#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 0.00 0.00 1.61 7.64 -1.26 -5.05 113.62 116.56 2wqg n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wqg n SER 2 Cb 0.00 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 -2.06 0.00 -3.76 -0.43 0.00 -1.26 -4.94 120.51 108.05 2wqg n ALA 3 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2wqg n ALA 3 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.25 -1.05 0.17 0.00 -0.08 -1.26 -4.83 116.55 109.26 2wqg n ASP 4 Ca 0.00 -0.87 0.06 0.00 -1.51 0.00 0.00 54.79 52.47 2wqg n ASP 4 Cb 0.00 -3.78 0.54 0.00 2.34 0.00 0.00 41.12 40.22 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 -1.85 0.16 -0.48 -0.67 0.05 -1.92 -1.58 116.97 110.68 2wqg h TYR 5 Ca -0.62 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.30 2wqg h TYR 5 Cb 1.36 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 39.03 2wqg h TYR 5 CO 0.47 0.15 0.56 0.66 -1.05 0.00 0.00 178.16 178.95 2wqg h SER 6 N 0.17 0.00 0.00 3.88 4.64 -1.90 0.35 113.55 120.69 2wqg h SER 6 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 2wqg h SER 6 Cb 0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 2wqg h SER 6 CO -0.00 0.00 -2.03 -0.24 -0.87 0.00 0.00 176.83 173.69 2wqg n SER 7 N -3.57 0.56 -3.71 4.97 2.88 -0.62 -4.98 113.62 109.15 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 -2.37 0.00 -4.59 2.46 4.32 0.12 -5.04 117.00 111.90 2wqg n LEU 8 Ca -0.14 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.61 2wqg n LEU 8 Cb 0.74 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.46 2wqg n LEU 8 CO 0.40 -0.79 -0.38 0.28 -1.22 0.00 0.00 177.39 175.67 2wqg s THR 9 N -0.29 3.16 0.42 -5.08 -1.32 -1.26 -5.01 115.64 106.25 2wqg s THR 9 Ca 0.00 -1.97 0.11 0.00 -1.21 0.00 0.00 61.69 58.62 2wqg s THR 9 Cb 0.00 -2.66 0.19 0.00 -1.51 0.00 0.00 72.50 68.53 2wqg s THR 9 CO 0.00 -0.32 1.98 -0.37 -2.21 0.00 0.00 174.62 173.70 2wqg h VAL 10 N 2.18 1.13 -0.21 5.08 -1.51 -1.96 0.16 116.25 121.11 2wqg h VAL 10 Ca -0.44 -0.56 -0.10 0.00 -1.23 0.00 0.00 66.70 64.37 2wqg h VAL 10 Cb 1.24 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2wqg h VAL 10 CO 0.59 0.18 -0.27 -0.37 -1.23 0.00 0.00 177.57 176.46 2wqg h VAL 11 N 0.20 1.33 -0.11 7.19 -1.51 -1.99 -1.78 116.25 119.58 2wqg h VAL 11 Ca 0.05 -1.47 -0.20 0.00 -1.23 0.00 0.00 66.70 63.85 2wqg h VAL 11 Cb 0.25 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2wqg h VAL 11 CO 0.01 0.45 -0.74 1.56 -1.23 0.00 0.00 177.57 177.62 2wqg h GLN 12 N 0.24 0.54 0.41 5.19 4.20 -1.91 -0.96 115.11 122.84 2wqg h GLN 12 Ca 0.03 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.27 2wqg h GLN 12 Cb 0.84 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2wqg h GLN 12 CO 0.06 1.07 -0.20 -0.07 -0.67 0.00 0.00 178.83 179.03 2wqg h LEU 13 N 0.37 -0.47 -0.80 1.46 4.07 -0.70 -0.18 115.31 119.06 2wqg h LEU 13 Ca -0.04 -0.05 -0.13 0.00 0.08 0.00 0.00 57.88 57.75 2wqg h LEU 13 Cb 1.34 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.19 2wqg h LEU 13 CO 0.14 -0.25 -0.49 0.07 -1.08 0.00 0.00 178.44 176.83 2wqg h LYS 14 N -0.67 0.27 0.10 1.13 2.10 -1.40 0.14 116.57 118.24 2wqg h LYS 14 Ca -0.06 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 58.44 2wqg h LYS 14 Cb 0.49 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2wqg h LYS 14 CO 0.09 0.70 -0.05 0.22 -2.00 0.00 0.00 179.45 178.42 2wqg h ASP 15 N 0.22 -0.11 0.22 7.07 -0.00 -1.08 -1.22 116.42 121.52 2wqg h ASP 15 Ca 0.01 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.03 56.82 2wqg h ASP 15 Cb 0.94 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.29 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 -0.30 0.14 0.52 2.28 -0.00 -1.00 -1.85 115.31 115.10 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 0.25 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 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 -1.35 0.17 3.38 -0.49 0.64 115.31 117.02 