#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 -2.70 0.00 1.61 7.64 -1.26 -5.03 113.62 113.88 2wqg n SER 2 Ca 0.00 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2wqg n SER 2 Cb 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wqg n ALA 3 N -3.91 0.00 -3.87 -0.43 0.00 -1.26 -4.95 120.51 106.09 2wqg n ALA 3 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 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 -0.38 -1.42 -0.02 0.00 -0.08 -1.26 -4.80 116.55 108.59 2wqg n ASP 4 Ca 0.00 -0.90 0.14 0.00 -1.51 0.00 0.00 54.79 52.51 2wqg n ASP 4 Cb 0.00 -3.54 0.56 0.00 2.34 0.00 0.00 41.12 40.49 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 -1.86 0.28 -0.50 -0.67 -1.99 -1.92 -0.73 116.97 109.58 2wqg h TYR 5 Ca -0.61 0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.27 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 0.13 0.60 1.03 -0.00 0.00 0.00 178.16 180.42 2wqg h SER 6 N 0.26 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 -0.11 0.00 -1.23 0.00 0.00 61.79 60.69 2wqg h SER 6 Cb 0.60 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 2wqg h SER 6 CO -0.05 0.00 -1.96 -1.20 -0.53 0.00 0.00 176.83 173.09 2wqg n SER 7 N -3.54 0.81 -3.71 6.23 7.64 -0.30 -4.99 113.62 115.77 2wqg n SER 7 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2wqg n SER 7 Cb 0.80 1.51 0.00 0.00 -1.01 0.00 0.00 64.21 65.50 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 -2.32 0.00 -4.62 -3.43 4.32 0.12 -5.04 117.00 106.04 2wqg n LEU 8 Ca -0.12 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.63 2wqg n LEU 8 Cb 0.69 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.41 2wqg n LEU 8 CO 0.38 -0.77 -0.35 0.28 -1.22 0.00 0.00 177.39 175.71 2wqg s THR 9 N -0.27 3.36 0.41 -5.08 -1.32 -1.26 -5.02 115.64 106.46 2wqg s THR 9 Ca 0.00 -1.90 0.12 0.00 -1.21 0.00 0.00 61.69 58.69 2wqg s THR 9 Cb 0.00 -2.77 0.17 0.00 -1.51 0.00 0.00 72.50 68.38 2wqg s THR 9 CO 0.00 -0.34 1.94 -0.37 -2.21 0.00 0.00 174.62 173.65 2wqg h VAL 10 N 2.04 1.16 -0.18 5.08 -1.51 -1.96 0.93 116.25 121.82 2wqg h VAL 10 Ca -0.44 -0.74 -0.10 0.00 -1.23 0.00 0.00 66.70 64.18 2wqg h VAL 10 Cb 1.24 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2wqg h VAL 10 CO 0.59 0.22 -0.29 -0.37 -1.23 0.00 0.00 177.57 176.50 2wqg h VAL 11 N 0.12 1.35 -0.09 7.19 -1.51 -1.98 -1.93 116.25 119.40 2wqg h VAL 11 Ca 0.02 -1.52 -0.19 0.00 -1.23 0.00 0.00 66.70 63.79 2wqg h VAL 11 Cb 0.37 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2wqg h VAL 11 CO 0.02 0.46 -0.72 1.56 -1.23 0.00 0.00 177.57 177.66 2wqg h GLN 12 N 0.15 0.45 0.53 5.19 4.20 -1.92 -0.68 115.11 123.02 2wqg h GLN 12 Ca 0.01 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 2wqg h GLN 12 Cb 0.87 0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.73 2wqg h GLN 12 CO 0.07 1.00 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.90 2wqg h LEU 13 N 0.31 -0.60 -1.04 1.46 4.07 -0.82 -0.41 115.31 118.29 2wqg h LEU 13 Ca -0.03 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.80 2wqg h LEU 13 Cb 1.30 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 43.18 2wqg h LEU 13 CO 0.13 -0.34 -0.48 0.07 -1.08 