#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u57 n GLU 2 N 0.00 -3.21 -0.35 1.47 0.28 -1.26 -5.02 120.64 112.55 1u57 n GLU 2 Ca 0.00 -1.08 -0.17 0.00 -0.16 0.00 0.00 57.16 55.75 1u57 n GLU 2 Cb 0.00 -1.19 0.16 0.00 1.43 0.00 0.00 31.44 31.84 1u57 n GLU 2 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1u57 n GLU 3 N -4.17 -2.14 0.00 3.44 4.71 -1.26 -4.19 120.64 117.03 1u57 n GLU 3 Ca 0.10 -0.79 0.00 0.00 -0.01 0.00 0.00 57.16 56.45 1u57 n GLU 3 Cb 0.40 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 1u57 n GLU 3 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1u57 n MET 4 N -2.44 0.00 0.14 3.49 2.81 -1.26 -4.73 117.12 115.13 1u57 n MET 4 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1u57 n MET 4 Cb 0.33 -2.39 0.28 0.00 -0.71 0.00 0.00 33.22 30.73 1u57 n MET 4 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u57 h MET 5 N 0.72 0.11 -0.60 0.03 -0.00 -1.85 -0.04 114.93 113.30 1u57 h MET 5 Ca 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 59.70 59.59 1u57 h MET 5 Cb 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 1u57 h MET 5 CO 0.00 0.51 0.11 1.15 -0.00 0.00 0.00 176.91 178.68 1u57 h THR 6 N 0.10 1.25 0.12 -0.10 2.02 -1.88 -2.63 112.91 111.79 1u57 h THR 6 Ca 0.01 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1u57 h THR 6 Cb 0.77 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1u57 h THR 6 CO 0.06 0.35 -0.06 0.00 0.37 0.00 0.00 175.52 176.24 1u57 h ALA 7 N 1.22 -0.16 -0.30 6.16 0.00 -1.91 -3.35 119.26 120.93 1u57 h ALA 7 Ca 0.19 -0.24 -0.66 0.00 0.00 0.00 0.00 54.91 54.19 1u57 h ALA 7 Cb 0.37 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1u57 h ALA 7 CO 0.01 -0.22 2.80 0.00 0.00 0.00 0.00 179.25 181.84 1u57 n GLN 9 N 2.59 3.11 -3.24 0.00 7.27 -1.00 -4.05 117.38 122.06 1u57 n GLN 9 Ca 0.68 -2.98 -0.16 0.00 0.07 0.00 0.00 57.00 54.61 1u57 n GLN 9 Cb 0.30 -3.21 0.06 0.00 2.41 0.00 0.00 30.24 29.80 1u57 n GLN 9 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1u57 n GLY 10 N 3.94 -0.16 0.16 1.69 0.00 -1.26 -4.95 105.19 104.62 1u57 n GLY 10 Ca 0.48 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 1u57 n GLY 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1u57 h VAL 11 N -1.83 1.41 -2.37 1.61 3.04 -1.89 -3.49 116.25 112.73 1u57 h VAL 11 Ca -0.43 -2.23 0.00 0.00 -1.01 0.00 0.00 66.70 63.03 1u57 h VAL 11 Cb 1.27 2.19 0.00 0.00 -2.01 0.00 0.00 31.29 32.73 1u57 h VAL 11 CO 0.40 0.66 0.00 0.61 -1.01 0.00 0.00 177.57 178.23 1u57 n GLY 12 N 0.59 -2.28 3.61 3.17 0.00 -1.26 -5.06 105.19 103.96 1u57 n GLY 12 Ca -0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1u57 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u57 s GLY 13 N 0.00 1.63 0.14 -0.02 0.00 -1.26 -4.60 107.32 103.21 1u57 s GLY 13 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 44.72 44.81 1u57 s GLY 13 CO 0.00 0.84 1.67 -0.56 0.00 0.00 0.00 173.10 175.05 1u57 h PRO 14 N -2.13 -0.12 -0.99 2.90 0.13 -1.97 0.12 132.00 129.93 1u57 h PRO 14 Ca -0.50 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 64.90 1u57 h PRO 14 Cb 1.29 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 