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 0.60 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2wqg h LEU 17 CO 0.04 -0.50 -0.19 0.00 0.09 0.00 0.00 178.44 177.89 2wqg h THR 18 N -0.79 1.20 0.00 0.22 1.03 -1.18 -0.57 112.91 112.82 2wqg h THR 18 Ca -0.06 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.43 2wqg h THR 18 Cb 0.64 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 69.04 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 0.19 0.00 0.00 0.00 1.57 -0.81 -2.96 116.57 114.55 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2wqg h LYS 19 CO 0.03 0.00 -0.55 -2.13 -0.57 0.00 0.00 179.45 176.23 2wqg n ARG 20 N -2.45 0.22 0.00 3.15 0.63 0.22 -4.94 116.66 113.49 2wqg n ARG 20 Ca 0.04 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 -1.71 -2.51 0.00 0.00 177.63 173.41 2wqg n ASN 21 N -1.97 0.00 0.00 6.15 2.85 -1.09 -5.04 115.26 116.16 2wqg n ASN 21 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 2wqg n ASN 21 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 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 -1.10 -5.00 117.00 116.87 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 0.38 -1.20 -1.33 0.00 0.00 177.39 175.24 2wqg n SER 23 N 0.00 -1.07 0.00 -1.43 7.64 -1.25 -4.72 113.62 112.78 2wqg n SER 23 Ca 0.00 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2wqg n SER 23 Cb 0.00 1.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.96 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 -0.35 0.02 -0.74 0.44 0.24 -1.26 -4.49 118.33 112.19 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 0.32 1.41 -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 -0.01 2.72 0.00 7.63 0.00 -1.26 -4.03 105.19 110.24 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 -0.59 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.20 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 -0.09 0.00 -0.05 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 -0.61 1.96 3.64 -1.95 2.69 116.57 121.83 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 -0.48 0.28 0.35 4.20 -1.24 -1.96 0.31 115.58 117.04 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 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 2wqg h ASN 29 CO -0.48 0.17 -0.29 -0.33 -1.29 0.00 0.00 177.43 175.21 2wqg h GLU 30 N 0.45 0.00 -0.07 6.67 5.08 -1.46 -1.74 114.58 123.51 2wqg h GLU 30 Ca 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2wqg h GLU 30 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2wqg h GLU 30 CO -0.28 0.29 -0.11 -1.49 -1.00 0.00 0.00 179.01 176.43 2wqg h TRP 31 N 0.00 0.25 -0.49 4.33 6.55 0.81 -0.02 115.95 127.38 2wqg h TRP 31 Ca -0.00 -0.08 -0.03 0.00 0.95 0.00 0.00 58.89 59.72 2wqg h TRP 31 Cb 0.55 -0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 28.77 2wqg h TRP 31 CO 0.00 0.69 0.17 -0.24 -1.05 0.00 0.00 178.44 178.01 2wqg h VAL 32 N -0.26 1.19 0.07 1.49 3.04 -0.51 0.18 116.25 121.45 2wqg h VAL 32 Ca 0.01 -0.62 -0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2wqg h VAL 32 Cb 0.66 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2wqg h VAL 32 CO 0.03 0.24 -0.03 -0.61 -1.01 0.00 0.00 177.57 176.18 2wqg h GLN 33 N 0.70 -0.09 -0.67 4.17 5.75 -1.23 0.47 115.11 124.21 2wqg h GLN 33 Ca 0.17 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 2wqg h GLN 33 Cb 0.18 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 2wqg h GLN 33 CO -0.01 0.27 0.16 0.07 -2.65 0.00 0.00 178.83 176.66 2wqg h ARG 34 N -0.45 1.07 0.14 1.69 0.11 -0.77 -0.91 114.38 115.26 2wqg h ARG 34 Ca -0.01 -0.26 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 2wqg h ARG 34 Cb 0.39 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2wqg h ARG 34 CO 0.01 0.96 -0.07 -0.07 0.10 0.00 0.00 179.97 180.90 2wqg h LEU 35 N 1.00 -0.16 -1.30 0.08 3.38 -0.65 0.18 115.31 117.83 2wqg h LEU 35 Ca 0.21 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.15 2wqg h LEU 35 Cb 0.37 