#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 1.09 0.00 1.61 2.88 -1.26 -5.07 113.62 112.87 2wqg n SER 2 Ca 0.00 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2wqg n SER 2 Cb 0.00 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wqg n ALA 3 N -3.22 0.60 -3.85 -1.46 0.00 -1.26 -5.04 120.51 106.28 2wqg n ALA 3 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 2wqg n ALA 3 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.65 2wqg n ALA 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wqg n ASP 4 N -0.61 -1.49 -0.02 0.00 2.03 -1.26 -4.80 116.55 110.39 2wqg n ASP 4 Ca 0.00 -0.89 0.13 0.00 0.52 0.00 0.00 54.79 54.55 2wqg n ASP 4 Cb 0.00 -3.62 0.56 0.00 -0.72 0.00 0.00 41.12 37.34 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 -1.87 0.28 -0.46 -0.67 -1.99 -1.95 -0.66 116.97 109.65 2wqg h TYR 5 Ca -0.61 0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.26 2wqg h TYR 5 Cb 1.37 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.99 2wqg h TYR 5 CO 0.50 0.14 0.57 1.03 -0.00 0.00 0.00 178.16 180.40 2wqg h SER 6 N 0.27 0.00 0.00 3.88 0.87 -1.90 0.35 113.55 117.02 2wqg h SER 6 Ca 0.24 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.67 2wqg h SER 6 Cb 0.57 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2wqg h SER 6 CO -0.05 0.00 -2.00 -0.24 -0.53 0.00 0.00 176.83 174.01 2wqg n SER 7 N -3.51 0.67 -3.66 6.23 2.88 -0.28 -4.99 113.62 110.97 2wqg n SER 7 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2wqg n SER 7 Cb 0.75 1.51 0.00 0.00 -0.75 0.00 0.00 64.21 65.72 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 -2.35 0.00 -4.57 2.46 4.32 0.12 -5.04 117.00 111.94 2wqg n LEU 8 Ca -0.13 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.61 2wqg n LEU 8 Cb 0.72 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.43 2wqg n LEU 8 CO 0.39 -0.83 -0.40 0.28 -1.22 0.00 0.00 177.39 175.61 2wqg s THR 9 N -0.34 3.14 0.45 -5.08 -1.32 -1.26 -5.01 115.64 106.21 2wqg s THR 9 Ca 0.00 -1.88 0.12 0.00 -1.21 0.00 0.00 61.69 58.71 2wqg s THR 9 Cb 0.00 -2.61 0.24 0.00 -1.51 0.00 0.00 72.50 68.62 2wqg s THR 9 CO 0.00 -0.25 2.06 -0.37 -2.21 0.00 0.00 174.62 173.85 2wqg h VAL 10 N 2.39 1.08 -0.22 5.08 -1.51 -1.96 0.13 116.25 121.24 2wqg h VAL 10 Ca -0.45 -0.28 -0.08 0.00 -1.23 0.00 0.00 66.70 64.66 2wqg h VAL 10 Cb 1.23 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2wqg h VAL 10 CO 0.57 0.10 -0.19 -0.37 -1.23 0.00 0.00 177.57 176.45 2wqg h VAL 11 N 0.22 1.32 -0.14 7.19 -1.51 -1.99 -1.92 116.25 119.42 2wqg h VAL 11 Ca 0.06 -1.33 -0.20 0.00 -1.23 0.00 0.00 66.70 64.00 2wqg h VAL 11 Cb 0.09 1.68 0.01 0.00 -2.13 0.00 0.00 31.29 30.94 2wqg h VAL 11 CO -0.00 0.41 -0.68 1.56 -1.23 0.00 0.00 177.57 177.62 2wqg h GLN 12 N 0.22 0.72 0.28 5.19 7.50 -1.89 -0.97 115.11 126.15 2wqg h GLN 12 Ca 0.04 -0.58 0.00 0.00 0.50 0.00 0.00 58.65 58.61 2wqg h GLN 12 Cb 0.72 0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.35 2wqg h GLN 12 CO 0.05 1.19 -0.32 -0.07 -1.50 0.00 0.00 178.83 178.18 2wqg h LEU 13 N 0.42 -0.89 -0.81 1.46 4.07 -0.76 0.21 115.31 119.02 2wqg h LEU 13 Ca -0.04 0.08 