#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 0.12 -4.92 1.61 0.02 -2.02 -3.47 113.55 104.89 2wqg h SER 2 Ca 0.00 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 2wqg h SER 2 Cb 0.00 -0.03 -0.19 0.00 0.14 0.00 0.00 62.40 62.32 2wqg h SER 2 CO 0.00 0.57 0.23 0.00 -1.14 0.00 0.00 176.83 176.49 2wqg s ALA 3 N -4.32 -1.77 -0.17 3.77 0.00 -1.26 -5.03 121.76 112.98 2wqg s ALA 3 Ca -0.15 1.28 0.13 0.00 0.00 0.00 0.00 51.96 53.22 2wqg s ALA 3 Cb 0.03 -0.00 0.31 0.00 0.00 0.00 0.00 23.12 23.46 2wqg s ALA 3 CO 0.70 -0.40 1.24 -3.47 0.00 0.00 0.00 175.76 173.83 2wqg n ASP 4 N 0.79 -0.32 0.09 0.00 2.03 -1.26 -4.93 116.55 112.95 2wqg n ASP 4 Ca -0.18 -2.08 0.20 0.00 0.52 0.00 0.00 54.79 53.25 2wqg n ASP 4 Cb 0.58 0.18 0.75 0.00 -0.72 0.00 0.00 41.12 41.90 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 1.02 0.00 -0.36 -0.67 0.05 -1.96 -0.21 116.97 114.84 2wqg h TYR 5 Ca -0.39 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.50 2wqg h TYR 5 Cb 1.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.15 2wqg h TYR 5 CO 0.05 0.00 0.52 1.03 -1.05 0.00 0.00 178.16 178.71 2wqg h SER 6 N 0.00 0.00 0.00 3.88 0.87 -1.91 0.36 113.55 116.75 2wqg h SER 6 Ca 0.19 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.56 2wqg h SER 6 Cb 1.05 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 2wqg h SER 6 CO -0.00 0.00 -2.20 -1.20 -0.53 0.00 0.00 176.83 172.90 2wqg n SER 7 N -3.42 0.03 -3.32 6.23 7.64 -0.09 -4.98 113.62 115.71 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 0.67 1.46 0.00 0.00 -1.01 0.00 0.00 64.21 65.34 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 -2.52 0.00 -4.58 -3.43 4.32 0.13 -5.03 117.00 105.89 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 0.88 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.59 2wqg n LEU 8 CO 0.44 -1.04 -0.40 0.28 -1.22 0.00 0.00 177.39 175.46 2wqg s THR 9 N -0.50 3.25 0.48 -5.08 -1.32 -1.26 -5.01 115.64 106.20 2wqg s THR 9 Ca 0.00 -1.66 0.14 0.00 -1.21 0.00 0.00 61.69 58.97 2wqg s THR 9 Cb 0.00 -2.62 0.29 0.00 -1.51 0.00 0.00 72.50 68.66 2wqg s THR 9 CO 0.00 -0.13 2.08 -0.37 -2.21 0.00 0.00 174.62 174.00 2wqg h VAL 10 N 2.67 0.98 -0.24 5.08 -1.51 -1.96 0.20 116.25 121.48 2wqg h VAL 10 Ca -0.46 -0.07 -0.09 0.00 -1.23 0.00 0.00 66.70 64.84 2wqg h VAL 10 Cb 1.21 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2wqg h VAL 10 CO 0.55 0.04 -0.21 -0.37 -1.23 0.00 0.00 177.57 176.35 2wqg h VAL 11 N 0.21 1.32 -0.12 7.19 -1.51 -1.99 -1.95 116.25 119.40 2wqg h VAL 11 Ca 0.11 -1.36 -0.17 0.00 -1.23 0.00 0.00 66.70 64.04 2wqg h VAL 11 Cb 0.17 1.68 0.01 0.00 -2.13 0.00 0.00 31.29 31.02 2wqg h VAL 11 CO -0.02 0.42 -0.60 1.56 -1.23 0.00 0.00 177.57 177.71 2wqg h GLN 12 N 0.26 0.61 0.11 5.19 7.50 -1.83 -1.01 115.11 125.94 2wqg h GLN 12 Ca 0.04 -0.50 0.02 0.00 0.50 0.00 0.00 58.65 58.71 2wqg h GLN 12 Cb 0.76 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.36 2wqg h GLN 12 CO 0.05 1.12 -0.22 -0.07 -1.50 0.00 0.00 178.83 178.21 2wqg h LEU 13 N 0.25 -0.63 -0.65 1.46 4.07 -0.66 0.22 115.31 