#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 2.77 0.00 3.23 0.28 -1.26 -4.74 120.64 120.92 1u57 n GLU 2 Ca 0.00 -1.96 0.00 0.00 -0.16 0.00 0.00 57.16 55.04 1u57 n GLU 2 Cb 0.00 -2.77 0.00 0.00 1.43 0.00 0.00 31.44 30.10 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1u57 n GLU 3 N 4.57 0.68 -0.11 3.44 0.28 -1.26 -1.34 120.64 126.90 1u57 n GLU 3 Ca 0.60 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 57.36 1u57 n GLU 3 Cb 0.24 -1.07 -0.08 0.00 1.43 0.00 0.00 31.44 31.96 1u57 n GLU 3 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1u57 n MET 4 N -0.36 0.47 -0.21 3.44 1.56 -1.26 -3.82 117.12 116.93 1u57 n MET 4 Ca 0.00 0.21 -0.09 0.00 -0.27 0.00 0.00 57.70 57.55 1u57 n MET 4 Cb 0.04 -1.29 0.04 0.00 2.15 0.00 0.00 33.22 34.16 1u57 n MET 4 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 1u57 h MET 5 N -0.80 1.07 -0.58 2.12 2.86 -1.70 0.26 114.93 118.17 1u57 h MET 5 Ca -0.57 -0.33 -0.10 0.00 -2.06 0.00 0.00 59.70 56.65 1u57 h MET 5 Cb 1.49 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 1u57 h MET 5 CO -0.34 1.03 -0.04 1.15 1.06 0.00 0.00 176.91 179.77 1u57 h THR 6 N 0.98 1.27 0.45 2.22 2.02 -1.45 -2.48 112.91 115.92 1u57 h THR 6 Ca 0.18 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 1u57 h THR 6 Cb 0.54 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1u57 h THR 6 CO 0.03 0.43 -0.22 0.00 0.37 0.00 0.00 175.52 176.13 1u57 h ALA 7 N 1.01 -0.82 -0.44 6.16 0.00 -1.62 -3.32 119.26 120.22 1u57 h ALA 7 Ca 0.16 -0.13 -0.72 0.00 0.00 0.00 0.00 54.91 54.22 1u57 h ALA 7 Cb 0.59 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1u57 h ALA 7 CO 0.04 -0.77 2.84 0.00 0.00 0.00 0.00 179.25 181.35 1u57 s GLN 9 N -0.16 0.45 -0.08 0.00 -2.07 -0.94 -4.75 119.66 112.12 1u57 s GLN 9 Ca 0.59 -0.39 0.01 0.00 -1.82 0.00 0.00 55.36 53.76 1u57 s GLN 9 Cb 0.19 -1.82 0.13 0.00 -1.09 0.00 0.00 33.01 30.41 1u57 s GLN 9 CO -0.09 -2.55 1.09 0.41 -1.32 0.00 0.00 175.29 172.84 1u57 n GLY 10 N -3.51 2.34 0.18 2.60 0.00 -1.26 -4.04 105.19 101.50 1u57 n GLY 10 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.29 1.36 -2.14 1.61 3.04 -1.95 -3.49 116.25 114.98 1u57 h VAL 11 Ca 0.10 -1.80 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 1u57 h VAL 11 Cb 1.24 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 1u57 h VAL 11 CO 0.19 0.54 0.00 0.61 -1.01 0.00 0.00 177.57 177.89 1u57 n GLY 12 N 0.10 -2.07 3.62 3.17 0.00 -1.26 -5.06 105.19 103.69 1u57 n GLY 12 Ca -0.02 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 1.64 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 0.83 1.67 -0.56 0.00 0.00 0.00 173.10 175.04 1u57 h PRO 14 N -2.09 -0.13 -1.08 2.90 0.13 -1.97 0.11 132.00 129.87 1u57 h PRO 14 Ca -0.50 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 64.94 1u57 h PRO 14 Cb 1.29 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.34 1u57 h PRO 14 CO 0.46 -0.09 0.68 0.78 -0.23 0.00 0.00 178.00 179.60 1u57 h GLY 15 N -0.14 1.38 0.97 1.56 0.00 -1.99 0.25 103.07 105.09 1u57 