 6.23 7.64 -0.11 -4.99 113.62 116.61 2wqg n SER 7 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2wqg n SER 7 Cb 0.58 1.52 0.00 0.00 -1.01 0.00 0.00 64.21 65.30 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 -2.31 0.00 -4.65 -3.43 4.32 0.10 -5.03 117.00 105.99 2wqg n LEU 8 Ca -0.12 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.61 2wqg n LEU 8 Cb 0.68 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.41 2wqg n LEU 8 CO 0.38 -1.13 -0.33 0.28 -1.22 0.00 0.00 177.39 175.37 2wqg s THR 9 N -0.61 3.63 0.48 -5.08 -1.32 -1.26 -5.00 115.64 106.48 2wqg s THR 9 Ca 0.00 -1.56 0.13 0.00 -1.21 0.00 0.00 61.69 59.05 2wqg s THR 9 Cb 0.00 -2.85 0.27 0.00 -1.51 0.00 0.00 72.50 68.40 2wqg s THR 9 CO 0.00 -0.18 2.11 -0.37 -2.21 0.00 0.00 174.62 173.97 2wqg h VAL 10 N 2.32 1.04 -0.18 5.08 -1.51 -1.96 0.28 116.25 121.33 2wqg h VAL 10 Ca -0.46 -0.09 -0.12 0.00 -1.23 0.00 0.00 66.70 64.80 2wqg h VAL 10 Cb 1.22 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2wqg h VAL 10 CO 0.58 0.04 -0.35 -0.37 -1.23 0.00 0.00 177.57 176.24 2wqg h VAL 11 N 0.20 1.34 -0.15 7.19 -1.51 -1.98 -1.95 116.25 119.40 2wqg h VAL 11 Ca 0.05 -1.59 -0.21 0.00 -1.23 0.00 0.00 66.70 63.72 2wqg h VAL 11 Cb -0.01 1.92 0.01 0.00 -2.13 0.00 0.00 31.29 31.07 2wqg h VAL 11 CO -0.01 0.49 -0.75 1.56 -1.23 0.00 0.00 177.57 177.62 2wqg h GLN 12 N 0.20 0.73 0.38 5.19 4.20 -1.85 -0.80 115.11 123.16 2wqg h GLN 12 Ca 0.01 -0.59 -0.02 0.00 0.06 0.00 0.00 58.65 58.11 2wqg h GLN 12 Cb 0.95 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.85 2wqg h GLN 12 CO 0.08 1.20 -0.18 -0.07 -0.67 0.00 0.00 178.83 179.18 2wqg h LEU 13 N 0.50 -0.44 -0.86 1.46 4.07 -0.50 -0.11 115.31 119.44 2wqg h LEU 13 Ca -0.04 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 2wqg h LEU 13 Cb 1.37 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 43.21 2wqg h LEU 13 CO 0.15 -0.31 -0.56 0.07 -1.08 0.00 0.00 178.44 176.71 2wqg h LYS 14 N -0.52 0.00 0.09 1.13 2.10 -1.42 -0.41 116.57 117.54 2wqg h LYS 14 Ca -0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2wqg h LYS 14 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2wqg h LYS 14 CO 0.09 0.56 -0.04 0.22 -2.00 0.00 0.00 179.45 178.28 2wqg h ASP 15 N 0.00 -0.10 -0.21 7.07 -0.00 -0.93 -1.72 116.42 120.52 2wqg h ASP 15 Ca -0.01 -0.24 -0.08 0.00 -0.00 0.00 0.00 57.03 56.70 2wqg h ASP 15 Cb 1.01 0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 40.35 2wqg h ASP 15 CO 0.07 0.19 -0.11 0.17 -0.00 0.00 0.00 179.24 179.56 2wqg h LEU 16 N -0.41 0.58 0.03 2.28 -0.00 -1.02 -1.91 115.31 114.86 2wqg h LEU 16 Ca -0.01 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.74 2wqg h LEU 16 Cb 0.34 -0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 40.80 2wqg h LEU 16 CO 0.02 0.73 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.76 2wqg h LEU 17 N 0.55 -1.09 -1.59 0.17 3.38 -0.80 0.44 115.31 116.36 2wqg h LEU 17 Ca 0.10 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2wqg h LEU 17 Cb 0.52 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2wqg h LEU 17 CO 0.03 -0.43 -0.22 0.00 0.09 0.00 0.00 178.44 177.92 2wqg h THR 18 N -0.54 1.06 0.00 0.22 1.03 -1.23 -0.65 112.91 112.79 2wqg h THR 18 Ca 0.05 -0.77 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 2wqg h THR 18 Cb 0.61 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 69.11 2wqg h THR 18 CO -0.27 0.21 0.00 0.11 -0.01 0.00 0.00 175.52 175.56 2wqg h LYS 19 N 0.00 0.00 0.00 0.00 1.57 -0.01 -2.73 116.57 115.40 2wqg h LYS 19 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 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 0.03 0.00 -0.63 0.54 -0.57 0.00 0.00 179.45 178.82 2wqg n ARG 20 N -3.06 0.21 0.00 3.15 5.12 0.13 -4.94 116.66 117.27 2wqg n ARG 20 Ca 0.01 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2wqg n ARG 20 Cb 0.32 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 