#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u57 s GLU 2 N 0.00 2.75 0.96 3.23 2.56 -1.26 -4.95 118.70 122.00 1u57 s GLU 2 Ca 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 54.97 55.56 1u57 s GLU 2 Cb 0.00 -4.35 0.06 0.00 2.00 0.00 0.00 34.13 31.84 1u57 s GLU 2 CO 0.00 -2.58 0.51 0.39 -0.56 0.00 0.00 175.26 173.02 1u57 n GLU 3 N 9.05 -0.45 0.00 4.30 1.02 -1.26 -4.83 120.64 128.47 1u57 n GLU 3 Ca 0.20 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1u57 n GLU 3 Cb 0.51 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1u57 n GLU 3 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1u57 n MET 4 N -2.19 0.00 -0.15 3.49 1.56 -1.26 -4.94 117.12 113.64 1u57 n MET 4 Ca 0.07 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.49 1u57 n MET 4 Cb 0.54 0.00 0.23 0.00 2.15 0.00 0.00 33.22 36.14 1u57 n MET 4 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1u57 h MET 5 N 0.00 0.86 -0.27 2.12 -0.00 -1.90 0.69 114.93 116.42 1u57 h MET 5 Ca 0.00 -0.12 -0.17 0.00 -0.00 0.00 0.00 59.70 59.41 1u57 h MET 5 Cb 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 31.60 31.44 1u57 h MET 5 CO 0.00 0.68 -0.52 1.15 -0.00 0.00 0.00 176.91 178.21 1u57 h THR 6 N 0.85 1.29 -0.81 -0.10 2.02 -1.97 -2.96 112.91 111.23 1u57 h THR 6 Ca 0.21 -1.72 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 1u57 h THR 6 Cb 0.11 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1u57 h THR 6 CO -0.03 0.56 0.38 0.00 0.37 0.00 0.00 175.52 176.80 1u57 h ALA 7 N 0.80 1.15 -0.10 6.16 0.00 -1.80 -2.96 119.26 122.51 1u57 h ALA 7 Ca 0.02 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 1u57 h ALA 7 Cb 1.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1u57 h ALA 7 CO 0.11 0.64 2.64 0.00 0.00 0.00 0.00 179.25 182.64 1u57 h GLN 9 N 4.44 0.30 -1.93 0.00 5.75 -1.62 -2.67 115.11 119.37 1u57 h GLN 9 Ca 0.69 -0.06 -0.73 0.00 -0.15 0.00 0.00 58.65 58.41 1u57 h GLN 9 Cb 0.57 -0.05 -0.31 0.00 1.07 0.00 0.00 27.48 28.76 1u57 h GLN 9 CO 1.38 0.37 0.61 0.41 -2.65 0.00 0.00 178.83 178.95 1u57 n GLY 10 N -0.69 5.70 4.25 2.39 0.00 -1.26 -4.81 105.19 110.77 1u57 n GLY 10 Ca -0.04 -2.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.06 1u57 n GLY 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u57 n VAL 11 N -0.46 -1.17 0.00 1.61 3.14 -1.01 -3.97 118.33 116.47 1u57 n VAL 11 Ca 0.49 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.73 1u57 n VAL 11 Cb 0.33 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 1u57 n VAL 11 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1u57 n GLY 12 N -1.56 0.56 2.40 7.55 0.00 -1.24 -5.02 105.19 107.88 1u57 n GLY 12 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1u57 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u57 n GLY 13 N 0.00 -2.63 0.20 -0.02 0.00 -1.19 -4.53 105.19 97.02 1u57 n GLY 13 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 1u57 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u57 h PRO 14 N 0.00 0.11 -0.79 1.61 0.13 -1.97 0.10 132.00 131.19 1u57 h PRO 14 Ca -0.28 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.03 1u57 