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 2wqg h LEU 13 Cb 1.32 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 43.36 2wqg h LEU 13 CO 0.14 -0.45 -0.48 0.07 -1.08 0.00 0.00 178.44 176.64 2wqg h LYS 14 N -0.65 0.27 0.08 1.13 2.10 -1.43 -0.13 116.57 117.94 2wqg h LYS 14 Ca -0.01 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2wqg h LYS 14 Cb 0.61 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2wqg h LYS 14 CO -0.09 0.70 -0.04 0.22 -2.00 0.00 0.00 179.45 178.24 2wqg h ASP 15 N 0.21 -0.09 0.21 7.07 -0.00 -0.83 -1.25 116.42 121.75 2wqg h ASP 15 Ca 0.01 -0.13 -0.08 0.00 -0.00 0.00 0.00 57.03 56.83 2wqg h ASP 15 Cb 0.94 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.28 2wqg h ASP 15 CO 0.08 0.08 -0.30 0.17 -0.00 0.00 0.00 179.24 179.27 2wqg h LEU 16 N -0.26 0.14 0.52 2.28 -0.00 -0.55 -1.91 115.31 115.53 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 0.22 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.84 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 0.13 -0.77 -1.35 0.17 3.38 -0.50 0.64 115.31 117.00 2wqg h LEU 17 Ca 0.02 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2wqg h LEU 17 Cb 0.60 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2wqg h LEU 17 CO 0.04 -0.49 -0.16 0.00 0.09 0.00 0.00 178.44 177.92 2wqg h THR 18 N -0.78 1.19 0.00 0.22 1.03 -1.18 -0.57 112.91 112.82 2wqg h THR 18 Ca -0.06 -0.86 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 2wqg h THR 18 Cb 0.63 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 2wqg h THR 18 CO 0.07 0.27 0.00 0.11 -0.01 0.00 0.00 175.52 175.96 2wqg h LYS 19 N 0.22 0.00 0.00 0.00 1.57 -0.82 -2.95 116.57 114.59 2wqg h LYS 19 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2wqg h LYS 19 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2wqg h LYS 19 CO 0.03 0.00 -0.54 -2.13 -0.57 0.00 0.00 179.45 176.24 2wqg n ARG 20 N -2.47 0.22 0.00 3.15 0.63 0.22 -4.94 116.66 113.47 2wqg n ARG 20 Ca 0.03 0.07 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 31.62 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 -1.97 0.00 0.00 6.15 3.02 -1.08 -5.04 115.26 116.34 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 -1.08 -5.00 117.00 119.09 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 0.44 -1.20 -1.33 0.00 0.00 177.39 175.30 2wqg n SER 23 N 0.00 -1.20 0.00 -1.43 7.64 -1.25 -4.73 113.62 112.65 2wqg n SER 23 Ca 0.00 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.17 2wqg n SER 23 Cb 0.00 1.97 0.00 0.00 -1.01 0.00 0.00 64.21 65.17 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 -0.41 0.02 -0.74 0.44 0.24 -1.26 -4.50 118.33 112.12 2wqg n VAL 24 Ca -0.03 -0.29 -0.25 0.00 -2.04 0.00 0.00 64.34 61.73 2wqg n VAL 24 Cb 0.36 1.42 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 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 -0.01 2.78 0.00 7.63 0.00 -1.26 -4.04 105.19 110.29 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 3.99 -0.55 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.21 2wqg n GLY 26 Ca 0.41 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.09 