1u57 h PRO 14 CO 0.45 -0.08 0.57 0.78 -0.23 0.00 0.00 178.00 179.48 1u57 h GLY 15 N -0.13 1.91 1.30 1.56 0.00 -1.99 0.24 103.07 105.95 1u57 h GLY 15 Ca 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 47.33 46.88 1u57 h GLY 15 CO -0.26 -0.31 -1.49 0.84 0.00 0.00 0.00 176.54 175.32 1u57 h HIS 16 N 0.49 0.25 -0.04 5.60 -0.00 -1.72 -3.13 115.15 116.60 1u57 h HIS 16 Ca 0.66 -0.18 0.01 0.00 -0.00 0.00 0.00 60.37 60.86 1u57 h HIS 16 Cb 1.33 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.72 1u57 h HIS 16 CO -0.02 1.23 0.03 0.87 -0.00 0.00 0.00 177.93 180.04 1u57 h LYS 17 N 0.04 0.00 -0.17 5.26 1.79 0.83 0.32 116.57 124.63 1u57 h LYS 17 Ca -0.21 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.12 1u57 h LYS 17 Cb 1.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.62 1u57 h LYS 17 CO 0.13 0.00 -0.42 0.00 -1.08 0.00 0.00 179.45 178.08 1u57 h ALA 18 N 1.97 0.28 -0.42 3.86 0.00 -0.66 -1.54 119.26 122.75 1u57 h ALA 18 Ca 0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1u57 h ALA 18 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u57 h ALA 18 CO -0.00 0.40 -0.29 -0.09 0.00 0.00 0.00 179.25 179.26 1u57 h ARG 19 N 0.25 0.93 -0.24 0.00 2.43 -1.05 -1.45 114.38 115.25 1u57 h ARG 19 Ca -0.00 -0.45 -0.18 0.00 -0.81 0.00 0.00 59.98 58.54 1u57 h ARG 19 Cb 1.03 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1u57 h ARG 19 CO 0.09 1.11 -0.55 -0.24 -1.51 0.00 0.00 179.97 178.87 1u57 h VAL 20 N 0.76 1.29 0.70 0.20 3.04 -0.50 -1.43 116.25 120.32 1u57 h VAL 20 Ca 0.08 -1.76 -0.03 0.00 -1.01 0.00 0.00 66.70 63.97 1u57 h VAL 20 Cb 0.88 1.69 0.01 0.00 -2.01 0.00 0.00 31.29 31.86 1u57 h VAL 20 CO 0.08 0.56 -0.34 0.25 -1.01 0.00 0.00 177.57 177.12 1u57 h LEU 21 N 0.57 -0.80 -0.95 3.16 5.85 -1.27 -2.20 115.31 119.67 1u57 h LEU 21 Ca 0.01 -0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.99 1u57 h LEU 21 Cb 1.13 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 42.24 1u57 h LEU 21 CO 0.11 -0.48 0.46 0.00 -0.34 0.00 0.00 178.44 178.20 1u57 h ALA 22 N -0.93 1.64 -0.43 1.25 0.00 -1.10 0.45 119.26 120.13 1u57 h ALA 22 Ca -0.10 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1u57 h ALA 22 Cb 0.75 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1u57 h ALA 22 CO 0.16 -0.41 0.18 1.49 0.00 0.00 0.00 179.25 180.66 1u57 h GLU 23 N 0.39 0.63 -0.04 0.00 4.57 -1.21 -2.55 114.58 116.36 1u57 h GLU 23 Ca 0.63 -0.11 -0.25 0.00 -1.18 0.00 0.00 59.36 58.45 1u57 h GLU 23 Cb 1.29 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1u57 h GLU 23 CO -0.56 0.58 -0.95 0.00 -1.18 0.00 0.00 179.01 176.90 1u57 h ALA 24 N 1.02 0.23 -0.15 2.92 0.00 0.35 -2.60 119.26 121.04 1u57 h ALA 24 Ca 0.14 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 1u57 h ALA 24 Cb 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u57 h ALA 24 CO -0.01 0.71 -0.64 0.00 0.00 0.00 0.00 179.25 179.31 1u57 h MET 25 N 0.40 0.54 -0.08 0.00 -0.00 -0.51 0.21 114.93 115.49 1u57 h MET 25 Ca -0.10 -0.38 -0.05 0.00 -0.00 0.00 0.00 59.70 59.17 1u57 h MET 25 Cb 1.59 0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 33.25 1u57 h