h PRO 14 Cb 0.86 -0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.83 1u57 h PRO 14 CO 0.18 0.07 0.10 0.78 -0.23 0.00 0.00 178.00 178.91 1u57 h GLY 15 N 0.11 1.03 1.93 1.56 0.00 -1.92 0.24 103.07 106.03 1u57 h GLY 15 Ca 0.25 0.04 -0.22 0.00 0.00 0.00 0.00 47.33 47.41 1u57 h GLY 15 CO -0.42 -0.30 -1.02 0.84 0.00 0.00 0.00 176.54 175.64 1u57 h HIS 16 N 0.16 0.09 -0.40 5.60 -0.00 0.04 -2.06 115.15 118.58 1u57 h HIS 16 Ca 0.46 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.75 1u57 h HIS 16 Cb 0.84 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 1u57 h HIS 16 CO -0.35 1.03 0.19 0.87 -0.00 0.00 0.00 177.93 179.67 1u57 h LYS 17 N 0.02 0.56 -0.09 5.26 1.79 0.51 0.16 116.57 124.78 1u57 h LYS 17 Ca -0.03 -0.06 -0.20 0.00 -2.18 0.00 0.00 60.65 58.18 1u57 h LYS 17 Cb 1.77 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1u57 h LYS 17 CO 0.14 0.44 -0.76 0.00 -1.08 0.00 0.00 179.45 178.19 1u57 h ALA 18 N 1.65 0.50 -0.27 3.86 0.00 -0.54 -1.64 119.26 122.82 1u57 h ALA 18 Ca 0.14 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1u57 h ALA 18 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1u57 h ALA 18 CO -0.02 0.74 -0.45 -0.09 0.00 0.00 0.00 179.25 179.44 1u57 h ARG 19 N 0.35 0.69 -0.32 0.00 2.43 -0.59 -0.20 114.38 116.73 1u57 h ARG 19 Ca -0.04 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.66 1u57 h ARG 19 Cb 1.36 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1u57 h ARG 19 CO 0.14 1.00 -0.14 0.28 -1.51 0.00 0.00 179.97 179.74 1u57 h VAL 20 N 0.56 1.29 0.31 0.20 2.07 -0.73 -1.72 116.25 118.23 1u57 h VAL 20 Ca 0.04 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1u57 h VAL 20 Cb 1.00 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1u57 h VAL 20 CO 0.09 0.40 -0.15 0.25 0.02 0.00 0.00 177.57 178.18 1u57 h LEU 21 N 0.43 -0.36 -1.19 2.57 5.85 -1.23 -1.88 115.31 119.51 1u57 h LEU 21 Ca 0.07 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.00 1u57 h LEU 21 Cb 0.66 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 1u57 h LEU 21 CO 0.04 -0.25 0.62 0.00 -0.34 0.00 0.00 178.44 178.51 1u57 h ALA 22 N 0.26 1.88 -0.23 1.25 0.00 -0.95 0.37 119.26 121.84 1u57 h ALA 22 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1u57 h ALA 22 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1u57 h ALA 22 CO 0.07 -0.22 0.08 1.49 0.00 0.00 0.00 179.25 180.67 1u57 h GLU 23 N 0.64 0.35 -0.23 0.00 4.57 -1.04 -2.16 114.58 116.70 1u57 h GLU 23 Ca 0.55 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.53 1u57 h GLU 23 Cb 1.02 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1u57 h GLU 23 CO -0.31 0.42 -0.39 0.00 -1.18 0.00 0.00 179.01 177.55 1u57 h ALA 24 N 0.92 0.90 0.00 2.92 0.00 -0.19 -1.17 119.26 122.64 1u57 h ALA 24 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1u57 h ALA 24 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u57 h ALA 24 CO -0.00 0.63 0.00 -1.33 0.00 0.00 0.00 179.25 178.55 1u57 n MET 25 N -4.04 0.89 -0.10 0.00 2.81 0.11 -0.52 117.12 116.28 1u57 n MET 25 Ca -0.01 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.74 1u57 n MET 