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 2wqg h LEU 35 CO 0.00 0.06 0.56 0.40 0.09 0.00 0.00 178.44 179.55 2wqg h ILE 36 N -0.38 0.88 -0.04 1.22 2.04 -0.80 0.32 117.51 120.75 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 0.30 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2wqg h ILE 36 CO 0.03 0.13 -0.62 0.50 0.00 0.00 0.00 178.15 178.19 2wqg h LYS 37 N 0.72 0.15 -0.52 2.37 1.63 -0.81 0.22 116.57 120.32 2wqg h LYS 37 Ca 0.42 -0.11 -0.10 0.00 -0.85 0.00 0.00 60.65 60.01 2wqg h LYS 37 Cb 0.62 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 2wqg h LYS 37 CO -0.18 0.72 -0.08 0.22 -3.45 0.00 0.00 179.45 176.68 2wqg h ASP 38 N 0.11 0.97 1.46 4.20 3.58 0.26 -0.46 116.42 126.55 2wqg h ASP 38 Ca -0.01 -0.34 -0.10 0.00 0.42 0.00 0.00 57.03 57.00 2wqg h ASP 38 Cb 1.12 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 2wqg h ASP 38 CO 0.09 1.09 -0.55 0.44 -2.88 0.00 0.00 179.24 177.43 2wqg h ASP 39 N 0.84 0.00 1.74 2.28 5.19 -0.95 -3.24 116.42 122.28 2wqg h ASP 39 Ca 0.14 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 2wqg h ASP 39 Cb 0.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 2wqg h ASP 39 CO 0.04 0.46 -0.27 -0.08 -3.12 0.00 0.00 179.24 176.28 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 4.22 -0.76 -3.24 114.58 118.37 2wqg h GLU 40 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2wqg h GLU 40 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2wqg h GLU 40 CO 0.06 0.16 0.25 0.93 -2.18 0.00 0.00 179.01 178.23 2wqg h GLU 41 N 0.00 0.00 -0.00 1.92 4.39 -1.10 0.48 114.58 120.27 2wqg h GLU 41 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wqg h GLU 41 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2wqg h GLU 41 CO 0.02 0.00 -0.03 -1.13 -1.16 0.00 0.00 179.01 176.71 2wqg n SER 42 N -2.60 0.33 -2.09 1.42 3.41 -1.23 -4.78 113.62 108.09 2wqg n SER 42 Ca -0.02 -0.66 -0.16 0.00 -0.26 0.00 0.00 58.87 57.77 2wqg n SER 42 Cb 0.29 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.72 -1.76 0.00 4.33 0.00 0.16 -4.73 118.16 115.43 2wqg n LYS 43 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 58.31 59.16 2wqg n LYS 43 Cb 0.02 -5.36 0.00 0.00 0.00 0.00 0.00 35.03 29.68 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 -0.69 1.97 1.69 3.14 0.00 -1.25 -5.07 105.19 104.98 2wqg n GLY 44 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.05 1.61 1.02 -1.26 -4.94 120.64 115.02 2wqg n GLU 45 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2wqg n GLU 45 Cb 0.00 -0.12 -0.03 0.00 -0.02 0.00 0.00 31.44 31.27 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 -5.08 6.38 0.63 1.62 0.01 -1.26 -4.97 113.70 111.03 2wqg s SER 46 Ca 0.00 1.79 -0.17 0.00 1.31 0.00 0.00 55.95 58.88 2wqg s SER 46 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2wqg s SER 46 CO 0.00 -1.23 1.18 -1.61 0.41 0.00 0.00 173.24 171.99 2wqg s GLU 47 N 4.64 2.82 -1.13 12.44 2.02 -1.26 -4.78 118.70 133.44 2wqg s GLU 47 Ca 0.74 1.71 -0.04 0.00 0.02 0.00 0.00 54.97 57.39 2wqg s GLU 47 Cb -0.28 -1.92 0.27 0.00 0.10 0.00 0.00 34.13 32.30 2wqg s GLU 47 CO 0.30 -1.30 1.73 0.28 0.02 0.00 0.00 175.26 176.29 2wqg n VAL 48 N -1.94 5.33 -3.66 2.63 0.31 -1.26 -4.89 118.33 114.86 2wqg n VAL 48 Ca 0.13 -5.51 -0.29 0.00 -0.01 0.00 0.00 64.34 58.66 2wqg n VAL 48 Cb 0.50 -2.01 -0.15 0.00 -0.91 0.00 0.00 33.84 31.27 2wqg n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2wqg s SER 49 N -1.00 3.77 0.66 4.52 0.15 -1.26 -4.99 113.70 115.55 2wqg s SER 49 Ca 0.37 -1.45 0.27 0.00 0.70 0.00 0.00 55.95 55.84 2wqg s SER 49 Cb 0.10 -0.64 1.48 0.00 -1.71 0.00 0.00 66.02 65.25 2wqg s SER 49 CO 0.02 -0.42 1.84 -0.65 1.20 0.00 0.00 173.24 175.22 2wqg h PRO 50 N 8.22 0.00 0.00 5.44 0.11 -2.05 -3.55 132.00 140.18 2wqg h PRO 50 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2wqg h PRO 50 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2wqg h PRO 50 CO 0.45 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.28