#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 1.08 -4.83 1.61 7.64 -1.26 -5.08 113.62 112.78 2wqg n SER 2 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2wqg n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.77 3.33 -0.25 -0.43 0.00 -1.26 -4.99 121.76 116.39 2wqg s ALA 3 Ca 0.00 0.16 0.20 0.00 0.00 0.00 0.00 51.96 52.32 2wqg s ALA 3 Cb 0.00 -2.86 0.45 0.00 0.00 0.00 0.00 23.12 20.72 2wqg s ALA 3 CO 0.00 0.30 1.23 -0.25 0.00 0.00 0.00 175.76 177.04 2wqg n ASP 4 N 0.13 0.59 0.13 0.00 8.00 -1.26 -4.91 116.55 119.23 2wqg n ASP 4 Ca 0.01 -2.07 0.19 0.00 0.71 0.00 0.00 54.79 53.63 2wqg n ASP 4 Cb 0.52 -0.12 0.77 0.00 -0.02 0.00 0.00 41.12 42.28 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2wqg h TYR 5 N 1.91 0.00 -0.33 1.24 -1.99 -1.94 -0.61 116.97 115.26 2wqg h TYR 5 Ca -0.25 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.57 2wqg h TYR 5 Cb 1.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.06 2wqg h TYR 5 CO 0.29 0.00 0.53 0.66 -0.00 0.00 0.00 178.16 179.63 2wqg h SER 6 N 0.00 0.00 0.00 3.88 4.64 -1.91 0.38 113.55 120.55 2wqg h SER 6 Ca 0.15 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.28 2wqg h SER 6 Cb 0.77 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 2wqg h SER 6 CO -0.00 0.00 -2.15 -1.54 -0.87 0.00 0.00 176.83 172.27 2wqg n SER 7 N -3.34 0.26 -3.49 4.97 3.41 -0.24 -4.98 113.62 110.21 2wqg n SER 7 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2wqg n SER 7 Cb 0.67 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 66.04 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wqg n LEU 8 N -2.49 0.00 -4.58 1.04 4.32 0.13 -5.03 117.00 110.39 2wqg n LEU 8 Ca -0.19 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.55 2wqg n LEU 8 Cb 0.86 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.57 2wqg n LEU 8 CO 0.42 -0.87 -0.39 0.28 -1.22 0.00 0.00 177.39 175.61 2wqg s THR 9 N -0.35 3.18 0.46 -5.08 -1.32 -1.26 -5.01 115.64 106.26 2wqg s THR 9 Ca 0.00 -1.83 0.12 0.00 -1.21 0.00 0.00 61.69 58.77 2wqg s THR 9 Cb 0.00 -2.63 0.25 0.00 -1.51 0.00 0.00 72.50 68.61 2wqg s THR 9 CO 0.00 -0.23 2.08 -0.37 -2.21 0.00 0.00 174.62 173.89 2wqg h VAL 10 N 2.42 1.07 -0.21 5.08 -1.51 -1.96 0.13 116.25 121.27 2wqg h VAL 10 Ca -0.45 -0.21 -0.09 0.00 -1.23 0.00 0.00 66.70 64.72 2wqg h VAL 10 Cb 1.23 0.88 -0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2wqg h VAL 10 CO 0.57 0.08 -0.21 -0.37 -1.23 0.00 0.00 177.57 176.40 2wqg h VAL 11 N 0.21 1.33 -0.15 7.19 -1.51 -1.99 -1.95 116.25 119.39 2wqg h VAL 11 Ca 0.06 -1.38 -0.19 0.00 -1.23 0.00 0.00 66.70 63.96 2wqg h VAL 11 Cb 0.05 1.74 0.01 0.00 -2.13 0.00 0.00 31.29 30.96 2wqg h VAL 11 CO -0.01 0.42 -0.64 1.56 -1.23 0.00 0.00 177.57 177.68 2wqg h GLN 12 N 0.20 0.69 0.28 5.19 7.50 -1.89 -0.89 115.11 126.19 2wqg h GLN 12 Ca 0.03 -0.55 0.00 0.00 0.50 0.00 0.00 58.65 58.64 2wqg h GLN 12 Cb 0.76 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.38 2wqg h GLN 12 CO 0.05 1.17 -0.33 -0.07 -1.50 0.00 0.00 178.83 178.15 2wqg h LEU 13 N 0.38 -0.91 -0.93 1.46 4.07 -0.77 0.18 115.31 118.79 2wqg h LEU 13 Ca -0.04 0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 2wqg h LEU 13 Cb 1.27 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 