0.00 -0.04 0.99 -0.00 -1.26 -4.92 117.00 111.68 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 -0.08 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 -0.47 -0.62 1.96 3.64 -1.95 2.66 116.57 121.78 2wqg h LYS 28 Ca 0.00 0.03 0.09 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 31.86 2wqg h LYS 28 CO 0.00 -0.31 0.25 -0.97 -2.27 0.00 0.00 179.45 176.15 2wqg h ASN 29 N -0.49 0.28 0.36 4.20 -1.24 -1.96 0.31 115.58 117.05 2wqg h ASN 29 Ca 0.07 0.07 -0.06 0.00 0.71 0.00 0.00 56.30 57.09 2wqg h ASN 29 Cb 0.64 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 2wqg h ASN 29 CO -0.47 0.17 -0.30 -0.33 -1.29 0.00 0.00 177.43 175.20 2wqg h GLU 30 N 0.45 0.00 -0.10 6.67 4.39 -1.45 -1.74 114.58 122.80 2wqg h GLU 30 Ca 0.31 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 2wqg h GLU 30 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2wqg h GLU 30 CO -0.29 0.30 -0.17 -1.49 -1.16 0.00 0.00 179.01 176.21 2wqg h TRP 31 N 0.00 0.37 -0.46 4.33 6.55 0.80 -0.06 115.95 127.48 2wqg h TRP 31 Ca -0.00 -0.13 -0.04 0.00 0.95 0.00 0.00 58.89 59.67 2wqg h TRP 31 Cb 0.57 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.78 2wqg h TRP 31 CO 0.00 0.77 0.11 -0.24 -1.05 0.00 0.00 178.44 178.03 2wqg h VAL 32 N -0.15 1.20 0.07 1.49 3.04 -0.46 0.15 116.25 121.59 2wqg h VAL 32 Ca 0.01 -0.73 -0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2wqg h VAL 32 Cb 0.74 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2wqg h VAL 32 CO 0.04 0.27 -0.03 1.56 -1.01 0.00 0.00 177.57 178.39 2wqg h GLN 33 N 0.67 -0.09 -0.64 4.17 7.50 -1.23 0.23 115.11 125.72 2wqg h GLN 33 Ca 0.15 0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.25 2wqg h GLN 33 Cb 0.26 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.78 2wqg h GLN 33 CO -0.00 0.28 0.17 0.07 -1.50 0.00 0.00 178.83 177.85 2wqg h ARG 34 N -0.47 1.01 0.14 1.46 0.11 -0.81 -1.14 114.38 114.69 2wqg h ARG 34 Ca -0.01 -0.24 -0.01 0.00 0.10 0.00 0.00 59.98 59.83 2wqg h ARG 34 Cb 0.41 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2wqg h ARG 34 CO 0.01 0.91 -0.07 -0.07 0.10 0.00 0.00 179.97 180.85 2wqg h LEU 35 N 0.93 -0.16 -1.23 0.08 3.38 -0.72 0.14 115.31 117.74 2wqg h LEU 35 Ca 0.20 -0.14 0.14 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 41.06 2wqg h LEU 35 CO -0.00 0.05 0.59 0.40 0.09 0.00 0.00 178.44 179.56 2wqg h ILE 36 N -0.37 0.85 -0.04 1.22 2.04 -0.85 0.35 117.51 120.71 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 0.29 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 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 -0.33 2.37 1.63 -0.87 -0.76 116.57 119.51 2wqg h LYS 37 Ca 0.46 -0.10 -0.06 0.00 -0.85 0.00 0.00 60.65 60.10 2wqg h LYS 37 Cb 0.67 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 2wqg h LYS 37 CO -0.22 0.71 -0.03 0.22 -3.45 0.00 0.00 179.45 176.68 2wqg h ASP 38 N 0.11 0.60 0.55 4.20 1.82 0.24 0.51 116.42 124.45 2wqg h ASP 38 Ca -0.01 -0.33 -0.15 0.00 -0.39 0.00 0.00 57.03 56.15 2wqg h ASP 38 Cb 1.11 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.94 2wqg h ASP 38 CO 0.09 0.79 -0.69 0.44 -1.61 