MET 25 CO 0.18 1.00 -0.18 0.66 -0.00 0.00 0.00 176.91 178.58 1u57 h SER 26 N 0.39 0.11 0.26 -0.10 4.64 -1.52 -1.54 113.55 115.80 1u57 h SER 26 Ca -0.01 -0.02 -0.34 0.00 -0.47 0.00 0.00 61.79 60.94 1u57 h SER 26 Cb 1.21 -0.03 0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1u57 h SER 26 CO 0.12 0.31 -1.52 -0.61 -0.87 0.00 0.00 176.83 174.25 1u57 h GLN 27 N 0.11 0.53 -0.05 4.77 5.75 -0.99 -2.49 115.11 122.74 1u57 h GLN 27 Ca 0.02 -0.90 -0.02 0.00 -0.15 0.00 0.00 58.65 57.60 1u57 h GLN 27 Cb 0.39 0.34 -0.00 0.00 1.07 0.00 0.00 27.48 29.27 1u57 h GLN 27 CO 0.03 1.43 -0.05 0.28 -2.65 0.00 0.00 178.83 177.86 1u57 h VAL 28 N 0.14 1.38 -0.53 2.39 2.07 -0.51 0.96 116.25 122.15 1u57 h VAL 28 Ca -0.27 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1u57 h VAL 28 Cb 2.17 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 33.99 1u57 h VAL 28 CO 0.27 0.33 0.26 0.00 0.02 0.00 0.00 177.57 178.45 1u57 h THR 29 N -0.32 1.17 -0.65 2.57 1.03 -1.43 -1.36 112.91 113.92 1u57 h THR 29 Ca 0.01 -0.47 -0.08 0.00 -0.01 0.00 0.00 66.41 65.85 1u57 h THR 29 Cb 0.56 0.49 -0.03 0.00 -1.07 0.00 0.00 68.15 68.11 1u57 h THR 29 CO 0.01 0.20 0.08 -1.13 -0.01 0.00 0.00 175.52 174.67 1u57 h ASN 30 N 0.74 1.05 -0.40 0.00 -1.24 -1.25 0.21 115.58 114.70 1u57 h ASN 30 Ca 0.19 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 56.91 1u57 h ASN 30 Cb 0.06 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 1u57 h ASN 30 CO -0.03 1.06 0.19 -1.28 -1.29 0.00 0.00 177.43 176.08 1u57 h SER 31 N 1.02 0.56 1.21 1.15 0.87 0.20 0.22 113.55 118.77 1u57 h SER 31 Ca 0.19 -0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 1u57 h SER 31 Cb 0.47 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1u57 h SER 31 CO 0.02 0.50 -0.73 0.00 -0.53 0.00 0.00 176.83 176.09 1u57 h ALA 32 N 1.59 0.55 -0.20 6.23 0.00 -0.91 -3.14 119.26 123.38 1u57 h ALA 32 Ca 0.15 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1u57 h ALA 32 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u57 h ALA 32 CO -0.02 0.91 -0.22 0.00 0.00 0.00 0.00 179.25 179.93 1u57 h THR 33 N 0.00 1.24 -0.74 0.00 1.03 0.61 -1.02 112.91 114.03 1u57 h THR 33 Ca -0.01 -1.11 -0.02 0.00 -0.01 0.00 0.00 66.41 65.27 1u57 h THR 33 Cb 1.53 1.33 -0.04 0.00 -1.07 0.00 0.00 68.15 69.90 1u57 h THR 33 CO 0.09 0.35 0.40 0.40 -0.01 0.00 0.00 175.52 176.75 1u57 h ILE 34 N 0.32 1.22 -0.40 0.00 2.04 -0.96 -0.26 117.51 119.47 1u57 h ILE 34 Ca 0.05 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1u57 h ILE 34 Cb 0.56 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1u57 h ILE 34 CO 0.04 0.25 0.07 0.24 0.00 0.00 0.00 178.15 178.74 1u57 h MET 35 N 1.03 0.67 -0.36 2.37 2.86 -1.20 0.18 114.93 120.47 1u57 h MET 35 Ca 0.26 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1u57 h MET 35 Cb 0.03 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1u57 h MET 35 CO -0.04 0.71 -0.15 0.00 1.06 0.00 0.00 176.91 178.49 1u57 h MET 36 N 0.52 0.66 -0.06 1.72 -0.00 -1.00 -2.59 114.93 114.18 1u57 h MET 36 Ca 0.12 -0.22 -0.14 0.00 -0.00 0.00 0.00 59.70 59.45 1u57 h MET 36 Cb 0.37 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 