#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 -0.02 -4.87 1.61 3.41 -1.26 -5.03 113.62 107.47 2wqg n SER 2 Ca 0.00 -2.10 -0.33 0.00 -0.26 0.00 0.00 58.87 56.17 2wqg n SER 2 Cb 0.00 0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 64.66 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wqg s ALA 3 N -2.65 3.62 -0.19 7.33 0.00 -1.26 -4.99 121.76 123.61 2wqg s ALA 3 Ca 0.18 -0.28 0.19 0.00 0.00 0.00 0.00 51.96 52.05 2wqg s ALA 3 Cb 0.01 -2.40 0.42 0.00 0.00 0.00 0.00 23.12 21.14 2wqg s ALA 3 CO 0.13 0.52 1.21 -0.25 0.00 0.00 0.00 175.76 177.36 2wqg n ASP 4 N 0.38 0.51 0.05 0.00 9.92 -1.26 -4.92 116.55 121.23 2wqg n ASP 4 Ca -0.03 -2.06 0.21 0.00 -0.53 0.00 0.00 54.79 52.38 2wqg n ASP 4 Cb 0.52 -0.10 0.73 0.00 -0.64 0.00 0.00 41.12 41.63 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2wqg h TYR 5 N 1.63 0.00 -0.40 1.24 0.05 -1.94 0.16 116.97 117.71 2wqg h TYR 5 Ca -0.27 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.62 2wqg h TYR 5 Cb 1.43 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.15 2wqg h TYR 5 CO 0.23 0.00 0.54 1.03 -1.05 0.00 0.00 178.16 178.91 2wqg h SER 6 N 0.00 0.00 0.11 3.88 0.87 -1.91 0.40 113.55 116.91 2wqg h SER 6 Ca 0.23 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.54 2wqg h SER 6 Cb 1.16 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 2wqg h SER 6 CO -0.00 0.00 -2.13 -1.54 -0.53 0.00 0.00 176.83 172.62 2wqg n SER 7 N -3.47 0.15 -3.21 6.23 3.41 0.04 -4.97 113.62 111.80 2wqg n SER 7 Ca 0.07 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2wqg n SER 7 Cb 0.70 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.66 0.00 -4.62 1.04 4.32 0.14 -5.03 117.00 110.20 2wqg n LEU 8 Ca -0.22 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.51 2wqg n LEU 8 Cb 0.97 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.68 2wqg n LEU 8 CO 0.44 -1.14 -0.37 0.28 -1.22 0.00 0.00 177.39 175.38 2wqg s THR 9 N -0.59 3.45 0.43 -5.08 -1.32 -1.26 -5.00 115.64 106.26 2wqg s THR 9 Ca 0.00 -1.57 0.10 0.00 -1.21 0.00 0.00 61.69 59.00 2wqg s THR 9 Cb 0.00 -2.73 0.28 0.00 -1.51 0.00 0.00 72.50 68.54 2wqg s THR 9 CO 0.00 -0.13 2.05 -0.37 -2.21 0.00 0.00 174.62 173.96 2wqg h VAL 10 N 2.55 1.05 -0.27 5.08 -1.51 -1.95 0.22 116.25 121.41 2wqg h VAL 10 Ca -0.47 -0.16 -0.04 0.00 -1.23 0.00 0.00 66.70 64.80 2wqg h VAL 10 Cb 1.21 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 2wqg h VAL 10 CO 0.56 0.09 0.01 -0.37 -1.23 0.00 0.00 177.57 176.63 2wqg h VAL 11 N 0.47 1.25 -0.14 7.19 -1.51 -1.98 -1.27 116.25 120.26 2wqg h VAL 11 Ca 0.16 -0.90 -0.17 0.00 -1.23 0.00 0.00 66.70 64.56 2wqg h VAL 11 Cb 0.08 1.31 0.01 0.00 -2.13 0.00 0.00 31.29 30.55 2wqg h VAL 11 CO -0.04 0.29 -0.59 1.56 -1.23 0.00 0.00 177.57 177.56 2wqg h GLN 12 N 0.27 0.64 0.28 5.19 7.50 -1.86 -1.02 115.11 126.12 2wqg h GLN 12 Ca 0.08 -0.51 0.00 0.00 0.50 0.00 0.00 58.65 58.73 2wqg h GLN 12 Cb 0.41 0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.02 2wqg h GLN 12 CO 0.01 1.13 -0.33 -0.07 -1.50 0.00 0.00 178.83 178.07 2wqg h LEU 13 N 0.30 -0.90 -0.89 1.46 4.07 -0.55 0.21 115.31 119.01 2wqg h LEU 13 Ca -0.04 0.08 -0.12 0.00 0.08 0.00 0.00 57.88 57.89 2wqg h LEU 13 