119.37 2wqg h LEU 13 Ca -0.04 0.07 -0.15 0.00 0.08 0.00 0.00 57.88 57.85 2wqg h LEU 13 Cb 1.24 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 2wqg h LEU 13 CO 0.12 -0.31 -0.57 0.07 -1.08 0.00 0.00 178.44 176.67 2wqg h LYS 14 N -0.42 0.32 0.08 1.13 2.10 -1.43 -0.20 116.57 118.16 2wqg h LYS 14 Ca 0.03 -0.21 -0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2wqg h LYS 14 Cb 0.44 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2wqg h LYS 14 CO -0.13 0.80 -0.04 0.22 -2.00 0.00 0.00 179.45 178.30 2wqg h ASP 15 N 0.25 -0.10 0.22 7.07 -0.00 -0.83 -1.21 116.42 121.83 2wqg h ASP 15 Ca 0.00 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.03 56.84 2wqg h ASP 15 Cb 1.07 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.42 2wqg h ASP 15 CO 0.09 0.06 -0.30 0.17 -0.00 0.00 0.00 179.24 179.26 2wqg h LEU 16 N -0.25 0.14 0.52 2.28 -0.00 -0.57 -1.99 115.31 115.44 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 -0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2wqg h LEU 16 CO 0.02 0.44 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.52 2wqg h LEU 17 N 0.12 -0.77 -1.25 0.17 3.38 -0.48 0.68 115.31 117.15 2wqg h LEU 17 Ca 0.02 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2wqg h LEU 17 Cb 0.61 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2wqg h LEU 17 CO 0.04 -0.49 -0.09 0.00 0.09 0.00 0.00 178.44 177.99 2wqg h THR 18 N -0.79 1.20 0.00 0.22 1.03 -1.18 -0.58 112.91 112.81 2wqg h THR 18 Ca -0.06 -0.85 0.00 0.00 -0.01 0.00 0.00 66.41 65.48 2wqg h THR 18 Cb 0.64 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2wqg h THR 18 CO 0.07 0.28 0.00 0.11 -0.01 0.00 0.00 175.52 175.97 2wqg h LYS 19 N 0.38 0.00 0.00 0.00 1.57 -0.91 -2.94 116.57 114.66 2wqg h LYS 19 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2wqg h LYS 19 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wqg h LYS 19 CO 0.02 0.00 -0.48 -2.13 -0.57 0.00 0.00 179.45 176.29 2wqg n ARG 20 N -2.33 0.21 0.00 3.15 0.63 0.23 -4.93 116.66 113.61 2wqg n ARG 20 Ca 0.04 0.08 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 31.60 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2wqg n ASN 21 N -1.95 0.00 0.00 6.15 3.02 -1.10 -5.03 115.26 116.34 2wqg n ASN 21 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2wqg n ASN 21 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.00 0.00 3.41 4.77 -1.09 -5.01 117.00 119.08 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 -1.11 0.00 -1.43 7.64 -1.25 -4.73 113.62 112.74 2wqg n SER 23 Ca 0.00 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.22 2wqg n SER 23 Cb 0.00 1.83 0.00 0.00 -1.01 0.00 0.00 64.21 65.03 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 0.05 -0.73 0.44 0.24 -1.26 -4.48 118.33 112.21 2wqg n VAL 24 Ca -0.03 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.34 61.73 2wqg n VAL 24 Cb 0.34 1.39 -0.03 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 -0.02 2.69 0.00 7.63 0.00 -1.26 -4.04 105.19 110.19 2wqg n GLY 25 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.57 