25 Cb 0.50 -1.32 -0.10 0.00 -0.71 0.00 0.00 33.22 31.59 1u57 n MET 25 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1u57 n SER 26 N -0.82 2.23 -0.02 7.83 2.88 -0.76 -4.41 113.62 120.55 1u57 n SER 26 Ca 0.14 -0.09 -0.16 0.00 -1.33 0.00 0.00 58.87 57.42 1u57 n SER 26 Cb 0.06 -0.15 -0.13 0.00 -0.75 0.00 0.00 64.21 63.24 1u57 n SER 26 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1u57 h GLN 27 N 0.00 0.15 -0.05 -1.46 4.15 -0.89 -2.24 115.11 114.77 1u57 h GLN 27 Ca -0.45 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 58.73 1u57 h GLN 27 Cb 1.74 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.51 1u57 h GLN 27 CO -0.06 1.07 -0.01 0.28 -1.93 0.00 0.00 178.83 178.19 1u57 h VAL 28 N -0.66 1.28 -0.84 2.39 2.07 -1.07 -0.59 116.25 118.83 1u57 h VAL 28 Ca -0.06 -0.86 0.12 0.00 0.82 0.00 0.00 66.70 66.72 1u57 h VAL 28 Cb 1.24 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1u57 h VAL 28 CO 0.07 0.23 0.55 0.74 0.02 0.00 0.00 177.57 179.18 1u57 h THR 29 N -0.25 0.89 -0.17 2.57 2.02 -1.74 0.29 112.91 116.52 1u57 h THR 29 Ca 0.01 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1u57 h THR 29 Cb 0.38 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1u57 h THR 29 CO 0.00 0.13 -0.18 -1.13 0.37 0.00 0.00 175.52 174.71 1u57 h ASN 30 N 0.70 0.45 -0.29 4.18 -1.24 -1.02 0.73 115.58 119.10 1u57 h ASN 30 Ca 0.41 -0.49 0.03 0.00 0.71 0.00 0.00 56.30 56.96 1u57 h ASN 30 Cb 0.60 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1u57 h ASN 30 CO -0.17 0.84 0.20 -1.28 -1.29 0.00 0.00 177.43 175.73 1u57 h SER 31 N 0.07 0.23 1.17 1.15 0.87 -0.09 0.70 113.55 117.64 1u57 h SER 31 Ca 0.03 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 1u57 h SER 31 Cb 0.72 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1u57 h SER 31 CO 0.04 0.16 -0.85 0.00 -0.53 0.00 0.00 176.83 175.65 1u57 h ALA 32 N 1.84 0.55 -0.08 6.23 0.00 -0.85 -3.19 119.26 123.75 1u57 h ALA 32 Ca 0.12 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 1u57 h ALA 32 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u57 h ALA 32 CO -0.02 0.95 -0.31 0.00 0.00 0.00 0.00 179.25 179.87 1u57 h THR 33 N 0.00 1.25 -0.29 0.00 1.03 0.13 -0.57 112.91 114.46 1u57 h THR 33 Ca -0.04 -1.19 -0.03 0.00 -0.01 0.00 0.00 66.41 65.14 1u57 h THR 33 Cb 1.59 1.53 -0.02 0.00 -1.07 0.00 0.00 68.15 70.18 1u57 h THR 33 CO 0.09 0.35 0.06 0.40 -0.01 0.00 0.00 175.52 176.42 1u57 h ILE 34 N 0.14 1.15 -0.06 0.00 1.08 -1.01 -0.22 117.51 118.59 1u57 h ILE 34 Ca 0.02 -0.52 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 1u57 h ILE 34 Cb 0.62 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1u57 h ILE 34 CO 0.04 0.19 -0.10 0.24 -0.69 0.00 0.00 178.15 177.83 1u57 h MET 35 N 0.42 0.18 -0.25 2.37 2.86 -1.26 0.26 114.93 119.51 1u57 h MET 35 Ca 0.10 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1u57 h MET 35 Cb 0.18 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1u57 h MET 35 CO -0.00 0.67 -0.09 0.00 1.06 0.00 0.00 176.91 178.55 1u57 h MET 36 N -0.30 0.40 -0.28 1.72 -0.00 -0.89 -1.61 114.93 113.98 1u57 h MET 36 Ca 0.01 -0.10 -0.19 