Cb 1.23 0.31 -0.02 0.00 1.08 0.00 0.00 40.66 43.26 2wqg h LEU 13 CO 0.12 -0.45 -0.56 0.07 -1.08 0.00 0.00 178.44 176.55 2wqg h LYS 14 N -0.65 0.00 0.08 1.13 5.09 -1.31 -0.28 116.57 120.62 2wqg h LYS 14 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.73 2wqg h LYS 14 Cb 0.61 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.94 2wqg h LYS 14 CO -0.09 0.56 -0.04 0.22 -2.09 0.00 0.00 179.45 178.00 2wqg h ASP 15 N 0.00 -0.10 0.16 7.07 -0.00 -0.79 -1.55 116.42 121.21 2wqg h ASP 15 Ca -0.01 -0.22 -0.07 0.00 -0.00 0.00 0.00 57.03 56.73 2wqg h ASP 15 Cb 0.98 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.33 2wqg h ASP 15 CO 0.07 0.16 -0.27 0.17 -0.00 0.00 0.00 179.24 179.38 2wqg h LEU 16 N -0.36 0.19 0.45 2.28 -0.00 -0.58 -1.96 115.31 115.33 2wqg h LEU 16 Ca -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2wqg h LEU 16 Cb 0.31 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 2wqg h LEU 16 CO 0.02 0.46 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.50 2wqg h LEU 17 N 0.17 -0.94 -1.67 0.17 3.38 -0.69 -0.13 115.31 115.61 2wqg h LEU 17 Ca 0.03 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2wqg h LEU 17 Cb 0.57 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2wqg h LEU 17 CO 0.04 -0.52 -0.04 0.00 0.09 0.00 0.00 178.44 178.00 2wqg h THR 18 N -0.80 1.10 -0.48 0.22 1.03 -1.20 -0.37 112.91 112.41 2wqg h THR 18 Ca -0.04 -0.42 0.01 0.00 -0.01 0.00 0.00 66.41 65.95 2wqg h THR 18 Cb 0.69 1.07 -0.02 0.00 -1.07 0.00 0.00 68.15 68.82 2wqg h THR 18 CO -0.01 0.13 0.32 0.11 -0.01 0.00 0.00 175.52 176.06 2wqg h LYS 19 N 0.15 0.60 0.00 0.00 1.57 -0.45 -0.34 116.57 118.10 2wqg h LYS 19 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wqg h LYS 19 Cb 0.18 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2wqg h LYS 19 CO 0.01 0.40 -0.23 0.54 -0.57 0.00 0.00 179.45 179.59 2wqg n ARG 20 N -4.47 0.20 -0.12 3.15 1.74 -0.17 -4.92 116.66 112.07 2wqg n ARG 20 Ca 0.05 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2wqg n ARG 20 Cb 0.08 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wqg n ASN 21 N -2.01 0.00 0.00 0.55 3.02 -0.14 -4.98 115.26 111.70 2wqg n ASN 21 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 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 -1.14 -4.96 117.00 119.08 2wqg n LEU 22 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2wqg n LEU 22 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wqg n LEU 22 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.86 2wqg n SER 23 N -0.45 0.00 0.00 -1.43 7.64 -1.25 -4.97 113.62 113.17 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 -1.43 0.04 -0.72 0.44 0.24 -1.26 -4.45 118.33 111.19 2wqg n VAL 24 Ca 0.00 -0.19 -0.22 0.00 -2.04 0.00 0.00 64.34 61.90 2wqg n VAL 24 Cb 0.00 1.57 -0.02 0.00 -1.47 0.00 0.00 33.84 33.93 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 3.03 0.00 7.63 0.00 -1.26 -4.02 105.19 110.55 2wqg n GLY 25 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 3.80 -0.44 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.11 2wqg n GLY 26 Ca 0.43 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.18 0.00 0.01 0.99 -0.00 -1.26 -4.95 117.00 