h GLY 15 Ca 0.11 -0.21 -0.31 0.00 0.00 0.00 0.00 47.33 46.92 1u57 h GLY 15 CO -0.26 -0.22 -1.73 0.84 0.00 0.00 0.00 176.54 175.17 1u57 h HIS 16 N 0.36 0.20 -0.04 5.60 -0.00 -1.70 -3.20 115.15 116.36 1u57 h HIS 16 Ca 0.65 -0.14 0.01 0.00 -0.00 0.00 0.00 60.37 60.89 1u57 h HIS 16 Cb 1.66 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 29.06 1u57 h HIS 16 CO -0.00 1.27 0.03 0.87 -0.00 0.00 0.00 177.93 180.10 1u57 h LYS 17 N 0.03 0.00 -0.18 5.26 1.79 0.80 0.34 116.57 124.61 1u57 h LYS 17 Ca -0.30 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.06 1u57 h LYS 17 Cb 2.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.66 1u57 h LYS 17 CO 0.10 0.00 -0.30 0.00 -1.08 0.00 0.00 179.45 178.16 1u57 h ALA 18 N 1.97 0.28 -0.36 3.86 0.00 -0.68 -1.61 119.26 122.72 1u57 h ALA 18 Ca 0.02 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 1u57 h ALA 18 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u57 h ALA 18 CO -0.00 0.31 -0.37 -0.09 0.00 0.00 0.00 179.25 179.10 1u57 h ARG 19 N 0.19 0.86 -0.15 0.00 2.43 -1.10 -1.34 114.38 115.26 1u57 h ARG 19 Ca 0.01 -0.44 -0.20 0.00 -0.81 0.00 0.00 59.98 58.55 1u57 h ARG 19 Cb 0.89 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1u57 h ARG 19 CO 0.07 1.08 -0.71 -0.24 -1.51 0.00 0.00 179.97 178.66 1u57 h VAL 20 N 0.70 1.31 0.57 0.20 3.04 -0.46 -1.52 116.25 120.09 1u57 h VAL 20 Ca 0.06 -1.98 -0.03 0.00 -1.01 0.00 0.00 66.70 63.74 1u57 h VAL 20 Cb 0.94 1.96 0.01 0.00 -2.01 0.00 0.00 31.29 32.19 1u57 h VAL 20 CO 0.09 0.62 -0.27 0.25 -1.01 0.00 0.00 177.57 177.24 1u57 h LEU 21 N 0.46 -0.65 -1.02 3.16 5.85 -1.29 -2.35 115.31 119.47 1u57 h LEU 21 Ca -0.03 -0.04 0.28 0.00 0.84 0.00 0.00 57.88 58.93 1u57 h LEU 21 Cb 1.31 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 42.38 1u57 h LEU 21 CO 0.14 -0.32 0.59 0.00 -0.34 0.00 0.00 178.44 178.51 1u57 h ALA 22 N -0.72 1.88 -0.23 1.25 0.00 -1.12 0.44 119.26 120.75 1u57 h ALA 22 Ca -0.08 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1u57 h ALA 22 Cb 0.65 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1u57 h ALA 22 CO 0.13 -0.41 0.08 1.49 0.00 0.00 0.00 179.25 180.54 1u57 h GLU 23 N 0.47 0.36 -0.15 0.00 4.81 -1.24 -2.66 114.58 116.18 1u57 h GLU 23 Ca 0.68 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.63 1u57 h GLU 23 Cb 1.43 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.76 1u57 h GLU 23 CO -0.52 0.43 -0.75 0.00 -0.73 0.00 0.00 179.01 177.44 1u57 h ALA 24 N 0.91 0.39 -0.13 2.92 0.00 0.24 -2.40 119.26 121.19 1u57 h ALA 24 Ca 0.08 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 1u57 h ALA 24 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1u57 h ALA 24 CO -0.00 0.70 -0.57 0.00 0.00 0.00 0.00 179.25 179.38 1u57 h MET 25 N 0.49 0.42 -0.79 0.00 -0.00 -0.54 0.19 114.93 114.70 1u57 h MET 25 Ca -0.04 -0.27 -0.02 0.00 -0.00 0.00 0.00 59.70 59.36 1u57 h MET 25 Cb 1.36 0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 32.96 1u57 h MET 25 CO 0.15 0.87 0.41 1.03 -0.00 0.00 0.00 176.91 