#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wuj s THR 4 N 0.00 3.20 0.45 -5.08 -4.23 -1.26 -5.02 115.64 103.70 2wuj s THR 4 Ca 0.00 -1.98 0.15 0.00 -1.18 0.00 0.00 61.69 58.68 2wuj s THR 4 Cb 0.00 -2.77 0.33 0.00 1.34 0.00 0.00 72.50 71.40 2wuj s THR 4 CO 0.00 -0.35 2.00 -0.65 -0.54 0.00 0.00 174.62 175.08 2wuj h PRO 5 N 1.91 0.32 -0.17 3.99 0.11 -1.95 -0.60 132.00 135.61 2wuj h PRO 5 Ca -0.43 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2wuj h PRO 5 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2wuj h PRO 5 CO 0.61 0.21 -0.15 -0.91 -0.21 0.00 0.00 178.00 177.55 2wuj h ASN 6 N 0.33 0.27 0.26 -2.05 -0.26 -1.96 -0.93 115.58 111.25 2wuj h ASN 6 Ca 0.24 -0.06 -0.07 0.00 -0.56 0.00 0.00 56.30 55.85 2wuj h ASN 6 Cb 0.52 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 2wuj h ASN 6 CO -0.06 0.45 -0.30 0.44 -1.06 0.00 0.00 177.43 176.90 2wuj h ASP 7 N 0.27 0.06 0.69 5.81 3.32 -1.51 -3.00 116.42 122.05 2wuj h ASP 7 Ca 0.05 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.82 2wuj h ASP 7 Cb 0.43 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2wuj h ASP 7 CO 0.03 0.35 -1.20 0.40 -1.72 0.00 0.00 179.24 177.10 2wuj h ILE 8 N 0.05 1.54 -2.59 0.35 2.04 -1.18 -3.42 117.51 114.29 2wuj h ILE 8 Ca 0.01 -3.12 -0.53 0.00 1.00 0.00 0.00 64.86 62.22 2wuj h ILE 8 Cb 0.55 2.93 0.03 0.00 -0.74 0.00 0.00 36.82 39.60 2wuj h ILE 8 CO 0.04 0.91 1.07 -2.28 0.00 0.00 0.00 178.15 177.89 2wuj s HIS 9 N -2.67 2.27 -1.28 1.37 2.46 -0.42 -2.35 115.29 114.67 2wuj s HIS 9 Ca -0.03 0.11 -0.03 0.00 0.47 0.00 0.00 55.06 55.58 2wuj s HIS 9 Cb 0.08 -4.10 0.02 0.00 -0.13 0.00 0.00 32.58 28.44 2wuj s HIS 9 CO 0.87 -4.49 0.21 0.09 -2.47 0.00 0.00 174.74 168.95 2wuj n ASN 10 N 5.60 -4.45 -4.74 9.88 4.13 -1.26 -4.92 115.26 119.50 2wuj n ASN 10 Ca 0.17 -0.04 -0.41 0.00 1.68 0.00 0.00 54.58 55.98 2wuj n ASN 10 Cb 0.39 -3.71 -0.03 0.00 -1.54 0.00 0.00 39.78 34.88 2wuj n ASN 10 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2wuj s LYS 11 N -5.36 4.42 0.34 3.52 2.47 -0.99 -5.03 119.74 119.11 2wuj s LYS 11 Ca 0.14 2.01 0.05 0.00 -1.56 0.00 0.00 55.97 56.61 2wuj s LYS 11 Cb -0.07 -3.20 -0.07 0.00 -1.46 0.00 0.00 37.83 33.04 2wuj s LYS 11 CO 0.17 -0.18 0.03 0.95 0.16 0.00 0.00 175.35 176.48 2wuj s THR 12 N -0.09 1.42 0.17 3.43 -4.23 -1.26 -4.97 115.64 110.10 2wuj s THR 12 Ca 0.54 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2wuj s THR 12 Cb -0.36 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 2wuj s THR 12 CO 0.39 -0.03 0.07 -0.36 -0.54 0.00 0.00 174.62 174.15 2wuj s PHE 13 N -3.13 1.05 0.40 3.99 0.40 -1.26 -5.13 117.98 114.30 2wuj s PHE 13 Ca 0.35 -1.23 -0.27 0.00 -0.60 0.00 0.00 56.93 55.19 2wuj s PHE 13 Cb 0.09 -0.57 -0.10 0.00 0.51 0.00 