31.90 1u57 h MET 36 CO 0.01 0.79 -0.61 0.37 -0.00 0.00 0.00 176.91 177.46 1u57 h GLN 37 N 0.60 0.21 -1.94 -0.10 4.15 -0.82 -0.39 115.11 116.82 1u57 h GLN 37 Ca 0.10 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 1u57 h GLN 37 Cb 0.60 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.26 1u57 h GLN 37 CO 0.04 0.75 -0.04 -2.13 -1.93 0.00 0.00 178.83 175.52 1u57 n ARG 38 N -3.86 1.55 0.07 1.69 3.00 0.60 -2.96 116.66 116.74 1u57 n ARG 38 Ca -0.02 -0.73 0.00 0.00 -0.00 0.00 0.00 57.85 57.10 1u57 n ARG 38 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.57 1u57 n ARG 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1u57 n GLY 39 N 1.63 -1.03 2.48 5.14 0.00 -1.22 -4.91 105.19 107.28 1u57 n GLY 39 Ca 0.22 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 1u57 n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u57 n ASN 40 N -2.77 6.82 0.08 1.61 5.15 -0.16 -1.75 115.26 124.23 1u57 n ASN 40 Ca 0.00 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.33 1u57 n ASN 40 Cb 0.00 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 37.69 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1u57 n PHE 41 N 4.54 -2.82 -0.23 1.20 7.35 -1.23 -4.74 117.46 121.53 1u57 n PHE 41 Ca 0.68 0.53 -0.03 0.00 -0.76 0.00 0.00 57.45 57.87 1u57 n PHE 41 Cb 0.28 1.57 0.08 0.00 0.35 0.00 0.00 39.48 41.76 1u57 n PHE 41 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1u57 h ARG 42 N 0.00 0.74 0.19 -4.13 2.43 -1.73 0.13 114.38 112.01 1u57 h ARG 42 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1u57 h ARG 42 Cb 0.00 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1u57 h ARG 42 CO 0.00 0.49 -0.09 -0.97 -1.51 0.00 0.00 179.97 177.89 1u57 h ASN 43 N 0.76 -0.22 -0.69 -3.80 -0.73 -1.70 -3.28 115.58 105.92 1u57 h ASN 43 Ca 0.28 -0.17 0.06 0.00 1.87 0.00 0.00 56.30 58.34 1u57 h ASN 43 Cb 0.08 0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.67 1u57 h ASN 43 CO -0.13 0.05 0.39 1.56 -0.37 0.00 0.00 177.43 178.93 1u57 h GLN 44 N -0.49 0.68 -5.31 6.67 4.20 -1.72 -3.47 115.11 115.67 1u57 h GLN 44 Ca -0.03 -0.04 -0.28 0.00 0.06 0.00 0.00 58.65 58.37 1u57 h GLN 44 Cb 0.38 -0.15 0.17 0.00 0.30 0.00 0.00 27.48 28.17 1u57 h GLN 44 CO 0.04 0.45 -0.73 -2.13 -0.67 0.00 0.00 178.83 175.79 1u57 n ARG 45 N -4.78 -4.70 0.00 1.46 3.00 0.42 -5.00 116.66 107.06 1u57 n ARG 45 Ca 0.09 0.78 0.00 0.00 -0.00 0.00 0.00 57.85 58.73 1u57 n ARG 45 Cb 0.19 -5.55 0.00 0.00 0.00 0.00 0.00 32.46 27.10 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1u57 n LYS 46 N -3.60 0.00 -4.45 -0.14 3.00 -1.24 -5.10 118.16 106.63 1u57 n LYS 46 Ca -0.20 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 57.89 1u57 n LYS 46 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.57 1u57 n LYS 46 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1u57 s ILE 47 N 3.89 1.08 0.00 3.15 -4.36 -1.26 -5.06 121.20 118.63 1u57 s ILE 47 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1u57 s ILE 47 Cb 0.00 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.99 1u57 s ILE 47 CO 0.00 0.00 0.00 0.55 0.24 0.00 0.00 174.94 175.73