2wqg n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2wqg n ASN 21 N -1.91 0.00 0.00 0.55 2.85 -1.03 -5.04 115.26 110.67 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 -1.13 -4.99 117.00 116.84 2wqg n LEU 22 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2wqg n LEU 22 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2wqg n LEU 22 CO 0.00 0.00 0.62 -1.20 -1.33 0.00 0.00 177.39 175.48 2wqg n SER 23 N 0.00 -1.88 0.00 -1.43 7.64 -1.26 -4.76 113.62 111.94 2wqg n SER 23 Ca 0.00 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.71 2wqg n SER 23 Cb 0.00 3.10 0.00 0.00 -1.01 0.00 0.00 64.21 66.30 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 -0.58 0.00 -0.74 0.44 0.24 -1.26 -4.57 118.33 111.86 2wqg n VAL 24 Ca -0.05 -0.30 -0.21 0.00 -2.04 0.00 0.00 64.34 61.74 2wqg n VAL 24 Cb 0.55 1.40 -0.03 0.00 -1.47 0.00 0.00 33.84 34.29 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 0.00 3.06 0.00 7.63 0.00 -1.26 -4.05 105.19 110.58 2wqg n GLY 25 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 3.66 -0.36 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.06 2wqg n GLY 26 Ca 0.44 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.26 0.00 -0.07 0.99 -0.00 -1.26 -4.91 117.00 111.49 2wqg n LEU 27 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 2wqg n LEU 27 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 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 -0.42 -0.61 1.96 3.64 -1.95 2.69 116.57 121.88 2wqg h LYS 28 Ca 0.00 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.50 2wqg h LYS 28 Cb 0.00 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 2wqg h LYS 28 CO 0.00 -0.28 0.22 -0.97 -2.27 0.00 0.00 179.45 176.15 2wqg h ASN 29 N -0.44 0.21 0.35 4.20 -1.24 -1.96 0.38 115.58 117.08 2wqg h ASN 29 Ca 0.09 0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.12 2wqg h ASN 29 Cb 0.62 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 2wqg h ASN 29 CO -0.51 0.12 -0.30 -0.33 -1.29 0.00 0.00 177.43 175.13 2wqg h GLU 30 N 0.40 0.00 -0.08 6.67 5.08 -1.36 -1.65 114.58 123.64 2wqg h GLU 30 Ca 0.31 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 2wqg h GLU 30 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2wqg h GLU 30 CO -0.31 0.30 -0.25 -1.49 -1.00 0.00 0.00 179.01 176.26 2wqg h TRP 31 N 0.00 0.40 -0.42 4.33 6.55 0.82 -0.51 115.95 127.12 2wqg h TRP 31 Ca -0.00 -0.16 -0.08 0.00 0.95 0.00 0.00 58.89 59.60 2wqg h TRP 31 Cb 0.56 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.78 2wqg h TRP 31 CO 0.00 0.87 -0.07 -0.24 -1.05 0.00 0.00 178.44 177.95 2wqg h VAL 32 N -0.19 1.24 -0.17 1.49 3.04 -0.32 0.90 116.25 122.24 2wqg h VAL 32 Ca -0.01 -1.06 -0.05 0.00 -1.01 0.00 0.00 66.70 64.56 2wqg h VAL 32 Cb 0.88 1.00 -0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2wqg h VAL 32 CO 0.05 0.36 -0.10 1.56 -1.01 0.00 0.00 177.57 178.43 2wqg h GLN 33 N 0.66 0.37 -0.48 4.17 1.08 -1.31 -0.16 115.11 119.45 2wqg h GLN 33 Ca 0.12 -0.17 -0.12 0.00 -1.45 0.00 0.00 58.65 57.03 2wqg h GLN 33 Cb 0.51 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2wqg h GLN 33 CO 0.03 0.70 -0.18 0.07 -0.95 0.00 0.00 178.83 178.49 2wqg h ARG 34 N 0.04 0.97 0.13 1.46 0.11 -0.95 -1.08 114.38 115.06 2wqg h ARG 34 Ca 0.04 -0.40 -0.01 0.00 0.10 0.00 0.00 59.98 59.70 2wqg h ARG 34 Cb 0.60 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2wqg h ARG 34 CO 0.03 1.08 -0.06 -0.07 0.10 0.00 0.00 179.97 181.04 2wqg h LEU 35 N 0.82 -0.15 -1.13 0.08 3.38 -0.83 0.19 115.31 117.67 2wqg h LEU 35 Ca 0.11 -0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.02 2wqg h LEU 35 Cb 0.76 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2wqg h LEU 35 CO 0.06 0.13 0.61 0.40 0.09 0.00 0.00 178.44 179.72 2wqg h ILE 36 N -0.42 0.86 -0.04 1.22 2.04 -1.00 0.38 117.51 120.55 2wqg h ILE 36 Ca -0.02 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 