0.00 43.02 42.94 2wuj s PHE 13 CO 0.16 -0.48 1.46 0.99 0.70 0.00 0.00 175.22 178.05 2wuj s THR 14 N -3.98 2.06 0.40 0.64 2.01 -1.26 -4.94 115.64 110.57 2wuj s THR 14 Ca 0.29 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.09 2wuj s THR 14 Cb 0.07 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.46 2wuj s THR 14 CO 0.06 0.01 1.27 -0.54 -0.69 0.00 0.00 174.62 174.73 2wuj s LYS 15 N -2.22 3.99 -0.15 4.92 1.02 -1.26 -5.04 119.74 121.00 2wuj s LYS 15 Ca 0.56 2.07 -0.14 0.00 0.02 0.00 0.00 55.97 58.48 2wuj s LYS 15 Cb -0.45 -2.74 0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2wuj s LYS 15 CO 0.61 -0.45 0.40 0.45 -0.92 0.00 0.00 175.35 175.44 2wuj s SER 16 N -0.84 -0.42 0.10 2.83 0.15 -1.26 -5.08 113.70 109.19 2wuj s SER 16 Ca 0.57 0.81 -0.31 0.00 0.70 0.00 0.00 55.95 57.72 2wuj s SER 16 Cb -0.36 0.82 -0.07 0.00 -1.71 0.00 0.00 66.02 64.70 2wuj s SER 16 CO 0.46 -0.14 1.32 0.12 1.20 0.00 0.00 173.24 176.20 2wuj s PHE 17 N 0.22 3.32 -1.74 3.44 5.36 -1.26 -1.47 117.98 125.85 2wuj s PHE 17 Ca -0.00 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 2wuj s PHE 17 Cb -0.03 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 2wuj s PHE 17 CO 0.00 -1.95 0.00 0.54 -1.46 0.00 0.00 175.22 172.35 2wuj n ARG 18 N 3.81 -1.28 -1.41 10.12 1.74 -1.26 -5.01 116.66 123.38 2wuj n ARG 18 Ca 0.10 1.02 -0.30 0.00 -0.77 0.00 0.00 57.85 57.91 2wuj n ARG 18 Cb 0.44 -5.35 0.21 0.00 -1.02 0.00 0.00 32.46 26.74 2wuj n ARG 18 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wuj s GLY 19 N -2.60 1.65 0.36 -0.13 0.00 -0.54 -4.98 107.32 101.07 2wuj s GLY 19 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 44.72 43.44 2wuj s GLY 19 CO 0.00 -0.18 1.37 -0.19 0.00 0.00 0.00 173.10 174.10 2wuj s TYR 20 N -3.33 2.85 0.06 1.90 2.02 -1.26 -4.89 117.35 114.70 2wuj s TYR 20 Ca 0.71 1.33 -0.34 0.00 -0.37 0.00 0.00 57.07 58.41 2wuj s TYR 20 Cb -0.08 -3.79 -0.13 0.00 -0.40 0.00 0.00 41.96 37.55 2wuj s TYR 20 CO 0.55 -2.28 1.68 -3.47 -1.57 0.00 0.00 175.55 170.46 2wuj n ASP 21 N 0.57 3.14 -0.24 2.29 -0.08 -1.26 -4.88 116.55 116.10 2wuj n ASP 21 Ca 0.01 1.05 -0.06 0.00 -1.51 0.00 0.00 54.79 54.27 2wuj n ASP 21 Cb 0.41 -1.39 0.04 0.00 2.34 0.00 0.00 41.12 42.52 2wuj n ASP 21 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2wuj h GLU 22 N 7.04 0.94 -0.03 -0.67 5.08 -1.99 -1.42 114.58 123.53 2wuj h GLU 22 Ca -0.46 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 57.61 2wuj h GLU 22 Cb 1.26 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2wuj h GLU 22 CO 0.91 0.75 -0.68 -0.44 -1.00 0.00 0.00 179.01 178.54 2wuj h ASP 23 N 0.91 0.16 -0.25 1.42 3.45 -1.99 0.19 116.42 120.31 2wuj h ASP 23 Ca 0.23 -0.11 -0.18 0.00 0.43 0.00 0.00 57.03 57.40 2wuj h ASP 23 Cb 0.11 