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 -0.67 1.96 3.64 -1.95 2.38 116.57 121.42 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 0.45 0.33 4.20 7.08 -1.96 0.24 115.58 125.38 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 -0.28 -0.33 -2.08 0.00 0.00 177.43 174.57 2wqg h GLU 30 N 0.59 0.00 -0.01 4.14 4.39 -1.51 -1.66 114.58 120.52 2wqg h GLU 30 Ca 0.32 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 2wqg h GLU 30 Cb 0.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2wqg h GLU 30 CO -0.24 0.28 -0.02 -1.49 -1.16 0.00 0.00 179.01 176.38 2wqg h TRP 31 N 0.00 0.04 -0.54 4.33 6.55 0.71 -0.25 115.95 126.78 2wqg h TRP 31 Ca -0.00 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.82 2wqg h TRP 31 Cb 0.52 -0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 28.78 2wqg h TRP 31 CO 0.00 0.58 0.32 -0.24 -1.05 0.00 0.00 178.44 178.05 2wqg h VAL 32 N -0.51 1.16 0.07 1.49 3.04 -0.66 0.24 116.25 121.08 2wqg h VAL 32 Ca 0.00 -0.36 -0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2wqg h VAL 32 Cb 0.58 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 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 0.74 -0.08 -0.60 4.17 1.08 -1.23 0.53 115.11 119.72 2wqg h GLN 33 Ca 0.19 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 2wqg h GLN 33 Cb -0.02 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2wqg h GLN 33 CO -0.04 0.26 0.13 0.07 -0.95 0.00 0.00 178.83 178.30 2wqg h ARG 34 N -0.44 0.98 0.17 1.46 0.11 -0.69 -0.56 114.38 115.41 2wqg h ARG 34 Ca -0.01 -0.25 -0.01 0.00 0.10 0.00 0.00 59.98 59.82 2wqg h ARG 34 Cb 0.38 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2wqg h ARG 34 CO 0.01 0.91 -0.08 -0.07 0.10 0.00 0.00 179.97 180.84 2wqg h LEU 35 N 0.89 -0.19 -1.32 0.08 3.38 -0.53 0.36 115.31 117.98 2wqg h LEU 35 Ca 0.19 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.18 2wqg h LEU 35 Cb 0.38 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2wqg h LEU 35 CO 0.01 -0.03 0.54 0.40 0.09 0.00 0.00 178.44 179.45 2wqg h ILE 36 N -0.35 0.92 -0.04 1.22 2.04 -0.79 0.30 117.51 120.81 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 0.27 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2wqg h ILE 36 CO 0.04 0.13 -0.62 0.50 0.00 0.00 0.00 178.15 178.20 2wqg h LYS 37 N 0.73 0.14 -0.32 2.37 1.63 -0.62 -0.64 116.57 119.87 2wqg h LYS 37 Ca 0.39 -0.10 -0.06 0.00 -0.85 0.00 0.00 60.65 60.04 2wqg h LYS 37 Cb 0.53 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2wqg h LYS 37 CO -0.16 0.72 -0.02 0.22 -3.45 0.00 0.00 179.45 176.76 2wqg h ASP 38 N 0.10 0.57 0.68 4.20 1.82 0.33 0.06 116.42 124.18 2wqg h ASP 38 Ca -0.01 -0.32 -0.14 0.00 -0.39 0.00 0.00 57.03 56.17 2wqg h ASP 38 Cb 1.12 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.96 2wqg h ASP 38 CO 0.09 0.75 -0.67 0.44 -1.61 0.00 0.00 179.24 178.24 2wqg h ASP 39 N 0.37 0.00 1.50 2.28 3.45 -0.98 -2.96 116.42 120.08 2wqg h ASP 39 Ca 0.09 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.52 2wqg h ASP 39 Cb 0.48 