111.62 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 0.55 0.50 -0.00 0.00 0.00 177.39 178.44 2wqg h LYS 28 N 0.00 -0.55 -0.58 1.96 3.64 -1.96 3.04 116.57 122.12 2wqg h LYS 28 Ca 0.00 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 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 -0.36 0.20 -2.95 -2.27 0.00 0.00 179.45 174.06 2wqg h ASN 29 N -0.57 0.18 0.58 4.20 -1.07 -1.96 0.34 115.58 117.28 2wqg h ASN 29 Ca 0.05 0.08 -0.09 0.00 0.07 0.00 0.00 56.30 56.41 2wqg h ASN 29 Cb 0.67 0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 36.98 2wqg h ASN 29 CO -0.40 0.12 -0.41 1.05 0.07 0.00 0.00 177.43 177.86 2wqg h GLU 30 N 0.37 0.00 -0.04 4.14 -0.00 -1.69 -1.78 114.58 115.58 2wqg h GLU 30 Ca 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.64 2wqg h GLU 30 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.10 2wqg h GLU 30 CO -0.30 0.41 -0.01 -1.49 -0.00 0.00 0.00 179.01 177.61 2wqg h TRP 31 N 0.00 0.08 -0.52 2.06 6.55 0.89 0.15 115.95 125.16 2wqg h TRP 31 Ca -0.00 -0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.80 2wqg h TRP 31 Cb 0.81 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 29.06 2wqg h TRP 31 CO 0.00 0.43 0.24 -0.24 -1.05 0.00 0.00 178.44 177.82 2wqg h VAL 32 N -0.29 1.18 -0.03 1.49 3.04 -0.40 0.29 116.25 121.52 2wqg h VAL 32 Ca 0.01 -0.51 -0.00 0.00 -1.01 0.00 0.00 66.70 65.19 2wqg h VAL 32 Cb 0.40 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2wqg h VAL 32 CO 0.00 0.21 0.00 1.56 -1.01 0.00 0.00 177.57 178.33 2wqg h GLN 33 N 0.73 0.06 -0.57 4.17 1.08 -1.11 0.14 115.11 119.61 2wqg h GLN 33 Ca 0.18 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 2wqg h GLN 33 Cb 0.09 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2wqg h GLN 33 CO -0.02 0.33 0.08 0.07 -0.95 0.00 0.00 178.83 178.34 2wqg h ARG 34 N -0.22 0.95 0.15 1.46 0.11 -0.31 -0.90 114.38 115.62 2wqg h ARG 34 Ca 0.01 -0.26 -0.01 0.00 0.10 0.00 0.00 59.98 59.82 2wqg h ARG 34 Cb 0.31 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2wqg h ARG 34 CO 0.00 0.91 -0.07 -0.07 0.10 0.00 0.00 179.97 180.84 2wqg h LEU 35 N 0.84 -0.18 -1.38 0.08 3.38 -0.38 0.28 115.31 117.94 2wqg h LEU 35 Ca 0.17 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.15 2wqg h LEU 35 Cb 0.43 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2wqg h LEU 35 CO 0.01 -0.01 0.51 0.40 0.09 0.00 0.00 178.44 179.45 2wqg h ILE 36 N -0.34 0.91 -0.04 1.22 2.04 -0.63 0.38 117.51 121.06 2wqg h ILE 36 Ca -0.02 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.47 2wqg h ILE 36 Cb 0.27 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2wqg h ILE 36 CO 0.03 0.12 -0.63 0.50 0.00 0.00 0.00 178.15 178.18 2wqg h LYS 37 N 0.67 0.15 -0.16 2.37 3.64 -0.69 -0.27 116.57 122.27 2wqg h LYS 37 Ca 0.37 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 2wqg h LYS 37 Cb 0.53 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2wqg h LYS 37 CO -0.14 0.72 -0.30 0.22 -2.27 0.00 0.00 179.45 177.69 2wqg h ASP 38 N 0.11 0.54 0.81 4.20 -0.00 0.33 -2.66 116.42 119.74 2wqg h ASP 38 Ca -0.01 -0.54 -0.10 0.00 -0.00 0.00 0.00 57.03 56.37 2wqg h ASP 38 Cb 1.13 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 