0.00 0.00 179.24 178.26 2wqg h ASP 39 N 0.40 0.14 1.80 2.28 3.32 -0.94 -2.99 116.42 120.43 2wqg h ASP 39 Ca 0.09 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2wqg h ASP 39 Cb 0.50 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2wqg h ASP 39 CO 0.02 0.78 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.80 2wqg h GLU 40 N 0.08 0.00 -0.02 3.56 5.08 -0.98 -3.27 114.58 119.03 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 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wqg h GLU 40 CO 0.10 0.13 0.46 1.49 -1.00 0.00 0.00 179.01 180.18 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 4.81 0.18 0.62 114.58 122.51 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 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2wqg h GLU 41 CO 0.02 0.00 -1.36 -1.13 -0.73 0.00 0.00 179.01 175.81 2wqg n SER 42 N -2.84 0.93 -2.34 1.04 3.41 -1.23 -4.98 113.62 107.60 2wqg n SER 42 Ca -0.01 -0.39 -0.12 0.00 -0.26 0.00 0.00 58.87 58.09 2wqg n SER 42 Cb 0.50 1.45 -0.01 0.00 -0.26 0.00 0.00 64.21 65.89 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 -1.79 -2.15 0.00 4.33 4.81 0.22 -4.63 118.16 118.94 2wqg n LYS 43 Ca -0.00 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2wqg n LYS 43 Cb 0.37 -5.16 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 -0.75 1.02 7.00 3.14 0.00 -1.26 -4.97 105.19 109.37 2wqg n GLY 44 Ca -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 0.00 -1.88 1.61 2.13 -1.26 -3.96 120.64 117.28 2wqg n GLU 45 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 2wqg n GLU 45 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 2wqg n GLU 45 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wqg n SER 46 N -3.01 2.78 0.00 4.31 2.88 -1.26 -3.73 113.62 115.60 2wqg n SER 46 Ca 0.00 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 2wqg n SER 46 Cb 0.00 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 61.81 2wqg n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2wqg n GLU 47 N 8.11 0.00 -3.20 -1.46 -0.58 -1.25 -5.10 120.64 117.15 2wqg n GLU 47 Ca 0.45 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.80 2wqg n GLU 47 Cb 0.46 -0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.27 2wqg n GLU 47 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wqg s VAL 48 N -1.99 5.05 -0.30 2.62 0.11 -1.24 -5.05 120.40 119.61 2wqg s VAL 48 Ca 0.00 1.19 -0.03 0.00 -2.93 0.00 0.00 61.98 60.21 2wqg s VAL 48 Cb 0.00 -3.92 0.10 0.00 -1.53 0.00 0.00 36.38 31.04 2wqg s VAL 48 CO 0.00 0.34 0.12 -0.44 -3.33 0.00 0.00 175.10 171.79 2wqg s SER 49 N 0.38 3.67 -0.62 3.54 0.01 -1.26 -5.01 113.70 114.40 2wqg s SER 49 Ca 0.31 -1.44 -0.18 0.00 1.31 0.00 0.00 55.95 55.95 2wqg s SER 49 Cb -0.17 -0.51 -0.16 0.00 0.21 0.00 0.00 66.02 65.39 2wqg s SER 49 CO 0.15 -0.43 1.84 -0.81 0.41 0.00 0.00 173.24 174.40 2wqg n PRO 50 N 5.07 1.28 0.00 12.44 -0.04 -1.26 -5.32 135.00 147.18 2wqg n PRO 50 Ca -0.04 -1.52 0.15 0.00 -0.04 0.00 0.00 63.50 62.04 2wqg n PRO 50 Cb 0.42 -2.68 0.64 0.00 -0.04 0.00 0.00 33.50 31.84 2wqg n PRO 50 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40