43.32 2wqg h LEU 13 CO 0.13 -0.45 -0.49 0.07 -1.08 0.00 0.00 178.44 176.62 2wqg h LYS 14 N -0.66 0.11 0.09 1.13 2.10 -1.43 -0.40 116.57 117.52 2wqg h LYS 14 Ca -0.01 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2wqg h LYS 14 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2wqg h LYS 14 CO -0.09 0.58 -0.05 0.22 -2.00 0.00 0.00 179.45 178.11 2wqg h ASP 15 N 0.09 -0.11 0.18 7.07 1.82 -0.75 -1.39 116.42 123.33 2wqg h ASP 15 Ca 0.00 -0.20 -0.07 0.00 -0.39 0.00 0.00 57.03 56.37 2wqg h ASP 15 Cb 0.90 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2wqg h ASP 15 CO 0.07 0.14 -0.27 0.17 -1.61 0.00 0.00 179.24 177.74 2wqg h LEU 16 N -0.36 0.15 0.57 2.28 -0.00 -0.62 -1.86 115.31 115.47 2wqg h LEU 16 Ca -0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 2wqg h LEU 16 Cb 0.30 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2wqg h LEU 16 CO 0.02 0.42 -0.34 -0.07 -0.00 0.00 0.00 178.44 178.47 2wqg h LEU 17 N 0.14 -0.85 -1.71 0.17 3.38 -0.69 0.37 115.31 116.13 2wqg h LEU 17 Ca 0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wqg h LEU 17 Cb 0.55 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2wqg h LEU 17 CO 0.04 -0.54 -0.11 0.00 0.09 0.00 0.00 178.44 177.92 2wqg h THR 18 N -0.85 1.10 -0.31 0.22 1.03 -1.18 -0.07 112.91 112.84 2wqg h THR 18 Ca -0.07 -0.46 -0.02 0.00 -0.01 0.00 0.00 66.41 65.85 2wqg h THR 18 Cb 0.69 1.20 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 2wqg h THR 18 CO 0.07 0.13 0.10 0.11 -0.01 0.00 0.00 175.52 175.92 2wqg h LYS 19 N 0.04 0.45 0.00 0.00 1.57 -0.46 -0.86 116.57 117.31 2wqg h LYS 19 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wqg h LYS 19 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2wqg h LYS 19 CO 0.02 0.40 -0.11 0.54 -0.57 0.00 0.00 179.45 179.73 2wqg n ARG 20 N -4.38 0.23 -0.14 3.15 1.74 0.03 -4.91 116.66 112.38 2wqg n ARG 20 Ca 0.02 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2wqg n ARG 20 Cb 0.16 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 2wqg n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wqg n ASN 21 N -2.12 0.00 0.00 0.55 2.85 -0.33 -4.97 115.26 111.25 2wqg n ASN 21 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 2wqg n ASN 21 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 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 0.09 0.00 1.20 4.77 -1.13 -4.96 117.00 116.97 2wqg n LEU 22 Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2wqg n LEU 22 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2wqg n LEU 22 CO 0.00 -0.11 0.00 -1.20 -1.33 0.00 0.00 177.39 174.75 2wqg n SER 23 N -0.84 0.00 0.00 -1.43 7.64 -1.24 -4.97 113.62 112.78 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 -1.65 0.08 -0.76 0.44 0.24 -1.26 -4.42 118.33 111.00 2wqg n VAL 24 Ca 0.00 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 61.77 2wqg n VAL 24 Cb 0.00 1.43 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.04 2.51 0.00 7.63 0.00 -1.26 -4.01 105.19 110.02 2wqg n GLY 25 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 4.17 -0.78 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.16 2wqg n GLY 26 Ca 0.40 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.11 0.00 -0.05 0.99 -0.00 -1.26 -4.92 117.00 111.65 2wqg n LEU 27 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 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 -0.46 -0.64 1.96 3.64 -1.95 2.50 116.57 121.63 2wqg h LYS 28 Ca 0.00 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2wqg h LYS 28 Cb 0.00 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 2wqg h LYS 28 CO 0.00 -0.30 0.26 -0.97 -2.27 0.00 0.00 179.45 176.17 2wqg h ASN 29 N -0.47 0.29 0.37 4.20 -1.24 -1.96 0.33 115.58 117.09 2wqg h ASN 29 Ca 0.08 0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.09 2wqg h ASN 29 Cb 0.63 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 2wqg h ASN 29 CO -0.48 0.17 -0.32 -0.33 -1.29 0.00 0.00 177.43 175.18 2wqg h GLU 30 N 0.46 0.00 -0.08 6.67 4.39 -1.43 -1.71 114.58 122.88 2wqg h GLU 30 Ca 0.32 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.98 2wqg h GLU 30 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2wqg h GLU 30 CO -0.30 0.32 -0.11 -1.49 -1.16 0.00 0.00 179.01 176.27 2wqg h TRP 31 N 0.00 0.27 -0.46 4.33 6.55 0.78 0.75 115.95 128.16 2wqg h TRP 31 Ca -0.00 -0.09 -0.04 0.00 0.95 0.00 0.00 58.89 59.71 2wqg h TRP 31 Cb 0.59 -0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 28.81 2wqg h TRP 31 CO 0.00 0.69 0.13 -0.24 -1.05 0.00 0.00 178.44 177.97 2wqg h VAL 32 N -0.23 1.19 0.06 1.49 3.04 -0.54 0.32 116.25 121.59 2wqg h VAL 32 Ca 0.01 -0.68 -0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2wqg h VAL 32 Cb 0.66 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2wqg h VAL 32 CO 0.03 0.25 -0.03 1.56 -1.01 0.00 0.00 177.57 178.37 2wqg h GLN 33 N 0.67 -0.08 -0.61 4.17 1.08 -1.21 0.67 115.11 119.81 2wqg h GLN 33 Ca 0.15 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.27 2wqg h GLN 33 Cb 0.22 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2wqg h GLN 33 CO -0.01 0.30 0.01 0.07 -0.95 0.00 0.00 178.83 178.26 2wqg h ARG 34 N -0.47 1.05 0.15 1.46 0.11 -0.63 -1.09 114.38 114.95 2wqg h ARG 34 Ca -0.01 -0.32 -0.01 0.00 0.10 0.00 0.00 59.98 59.74 2wqg h ARG 34 Cb 0.41 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.39 2wqg h ARG 34 CO 0.01 1.02 -0.07 -0.07 0.10 0.00 0.00 179.97 180.96 2wqg h LEU 35 N 0.97 -0.17 -1.24 0.08 3.38 -0.37 0.33 115.31 118.29 2wqg h LEU 35 Ca 0.18 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.13 2wqg h LEU 35 Cb 0.54 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2wqg h LEU 35 CO 0.03 0.04 0.58 0.40 0.09 0.00 0.00 178.44 179.58 2wqg h ILE 36 N -0.38 0.87 -0.04 1.22 2.04 -0.77 0.41 117.51 120.86 2wqg h ILE 36 Ca -0.02 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 2wqg h ILE 36 Cb 0.30 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2wqg h ILE 36 CO 0.03 0.14 -0.63 0.11 0.00 0.00 0.00 178.15 177.80 2wqg h LYS 37 N 0.76 0.16 -0.31 2.37 1.57 -0.80 0.30 116.57 120.62 2wqg h LYS 37 Ca 0.45 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 59.03 2wqg h LYS 37 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2wqg h LYS 37 CO -0.21 0.73 -0.11 0.22 -0.57 0.00 0.00 179.45 179.51 2wqg h ASP 38 N 0.12 0.64 1.34 0.86 3.58 0.37 -2.22 116.42 121.10 2wqg h ASP 38 Ca -0.01 -0.39 -0.09 0.00 0.42 0.00 0.00 57.03 56.97 2wqg h ASP 38 Cb 1.13 