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.24 2wqg h ASP 39 CO 0.02 0.67 -0.13 -0.33 -1.57 0.00 0.00 179.24 177.90 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 5.08 -0.92 -3.18 114.58 119.12 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 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wqg h GLU 40 CO 0.09 0.13 0.31 0.93 -1.00 0.00 0.00 179.01 179.47 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 5.08 -0.80 0.73 114.58 121.92 2wqg h GLU 41 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2wqg h GLU 41 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2wqg h GLU 41 CO 0.02 0.00 -0.98 0.66 -1.00 0.00 0.00 179.01 177.70 2wqg h SER 42 N 0.00 0.00 -3.98 1.42 4.64 -1.75 -3.41 113.55 110.48 2wqg h SER 42 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2wqg h SER 42 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2wqg h SER 42 CO 0.00 0.17 -0.24 1.17 -0.87 0.00 0.00 176.83 177.06 2wqg n LYS 43 N -2.80 -2.35 0.00 4.77 3.00 0.25 -1.01 118.16 120.03 2wqg n LYS 43 Ca -0.02 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 2wqg n LYS 43 Cb 0.63 -5.02 0.00 0.00 0.00 0.00 0.00 35.03 30.64 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 -0.70 2.29 0.35 3.14 0.00 -1.26 -4.41 105.19 104.60 2wqg n GLY 44 Ca -0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2wqg n GLY 44 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wqg h GLU 45 N 0.00 -0.85 -7.03 1.61 4.81 -2.00 -3.44 114.58 107.68 2wqg h GLU 45 Ca 0.00 0.06 -0.38 0.00 -0.13 0.00 0.00 59.36 58.91 2wqg h GLU 45 Cb 0.00 0.19 0.22 0.00 0.63 0.00 0.00 28.75 29.79 2wqg h GLU 45 CO 0.00 -0.56 -0.12 -1.12 -0.73 0.00 0.00 179.01 176.47 2wqg s SER 46 N -3.84 -1.20 0.08 1.04 0.01 -0.18 -5.07 113.70 104.54 2wqg s SER 46 Ca -0.13 0.82 -0.26 0.00 1.31 0.00 0.00 55.95 57.69 2wqg s SER 46 Cb 0.01 -1.14 0.09 0.00 0.21 0.00 0.00 66.02 65.19 2wqg s SER 46 CO 0.38 -5.45 1.15 -0.70 0.41 0.00 0.00 173.24 169.04 2wqg s GLU 47 N -5.12 0.84 -0.47 12.44 2.12 -1.24 -4.40 118.70 122.86 2wqg s GLU 47 Ca 0.69 -0.51 0.08 0.00 0.36 0.00 0.00 54.97 55.59 2wqg s GLU 47 Cb -0.12 0.25 0.31 0.00 0.26 0.00 0.00 34.13 34.83 2wqg s GLU 47 CO 0.57 -0.39 0.75 1.33 -0.54 0.00 0.00 175.26 176.99 2wqg n VAL 48 N -0.66 1.00 -3.84 3.70 0.24 -1.26 -4.86 118.33 112.65 2wqg n VAL 48 Ca -0.03 -4.84 -0.06 0.00 -2.04 0.00 0.00 64.34 57.36 2wqg n VAL 48 Cb 0.60 -1.21 -0.01 0.00 -1.47 0.00 0.00 33.84 31.75 2wqg n VAL 48 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2wqg s SER 49 N -2.47 -0.22 0.56 -1.34 0.01 -1.26 -5.02 113.70 103.97 2wqg s SER 49 Ca 0.41 -0.62 0.30 0.00 1.31 0.00 0.00 55.95 57.35 2wqg s SER 49 Cb 0.26 0.69 1.46 0.00 0.21 0.00 0.00 66.02 68.65 2wqg s SER 49 CO -0.09 -1.30 1.88 -0.65 0.41 0.00 0.00 173.24 173.49 2wqg h PRO 50 N 2.00 0.00 -0.00 12.44 0.11 -2.07 -3.56 132.00 140.92 2wqg h PRO 50 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2wqg h PRO 50 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wqg h PRO 50 CO 0.25 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.08