2wqg h ILE 36 Cb 0.34 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2wqg h ILE 36 CO 0.03 0.15 -0.61 0.50 0.00 0.00 0.00 178.15 178.23 2wqg h LYS 37 N 0.84 0.13 -0.07 2.37 3.64 -0.93 -0.82 116.57 121.74 2wqg h LYS 37 Ca 0.49 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 2wqg h LYS 37 Cb 0.63 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2wqg h LYS 37 CO -0.25 0.70 -0.02 0.22 -2.27 0.00 0.00 179.45 177.82 2wqg h ASP 38 N 0.10 0.14 0.01 4.20 1.82 0.28 0.70 116.42 123.66 2wqg h ASP 38 Ca -0.01 -0.40 -0.11 0.00 -0.39 0.00 0.00 57.03 56.13 2wqg h ASP 38 Cb 1.10 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.06 2wqg h ASP 38 CO 0.09 0.50 -0.32 0.44 -1.61 0.00 0.00 179.24 178.34 2wqg h ASP 39 N -0.23 0.46 1.75 2.28 3.32 -0.72 -2.71 116.42 120.57 2wqg h ASP 39 Ca 0.02 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2wqg h ASP 39 Cb 0.45 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2wqg h ASP 39 CO 0.01 0.76 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.96 2wqg h GLU 40 N 0.38 0.00 -0.11 3.56 4.22 -1.08 -3.16 114.58 118.40 2wqg h GLU 40 Ca 0.05 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.52 2wqg h GLU 40 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2wqg h GLU 40 CO 0.06 0.14 0.48 1.49 -2.18 0.00 0.00 179.01 179.00 2wqg h GLU 41 N 0.00 0.00 0.00 1.92 4.81 0.76 0.04 114.58 122.12 2wqg h GLU 41 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wqg h GLU 41 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2wqg h GLU 41 CO 0.02 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 178.75 2wqg n SER 42 N -2.99 0.42 -2.45 1.04 2.88 -1.23 -5.01 113.62 106.29 2wqg n SER 42 Ca 0.01 -0.73 -0.18 0.00 -1.33 0.00 0.00 58.87 56.63 2wqg n SER 42 Cb 0.55 0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 64.32 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2wqg n LYS 43 N -0.31 -2.01 -0.44 -1.46 3.00 -0.00 -4.68 118.16 112.25 2wqg n LYS 43 Ca 0.00 0.88 0.06 0.00 -0.00 0.00 0.00 58.31 59.25 2wqg n LYS 43 Cb 0.04 -5.53 -0.02 0.00 0.00 0.00 0.00 35.03 29.52 2wqg n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wqg n GLY 44 N -0.98 -1.43 5.22 3.14 0.00 -1.23 -4.99 105.19 104.92 2wqg n GLY 44 Ca -0.21 -1.12 0.06 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.41 -0.91 -3.37 1.61 2.13 -1.26 -4.41 120.64 112.01 2wqg n GLU 45 Ca 0.00 0.60 -0.46 0.00 0.66 0.00 0.00 57.16 57.96 2wqg n GLU 45 Cb 0.20 -1.11 -0.03 0.00 0.27 0.00 0.00 31.44 30.77 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wqg s SER 46 N -4.97 6.60 -0.01 4.31 0.01 -1.26 -4.81 113.70 113.56 2wqg s SER 46 Ca 0.00 -2.70 -0.07 0.00 1.31 0.00 0.00 55.95 54.49 2wqg s SER 46 Cb 0.00 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 2wqg s SER 46 CO 0.00 -0.55 -0.14 1.21 0.41 0.00 0.00 173.24 174.17 2wqg n GLU 47 N 3.93 0.21 -3.14 12.44 2.13 -1.26 -4.90 120.64 130.05 2wqg n GLU 47 Ca 0.13 0.08 -0.22 0.00 0.66 0.00 0.00 57.16 57.81 2wqg n GLU 47 Cb 0.46 -0.85 -0.04 0.00 0.27 0.00 0.00 31.44 31.28 2wqg n GLU 47 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2wqg n VAL 48 N -3.82 0.91 -3.99 6.31 3.14 -1.26 -5.08 118.33 114.54 2wqg n VAL 48 Ca -0.05 -4.85 -0.09 0.00 -2.96 0.00 0.00 64.34 56.38 2wqg n VAL 48 Cb 0.20 -0.97 -0.11 0.00 -1.06 0.00 0.00 33.84 31.91 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 -2.57 0.29 0.50 6.55 0.01 -1.26 -5.04 113.70 112.18 2wqg s SER 49 Ca 0.42 -0.53 0.33 0.00 1.31 0.00 0.00 55.95 57.47 2wqg s SER 49 Cb 0.29 0.10 1.41 0.00 0.21 0.00 0.00 66.02 68.03 2wqg s SER 49 CO -0.10 -0.31 1.96 1.55 0.41 0.00 0.00 173.24 176.76 2wqg h PRO 50 N 4.55 0.00 0.00 12.44 0.13 -2.02 -3.51 132.00 143.59 2wqg h PRO 50 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2wqg h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wqg h PRO 50 CO 0.43 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.24