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 2wuj h ASP 23 CO -0.03 0.80 -0.53 -0.33 -1.57 0.00 0.00 179.24 177.57 2wuj h GLU 24 N 0.10 0.84 -0.46 3.56 5.08 -1.89 -0.54 114.58 121.27 2wuj h GLU 24 Ca -0.01 -0.52 -0.05 0.00 -1.00 0.00 0.00 59.36 57.77 2wuj h GLU 24 Cb 1.22 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2wuj h GLU 24 CO 0.10 1.16 0.08 0.28 -1.00 0.00 0.00 179.01 179.62 2wuj h VAL 25 N 0.65 1.25 -0.45 3.13 2.07 -1.09 -1.02 116.25 120.79 2wuj h VAL 25 Ca 0.02 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 2wuj h VAL 25 Cb 1.13 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2wuj h VAL 25 CO 0.12 0.31 -0.10 0.78 0.02 0.00 0.00 177.57 178.70 2wuj h ASN 26 N 0.62 0.79 -0.44 0.57 -0.26 -0.80 0.12 115.58 116.18 2wuj h ASN 26 Ca 0.14 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 2wuj h ASN 26 Cb 0.38 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.40 2wuj h ASN 26 CO 0.01 0.92 0.28 -0.08 -1.06 0.00 0.00 177.43 177.50 2wuj h GLU 27 N 0.73 0.58 -0.59 0.81 4.81 -0.96 -1.76 114.58 118.20 2wuj h GLU 27 Ca 0.12 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2wuj h GLU 27 Cb 0.59 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2wuj h GLU 27 CO 0.04 0.40 0.01 0.35 -0.73 0.00 0.00 179.01 179.08 2wuj h PHE 28 N 0.59 1.09 0.00 0.92 3.57 -0.64 -2.19 116.94 120.28 2wuj h PHE 28 Ca 0.16 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2wuj h PHE 28 Cb -0.05 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 2wuj h PHE 28 CO -0.04 0.96 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.73 2wuj h LEU 29 N 0.93 0.00 -0.71 0.59 3.38 -0.72 -0.63 115.31 118.15 2wuj h LEU 29 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2wuj h LEU 29 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2wuj h LEU 29 CO 0.03 0.21 -0.27 0.00 0.09 0.00 0.00 178.44 178.49 2wuj h ALA 30 N 1.79 0.89 -0.22 1.53 0.00 -0.70 0.04 119.26 122.59 2wuj h ALA 30 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2wuj h ALA 30 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2wuj h ALA 30 CO 0.03 0.63 -0.03 0.37 0.00 0.00 0.00 179.25 180.24 2wuj h GLN 31 N 0.60 0.41 -0.31 0.00 5.75 -0.95 -2.11 115.11 118.52 2wuj h GLN 31 Ca 0.08 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2wuj h GLN 31 Cb 0.77 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 2wuj h GLN 31 CO 0.06 0.63 0.15 0.28 -2.65 0.00 0.00 178.83 177.30 2wuj h VAL 32 N 0.16 0.99 -0.08 2.39 2.07 -1.02 -1.16 116.25 119.60 2wuj h VAL 32 Ca 0.06 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2wuj h VAL 32 Cb 0.46 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2wuj h VAL 32 CO 0.02 0.06 -0.02 -0.09 0.02 0.00 0.00 177.57 177.55 2wuj h ARG 33 N 