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 2wqg h ASP 38 CO 0.09 0.88 -0.42 0.44 -2.88 0.00 0.00 179.24 177.35 2wqg h ASP 39 N 0.39 0.00 1.38 2.28 5.19 -0.68 -3.12 116.42 121.86 2wqg h ASP 39 Ca 0.07 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2wqg h ASP 39 Cb 0.62 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 2wqg h ASP 39 CO 0.04 0.42 -0.14 -0.33 -3.12 0.00 0.00 179.24 176.11 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 5.08 -0.80 -3.12 114.58 119.30 2wqg h GLU 40 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wqg h GLU 40 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wqg h GLU 40 CO 0.05 0.14 0.25 0.93 -1.00 0.00 0.00 179.01 179.38 2wqg h GLU 41 N 0.00 0.00 -1.78 2.33 5.08 -1.34 -3.16 114.58 115.71 2wqg h GLU 41 Ca -0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 2wqg h GLU 41 Cb 0.87 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.82 2wqg h GLU 41 CO 0.02 0.00 -0.81 -1.13 -1.00 0.00 0.00 179.01 176.09 2wqg n SER 42 N -2.59 -1.50 -1.57 1.42 3.41 -1.18 -4.90 113.62 106.70 2wqg n SER 42 Ca -0.02 -2.62 -0.06 0.00 -0.26 0.00 0.00 58.87 55.92 2wqg n SER 42 Cb 0.29 0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.55 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2wqg n LYS 43 N 2.69 1.28 0.00 4.33 4.81 -1.20 -4.28 118.16 125.79 2wqg n LYS 43 Ca 0.24 -0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.12 2wqg n LYS 43 Cb 0.52 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 0.94 0.66 1.98 3.14 0.00 -1.26 -5.06 105.19 105.59 2wqg n GLY 44 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 -2.99 1.61 1.02 -1.26 -5.05 120.64 113.97 2wqg n GLU 45 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2wqg n GLU 45 Cb 0.00 -0.01 -0.01 0.00 -0.02 0.00 0.00 31.44 31.40 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wqg s SER 46 N -5.01 -0.95 0.60 1.62 0.01 -1.26 -5.13 113.70 103.58 2wqg s SER 46 Ca 0.00 -1.62 -0.19 0.00 1.31 0.00 0.00 55.95 55.45 2wqg s SER 46 Cb 0.00 1.56 -0.03 0.00 0.21 0.00 0.00 66.02 67.76 2wqg s SER 46 CO 0.00 -0.11 1.26 -1.83 0.41 0.00 0.00 173.24 172.97 2wqg s GLU 47 N 1.08 2.85 0.03 12.44 4.04 -1.26 -4.72 118.70 133.15 2wqg s GLU 47 Ca 0.26 1.98 -0.27 0.00 0.04 0.00 0.00 54.97 56.97 2wqg s GLU 47 Cb -0.02 -1.95 -0.05 0.00 0.02 0.00 0.00 34.13 32.13 2wqg s GLU 47 CO -0.07 -1.35 0.85 0.14 -1.84 0.00 0.00 175.26 173.00 2wqg s VAL 48 N -1.47 4.77 -0.28 1.83 -7.23 -1.26 -5.04 120.40 111.72 2wqg s VAL 48 Ca 0.78 1.81 -0.19 0.00 -1.81 0.00 0.00 61.98 62.57 2wqg s VAL 48 Cb -0.35 -4.20 0.08 0.00 0.56 0.00 0.00 36.38 32.47 2wqg s VAL 48 CO 0.38 0.28 0.73 -0.55 -0.31 0.00 0.00 175.10 175.63 2wqg s SER 49 N 0.39 -0.84 -1.00 4.85 0.15 -1.26 -5.06 113.70 110.93 2wqg s SER 49 Ca 0.44 1.43 -0.08 0.00 0.70 0.00 0.00 55.95 58.44 2wqg s SER 49 Cb -0.21 1.39 -0.15 0.00 -1.71 0.00 0.00 66.02 65.34 2wqg s SER 49 CO 0.25 -0.23 3.14 -0.81 1.20 0.00 0.00 173.24 176.79 2wqg n PRO 50 N 3.67 2.99 -0.42 5.44 -0.04 -1.26 -5.28 135.00 140.10 2wqg n PRO 50 Ca -0.18 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 2wqg n PRO 50 Cb 0.57 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2wqg n PRO 50 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50