0.00 0.00 178.44 176.74 2wqg h LYS 14 N -0.83 0.00 0.08 1.13 2.10 -1.42 -0.53 116.57 117.10 2wqg h LYS 14 Ca -0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2wqg h LYS 14 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2wqg h LYS 14 CO 0.12 0.48 -0.04 0.22 -2.00 0.00 0.00 179.45 178.23 2wqg h ASP 15 N 0.00 -0.09 0.25 7.07 3.58 -0.99 -1.53 116.42 124.71 2wqg h ASP 15 Ca -0.00 -0.20 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 2wqg h ASP 15 Cb 0.85 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2wqg h ASP 15 CO 0.06 0.15 -0.32 0.17 -2.88 0.00 0.00 179.24 176.41 2wqg h LEU 16 N -0.33 0.12 0.54 2.28 -0.00 -1.02 -1.67 115.31 115.23 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 0.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2wqg h LEU 16 CO 0.02 0.44 -0.32 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.10 -0.81 -1.28 0.17 3.38 -0.72 0.61 115.31 116.77 2wqg h LEU 17 Ca 0.01 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2wqg h LEU 17 Cb 0.63 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2wqg h LEU 17 CO 0.05 -0.51 -0.25 0.00 0.09 0.00 0.00 178.44 177.81 2wqg h THR 18 N -0.82 1.23 0.00 0.22 1.03 -1.23 -0.92 112.91 112.42 2wqg h THR 18 Ca -0.06 -1.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.28 2wqg h THR 18 Cb 0.66 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.18 2wqg h THR 18 CO 0.07 0.32 0.00 0.11 -0.01 0.00 0.00 175.52 176.01 2wqg h LYS 19 N 0.15 0.00 0.00 0.00 1.57 -0.82 -2.93 116.57 114.54 2wqg h LYS 19 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2wqg h LYS 19 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2wqg h LYS 19 CO 0.04 0.00 -0.70 0.54 -0.57 0.00 0.00 179.45 178.76 2wqg n ARG 20 N -2.37 0.23 0.00 3.15 3.00 0.21 -4.94 116.66 115.94 2wqg n ARG 20 Ca 0.04 0.04 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 2wqg n ARG 20 Cb 0.34 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.18 2wqg n ARG 20 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2wqg n ASN 21 N -1.94 0.00 0.00 0.55 2.85 -1.07 -5.04 115.26 110.62 2wqg n ASN 21 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 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 0.00 0.00 1.20 4.77 -1.05 -4.99 117.00 116.93 2wqg n LEU 22 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 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 0.52 -1.20 -1.33 0.00 0.00 177.39 175.38 2wqg n SER 23 N 0.00 -1.45 0.00 -1.43 7.64 -1.25 -4.73 113.62 112.40 2wqg n SER 23 Ca 0.00 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.01 2wqg n SER 23 Cb 0.00 2.38 0.00 0.00 -1.01 0.00 0.00 64.21 65.58 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 -0.48 0.06 -0.74 0.44 0.24 -1.26 -4.52 118.33 112.06 2wqg n VAL 24 Ca -0.03 -0.33 -0.25 0.00 -2.04 0.00 0.00 64.34 61.69 2wqg n VAL 24 Cb 0.43 1.34 -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 -0.03 2.73 0.00 7.63 0.00 -1.26 -4.05 105.19 110.21 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 4.02 -0.54 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.25 2wqg n GLY 26 Ca 0.40 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.00 