0.32 -0.01 -0.08 1.57 2.43 -0.93 -0.06 114.38 117.61 2wuj h ARG 33 Ca 0.13 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2wuj h ARG 33 Cb 0.04 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2wuj h ARG 33 CO -0.09 -0.01 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.06 2wuj h LYS 34 N -0.01 -0.11 -0.05 0.20 3.64 -1.07 -0.29 116.57 118.88 2wuj h LYS 34 Ca 0.04 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 2wuj h LYS 34 Cb 0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2wuj h LYS 34 CO -0.08 -0.07 -0.68 -0.44 -2.27 0.00 0.00 179.45 175.90 2wuj h ASP 35 N -0.11 0.27 -0.57 4.20 3.45 -0.95 -1.56 116.42 121.15 2wuj h ASP 35 Ca 0.06 -0.17 -0.10 0.00 0.43 0.00 0.00 57.03 57.25 2wuj h ASP 35 Cb 0.20 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 2wuj h ASP 35 CO -0.15 0.87 -0.05 0.22 -1.57 0.00 0.00 179.24 178.56 2wuj h TYR 36 N 0.16 1.15 -0.53 4.55 -0.00 -0.89 -2.70 116.97 118.70 2wuj h TYR 36 Ca -0.02 -0.22 0.03 0.00 -0.00 0.00 0.00 58.73 58.52 2wuj h TYR 36 Cb 1.22 -0.29 -0.04 0.00 -0.00 0.00 0.00 36.73 37.62 2wuj h TYR 36 CO 0.02 1.04 0.31 0.93 -0.00 0.00 0.00 178.16 180.46 2wuj h GLU 37 N 0.93 0.59 -0.24 1.82 5.08 -0.75 -1.85 114.58 120.16 2wuj h GLU 37 Ca 0.16 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2wuj h GLU 37 Cb 0.62 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2wuj h GLU 37 CO 0.04 0.39 0.09 0.82 -1.00 0.00 0.00 179.01 179.35 2wuj h ILE 38 N 0.61 0.94 -0.31 3.13 2.04 -1.10 0.30 117.51 123.13 2wuj h ILE 38 Ca 0.22 -0.07 -0.15 0.00 1.00 0.00 0.00 64.86 65.87 2wuj h ILE 38 Cb 0.05 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2wuj h ILE 38 CO -0.11 0.04 -0.40 1.62 0.00 0.00 0.00 178.15 179.30 2wuj h VAL 39 N 0.20 1.29 -0.49 1.67 3.04 -1.22 -1.68 116.25 119.05 2wuj h VAL 39 Ca 0.10 -1.57 -0.12 0.00 -1.01 0.00 0.00 66.70 64.10 2wuj h VAL 39 Cb 0.07 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 2wuj h VAL 39 CO -0.10 0.51 -0.16 -0.07 -1.01 0.00 0.00 177.57 176.74 2wuj h LEU 40 N 0.61 0.98 -0.61 3.16 3.38 -0.85 -0.34 115.31 121.64 2wuj h LEU 40 Ca 0.05 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2wuj h LEU 40 Cb 0.94 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2wuj h LEU 40 CO 0.09 1.13 0.13 0.08 0.09 0.00 0.00 178.44 179.97 2wuj h ARG 41 N 0.82 0.99 -0.55 1.13 -0.00 -0.78 -1.79 114.38 114.21 2wuj h ARG 41 Ca 0.12 -0.25 -0.03 0.00 -0.00 0.00 0.00 59.98 59.83 2wuj h ARG 41 Cb 0.72 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.97 30.55 2wuj h ARG 41 CO 0.06 0.91 0.23 -0.22 -0.00 0.00 0.00 179.97 180.94 2wuj h LYS 42 N 0.90 0.81 -0.53 0.08 1.63 -1.04 -1.14 116.57 117.27 2wuj h LYS 42 Ca 0.19 -0.14 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 2wuj