0.00 -0.00 0.00 0.00 59.70 59.42 1u57 h MET 36 Cb 0.66 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 1u57 h MET 36 CO 0.02 0.51 -0.56 0.37 -0.00 0.00 0.00 176.91 177.25 1u57 h GLN 37 N 0.38 0.88 -6.04 -0.10 4.15 -1.07 -3.25 115.11 110.05 1u57 h GLN 37 Ca 0.08 -0.57 -0.60 0.00 0.77 0.00 0.00 58.65 58.33 1u57 h GLN 37 Cb 0.40 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 1u57 h GLN 37 CO 0.02 1.20 1.43 -2.13 -1.93 0.00 0.00 178.83 177.43 1u57 n ARG 38 N -4.01 1.91 0.00 1.69 3.00 0.08 -1.00 116.66 118.33 1u57 n ARG 38 Ca -0.05 0.56 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 1u57 n ARG 38 Cb 0.64 -3.05 0.00 0.00 0.00 0.00 0.00 32.46 30.05 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 5.71 2.76 4.36 5.14 0.00 -1.26 -3.93 105.19 117.96 1u57 n GLY 39 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.55 0.00 0.00 1.61 5.15 -0.17 -3.98 115.26 118.42 1u57 n ASN 40 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1u57 n ASN 40 Cb 0.00 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.70 1u57 n ASN 40 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1u57 n PHE 41 N -1.70 -0.13 0.12 1.20 3.72 -1.26 -4.82 117.46 114.58 1u57 n PHE 41 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1u57 n PHE 41 Cb 0.00 0.16 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 1u57 n PHE 41 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1u57 h ARG 42 N 0.00 -0.56 -0.48 -1.08 1.12 -1.82 0.37 114.38 111.93 1u57 h ARG 42 Ca 0.00 0.04 -0.11 0.00 -1.11 0.00 0.00 59.98 58.79 1u57 h ARG 42 Cb 0.00 0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 1u57 h ARG 42 CO 0.00 -0.37 -0.15 -0.97 -3.11 0.00 0.00 179.97 175.36 1u57 h ASN 43 N -0.58 0.94 -0.84 -3.80 -1.24 -1.83 -2.37 115.58 105.85 1u57 h ASN 43 Ca -0.02 -0.32 0.07 0.00 0.71 0.00 0.00 56.30 56.75 1u57 h ASN 43 Cb 0.56 -0.26 -0.06 0.00 0.73 0.00 0.00 38.32 39.30 1u57 h ASN 43 CO -0.15 1.08 0.55 1.56 -1.29 0.00 0.00 177.43 179.17 1u57 h GLN 44 N 0.82 0.87 -4.01 6.67 4.20 -1.76 -3.47 115.11 118.42 1u57 h GLN 44 Ca 0.12 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 1u57 h GLN 44 Cb 0.70 -0.20 0.09 0.00 0.30 0.00 0.00 27.48 28.37 1u57 h GLN 44 CO 0.05 0.58 -0.42 0.54 -0.67 0.00 0.00 178.83 178.91 1u57 n ARG 45 N -4.49 -2.96 0.00 1.46 1.74 0.06 -5.05 116.66 107.42 1u57 n ARG 45 Ca 0.13 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1u57 n ARG 45 Cb 0.24 -4.17 0.00 0.00 -1.02 0.00 0.00 32.46 27.51 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1u57 n LYS 46 N -2.60 0.00 -3.62 5.56 4.81 -0.83 -5.06 118.16 116.43 1u57 n LYS 46 Ca -0.13 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.20 1u57 n LYS 46 Cb 0.58 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.58 1u57 n LYS 46 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1u57 s ILE 47 N 3.92 0.06 -2.00 3.15 -4.36 -1.26 -4.99 121.20 115.72 1u57 s ILE 47 Ca 0.00 -0.45 0.11 0.00 -0.26 0.00 0.00 60.65 60.04 1u57 s ILE 47 Cb 0.00 -1.07 0.30 0.00 1.25 0.00 0.00 42.46 42.94 1u57 s ILE 47 CO 0.00 -0.25 1.07 1.33 0.24 0.00 0.00 174.94 177.33