0.00 -0.02 0.99 -0.00 -1.26 -4.92 117.00 111.80 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 -0.66 1.96 3.64 -1.95 2.59 116.57 121.63 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 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 2wqg h LYS 28 CO 0.00 -0.34 0.32 -2.95 -2.27 0.00 0.00 179.45 174.22 2wqg h ASN 29 N -0.53 0.43 0.34 4.20 -1.07 -1.96 0.28 115.58 117.27 2wqg h ASN 29 Ca 0.06 0.05 -0.06 0.00 0.07 0.00 0.00 56.30 56.42 2wqg h ASN 29 Cb 0.66 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.88 2wqg h ASN 29 CO -0.44 0.26 -0.29 -0.33 0.07 0.00 0.00 177.43 176.69 2wqg h GLU 30 N 0.57 0.00 -0.09 4.14 4.39 -1.49 -1.76 114.58 120.35 2wqg h GLU 30 Ca 0.32 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.95 2wqg h GLU 30 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2wqg h GLU 30 CO -0.25 0.29 -0.23 -1.49 -1.16 0.00 0.00 179.01 176.18 2wqg h TRP 31 N 0.00 0.40 -0.48 4.33 6.55 0.76 -0.70 115.95 126.81 2wqg h TRP 31 Ca -0.00 -0.15 -0.04 0.00 0.95 0.00 0.00 58.89 59.64 2wqg h TRP 31 Cb 0.54 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 2wqg h TRP 31 CO 0.00 0.84 0.13 -0.24 -1.05 0.00 0.00 178.44 178.12 2wqg h VAL 32 N -0.16 1.20 0.07 1.49 3.04 -0.49 0.18 116.25 121.58 2wqg h VAL 32 Ca -0.00 -0.71 -0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2wqg h VAL 32 Cb 0.84 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2wqg h VAL 32 CO 0.05 0.26 -0.03 1.56 -1.01 0.00 0.00 177.57 178.40 2wqg h GLN 33 N 0.69 -0.09 -0.59 4.17 1.08 -1.27 0.36 115.11 119.46 2wqg h GLN 33 Ca 0.16 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 2wqg h GLN 33 Cb 0.24 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2wqg h GLN 33 CO -0.00 0.26 0.15 0.07 -0.95 0.00 0.00 178.83 178.35 2wqg h ARG 34 N -0.46 0.94 0.13 1.46 0.11 -0.93 -1.16 114.38 114.48 2wqg h ARG 34 Ca -0.01 -0.22 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 2wqg h ARG 34 Cb 0.40 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2wqg h ARG 34 CO 0.02 0.87 -0.06 -0.07 0.10 0.00 0.00 179.97 180.82 2wqg h LEU 35 N 0.85 -0.15 -1.25 0.08 3.38 -0.65 0.20 115.31 117.76 2wqg h LEU 35 Ca 0.19 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.19 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 0.01 0.58 0.40 0.09 0.00 0.00 178.44 179.52 2wqg h ILE 36 N -0.31 0.86 -0.04 1.22 2.04 -0.82 0.46 117.51 120.92 2wqg h ILE 36 Ca -0.02 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 2wqg h ILE 36 Cb 0.25 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2wqg h ILE 36 CO 0.03 0.13 -0.61 0.11 0.00 0.00 0.00 178.15 177.82 2wqg h LYS 37 N 0.74 0.15 -0.10 2.37 1.57 -0.77 -1.06 116.57 119.48 2wqg h LYS 37 Ca 0.45 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 2wqg h LYS 37 Cb 0.66 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2wqg h LYS 37 CO -0.21 0.71 -0.06 0.22 -0.57 0.00 0.00 179.45 179.55 2wqg h ASP 38 N 0.11 0.21 -0.20 0.86 3.58 0.29 0.57 116.42 121.85 2wqg h ASP 38 Ca -0.01 -0.43 -0.07 0.00 0.42 0.00 0.00 57.03 56.94 2wqg h ASP 38 Cb 1.10 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 2wqg h ASP 38 CO 0.09 0.60 -0.10 -0.78 -2.88 0.00 0.00 179.24 176.16 2wqg h ASP 39 N -0.17 0.56 1.74 2.28 3.58 -0.44 -2.34 116.42 121.63 2wqg h ASP 39 Ca 0.02 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 2wqg h ASP 39 Cb 0.52 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2wqg h ASP 39 CO 0.02 0.70 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.48 2wqg h GLU 40 N 0.53 0.00 0.00 0.28 4.39 -1.11 -3.26 114.58 115.41 2wqg h GLU 40 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2wqg h GLU 40 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2wqg h GLU 40 CO 0.03 0.15 0.38 1.49 -1.16 0.00 0.00 179.01 179.90 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 4.81 0.74 0.20 114.58 122.67 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 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2wqg h GLU 41 CO 0.02 0.00 -0.39 -1.13 -0.73 0.00 0.00 179.01 176.78 2wqg n SER 42 N -2.83 0.62 -1.96 1.04 3.41 -1.23 -3.98 113.62 108.69 2wqg n SER 42 Ca -0.02 -0.58 -0.16 0.00 -0.26 0.00 0.00 58.87 57.85 2wqg n SER 42 Cb 0.42 1.03 -0.04 0.00 -0.26 0.00 0.00 64.21 65.36 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 -1.20 -1.67 -2.48 4.33 0.00 0.71 -1.12 118.16 116.73 2wqg n LYS 43 Ca 0.01 0.88 -0.20 0.00 0.00 0.00 0.00 58.31 59.00 2wqg n LYS 43 Cb 0.10 -5.35 -0.00 0.00 0.00 0.00 0.00 35.03 29.78 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 -0.61 -0.50 1.83 3.14 0.00 -1.26 -4.77 105.19 103.02 2wqg n GLY 44 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.09 0.00 -3.76 1.61 -0.58 -0.27 -5.13 120.64 109.42 2wqg n GLU 45 Ca -0.21 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.40 2wqg n GLU 45 Cb 0.67 -0.09 -0.11 0.00 -0.57 0.00 0.00 31.44 31.34 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2wqg s SER 46 N -5.15 -0.34 0.27 1.62 0.01 -0.71 -5.13 113.70 104.28 2wqg s SER 46 Ca 0.00 0.64 -0.21 0.00 1.31 0.00 0.00 55.95 57.69 2wqg s SER 46 Cb 0.00 0.64 -0.09 0.00 0.21 0.00 0.00 66.02 66.78 2wqg s SER 46 CO 0.00 -0.12 0.80 -1.61 0.41 0.00 0.00 173.24 172.72 2wqg s GLU 47 N 0.31 4.32 0.19 12.44 2.02 -1.26 -4.22 118.70 132.50 2wqg s GLU 47 Ca -0.01 1.00 0.04 0.00 0.02 0.00 0.00 54.97 56.01 2wqg s GLU 47 Cb -0.03 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 2wqg s GLU 47 CO -0.01 0.31 0.30 0.14 0.02 0.00 0.00 175.26 176.03 2wqg s VAL 48 N -1.63 5.21 -0.24 2.63 -7.23 -1.26 -5.02 120.40 112.86 2wqg s VAL 48 Ca 0.47 -0.86 -0.27 0.00 -1.81 0.00 0.00 61.98 59.51 2wqg s VAL 48 Cb -0.16 -3.75 0.14 0.00 0.56 0.00 0.00 36.38 33.17 2wqg s VAL 48 CO 0.21 -0.20 1.10 -0.55 -0.31 0.00 0.00 175.10 175.35 2wqg s SER 49 N -3.55 -0.34 0.00 4.85 0.15 -1.26 -5.02 113.70 108.53 2wqg s SER 49 Ca 0.34 0.54 0.20 0.00 0.70 0.00 0.00 55.95 57.73 2wqg s SER 49 Cb -0.10 0.51 0.87 0.00 -1.71 0.00 0.00 66.02 65.59 2wqg s SER 49 CO 0.28 -0.19 1.62 -0.81 1.20 0.00 0.00 173.24 175.35 2wqg n PRO 50 N 1.49 0.07 0.00 5.44 -0.04 -1.26 -5.33 135.00 135.36 2wqg n PRO 50 Ca -0.10 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2wqg n PRO 50 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2wqg n PRO 50 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50