h LYS 42 Cb 0.37 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 2wuj h LYS 42 CO 0.00 0.69 0.33 -0.22 -3.45 0.00 0.00 179.45 176.81 2wuj h LYS 43 N 0.74 0.64 -0.93 1.90 3.64 -0.77 -0.70 116.57 121.09 2wuj h LYS 43 Ca 0.18 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2wuj h LYS 43 Cb 0.18 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2wuj h LYS 43 CO -0.02 0.42 0.61 1.15 -2.27 0.00 0.00 179.45 179.35 2wuj h THR 44 N 0.66 1.20 -0.24 1.00 2.02 -0.90 -0.38 112.91 116.28 2wuj h THR 44 Ca 0.21 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 2wuj h THR 44 Cb -0.01 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.27 2wuj h THR 44 CO -0.08 0.22 -0.23 -0.08 0.37 0.00 0.00 175.52 175.73 2wuj h GLU 45 N 1.22 0.58 -0.08 6.66 4.81 -0.52 -2.31 114.58 124.94 2wuj h GLU 45 Ca 0.35 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 2wuj h GLU 45 Cb -0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2wuj h GLU 45 CO -0.09 0.89 -0.64 -0.07 -0.73 0.00 0.00 179.01 178.37 2wuj h LEU 46 N 0.29 0.35 -0.48 1.64 3.38 -0.69 -1.98 115.31 117.82 2wuj h LEU 46 Ca 0.04 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2wuj h LEU 46 Cb 0.78 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2wuj h LEU 46 CO 0.06 0.90 0.32 -0.33 0.09 0.00 0.00 178.44 179.47 2wuj h GLU 47 N 0.22 0.63 -0.38 1.13 5.08 -0.95 -0.35 114.58 119.96 2wuj h GLU 47 Ca -0.01 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2wuj h GLU 47 Cb 1.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2wuj h GLU 47 CO 0.10 0.42 -0.09 0.00 -1.00 0.00 0.00 179.01 178.44 2wuj h ALA 48 N 1.18 1.13 -0.42 3.43 0.00 -1.11 -1.18 119.26 122.28 2wuj h ALA 48 Ca 0.18 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2wuj h ALA 48 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2wuj h ALA 48 CO -0.04 0.55 -0.07 0.87 0.00 0.00 0.00 179.25 180.56 2wuj h LYS 49 N 0.60 0.79 -0.26 0.00 1.79 -1.04 -0.32 116.57 118.13 2wuj h LYS 49 Ca 0.11 -0.28 0.06 0.00 -2.18 0.00 0.00 60.65 58.36 2wuj h LYS 49 Cb 0.52 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 31.05 2wuj h LYS 49 CO 0.03 0.89 -0.21 0.28 -1.08 0.00 0.00 179.45 179.36 2wuj h VAL 50 N 0.61 0.44 0.40 0.50 2.07 -0.79 -2.90 116.25 116.59 2wuj h VAL 50 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2wuj h VAL 50 Cb 0.58 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2wuj h VAL 50 CO 0.03 0.00 -0.35 0.78 0.02 0.00 0.00 177.57 178.05 2wuj h ASN 51 N -0.20 -0.94 0.00 0.57 4.21 -0.89 -3.51 115.58 114.82 2wuj h ASN 51 Ca 0.14 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.73 2wuj h ASN 51 Cb 0.42 0.31 0.00 0.00 -1.12 0.00 0.00 38.32 37.93 2wuj h ASN 51 CO -0.38 -0.51 0.00 1.21 -1.29 0.00 0.00 177.43 176.46