40.29 2wqg h ASP 38 CO 0.09 0.98 -0.49 -0.78 -0.00 0.00 0.00 179.24 179.04 2wqg h ASP 39 N 0.12 0.00 1.18 2.28 3.58 -0.47 -2.87 116.42 120.24 2wqg h ASP 39 Ca 0.01 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2wqg h ASP 39 Cb 0.88 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 2wqg h ASP 39 CO 0.07 0.49 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.48 2wqg h GLU 40 N 0.00 0.00 0.00 0.28 4.39 -1.00 -3.06 114.58 115.19 2wqg h GLU 40 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wqg h GLU 40 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2wqg h GLU 40 CO 0.06 0.11 0.29 0.93 -1.16 0.00 0.00 179.01 179.24 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 4.39 -1.23 0.53 114.58 120.60 2wqg h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wqg h GLU 41 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2wqg h GLU 41 CO 0.01 0.00 -1.57 0.43 -1.16 0.00 0.00 179.01 176.72 2wqg n SER 42 N -2.57 0.50 -3.90 1.42 7.64 -1.16 -4.88 113.62 110.68 2wqg n SER 42 Ca -0.02 -0.38 -0.29 0.00 1.01 0.00 0.00 58.87 59.19 2wqg n SER 42 Cb 0.33 1.59 0.03 0.00 -1.01 0.00 0.00 64.21 65.14 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wqg n LYS 43 N -1.94 -5.41 0.00 1.43 4.81 0.19 -4.73 118.16 112.51 2wqg n LYS 43 Ca -0.01 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2wqg n LYS 43 Cb 0.46 -5.43 0.00 0.00 0.02 0.00 0.00 35.03 30.07 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 -1.68 -0.33 0.12 3.14 0.00 -1.26 -5.00 105.19 100.18 2wqg n GLY 44 Ca -0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 0.57 -2.42 1.61 0.00 -1.26 -4.93 120.64 114.20 2wqg n GLU 45 Ca 0.00 0.33 -0.42 0.00 0.00 0.00 0.00 57.16 57.07 2wqg n GLU 45 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2wqg s SER 46 N -7.00 7.10 1.24 4.31 0.01 -1.26 -5.03 113.70 113.07 2wqg s SER 46 Ca -0.34 2.07 -0.17 0.00 1.31 0.00 0.00 55.95 58.81 2wqg s SER 46 Cb 0.11 -2.59 0.26 0.00 0.21 0.00 0.00 66.02 64.01 2wqg s SER 46 CO 0.48 -0.43 0.85 -1.84 0.41 0.00 0.00 173.24 172.72 2wqg n GLU 47 N 3.51 -3.05 -5.13 12.44 0.28 -1.26 -4.85 120.64 122.58 2wqg n GLU 47 Ca 0.07 -1.38 -0.32 0.00 -0.16 0.00 0.00 57.16 55.38 2wqg n GLU 47 Cb 0.46 -1.37 -0.17 0.00 1.43 0.00 0.00 31.44 31.79 2wqg n GLU 47 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2wqg s VAL 48 N -2.47 2.00 -0.18 3.84 -7.23 -1.26 -5.07 120.40 110.02 2wqg s VAL 48 Ca 0.57 -0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 59.63 2wqg s VAL 48 Cb -0.06 -1.74 0.06 0.00 0.56 0.00 0.00 36.38 35.19 2wqg s VAL 48 CO 0.44 0.55 0.46 -0.55 -0.31 0.00 0.00 175.10 175.69 2wqg s SER 49 N 0.41 -0.55 0.23 4.85 0.15 -1.26 -5.03 113.70 112.49 2wqg s SER 49 Ca -0.18 0.97 0.23 0.00 0.70 0.00 0.00 55.95 57.68 2wqg s SER 49 Cb -0.18 0.90 0.93 0.00 -1.71 0.00 0.00 66.02 65.97 2wqg s SER 49 CO 0.08 -0.19 1.70 -0.81 1.20 0.00 0.00 173.24 175.21 2wqg n PRO 50 N 3.79 0.18 0.00 5.44 -0.04 -1.26 -5.33 135.00 137.77 2wqg n PRO 50 Ca -0.20 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2wqg n PRO 50 Cb 0.56 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2wqg n PRO 50 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50