179.38 1u57 h SER 26 N 0.32 1.00 0.11 -0.10 0.87 -1.47 -1.46 113.55 112.83 1u57 h SER 26 Ca 0.00 -0.10 -0.30 0.00 -1.23 0.00 0.00 61.79 60.17 1u57 h SER 26 Cb 1.09 -0.26 0.03 0.00 -0.44 0.00 0.00 62.40 62.83 1u57 h SER 26 CO 0.10 0.82 -1.22 -0.61 -0.53 0.00 0.00 176.83 175.39 1u57 h GLN 27 N 1.12 0.63 -0.03 2.24 4.15 -0.88 -1.33 115.11 121.00 1u57 h GLN 27 Ca 0.28 -0.83 -0.02 0.00 0.77 0.00 0.00 58.65 58.85 1u57 h GLN 27 Cb 0.06 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 1u57 h GLN 27 CO -0.04 1.38 -0.04 0.28 -1.93 0.00 0.00 178.83 178.47 1u57 h VAL 28 N 0.28 1.40 -0.43 2.39 2.07 -0.59 0.74 116.25 122.10 1u57 h VAL 28 Ca -0.18 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1u57 h VAL 28 Cb 1.89 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.80 1u57 h VAL 28 CO 0.24 0.33 0.13 0.00 0.02 0.00 0.00 177.57 178.29 1u57 h THR 29 N -0.39 1.18 -0.57 2.57 1.03 -1.38 -1.77 112.91 113.58 1u57 h THR 29 Ca 0.00 -0.62 -0.04 0.00 -0.01 0.00 0.00 66.41 65.75 1u57 h THR 29 Cb 0.56 0.72 -0.02 0.00 -1.07 0.00 0.00 68.15 68.34 1u57 h THR 29 CO 0.01 0.23 0.22 -1.13 -0.01 0.00 0.00 175.52 174.84 1u57 h ASN 30 N 0.61 0.79 0.03 0.00 -0.73 -1.06 0.26 115.58 115.50 1u57 h ASN 30 Ca 0.14 -0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 1u57 h ASN 30 Cb 0.20 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 1u57 h ASN 30 CO -0.01 0.76 -0.05 0.28 -0.37 0.00 0.00 177.43 178.04 1u57 h SER 31 N 0.78 0.06 0.89 1.15 0.02 -0.03 0.15 113.55 116.57 1u57 h SER 31 Ca 0.19 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.92 1u57 h SER 31 Cb 0.22 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1u57 h SER 31 CO -0.01 0.12 -1.18 0.00 -1.14 0.00 0.00 176.83 174.62 1u57 h ALA 32 N 1.89 0.56 -0.32 3.77 0.00 -0.96 -3.27 119.26 120.91 1u57 h ALA 32 Ca 0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 54.91 53.88 1u57 h ALA 32 Cb 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1u57 h ALA 32 CO 0.01 1.22 0.01 0.00 0.00 0.00 0.00 179.25 180.49 1u57 h THR 33 N 0.00 1.19 -0.55 0.00 1.03 0.10 -0.93 112.91 113.75 1u57 h THR 33 Ca -0.11 -0.72 -0.01 0.00 -0.01 0.00 0.00 66.41 65.56 1u57 h THR 33 Cb 1.76 0.94 -0.03 0.00 -1.07 0.00 0.00 68.15 69.75 1u57 h THR 33 CO 0.10 0.25 0.30 0.40 -0.01 0.00 0.00 175.52 176.55 1u57 h ILE 34 N 0.47 1.17 -0.26 0.00 1.08 -1.09 -0.31 117.51 118.57 1u57 h ILE 34 Ca 0.10 -0.43 -0.08 0.00 -0.39 0.00 0.00 64.86 64.06 1u57 h ILE 34 Cb 0.30 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1u57 h ILE 34 CO 0.01 0.19 -0.17 0.24 -0.69 0.00 0.00 178.15 177.73 1u57 h MET 35 N 0.76 0.57 0.13 2.37 2.86 -1.25 0.11 114.93 120.48 1u57 h MET 35 Ca 0.20 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1u57 h MET 35 Cb 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1u57 h MET 35 CO -0.03 0.84 -0.06 0.52 1.06 0.00 0.00 176.91 179.24 1u57 h MET 36 N 0.30 -0.16 -0.31 1.72 2.86 -1.16 -2.12 114.93 116.06 1u57 h MET 36 Ca 0.05 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 1u57 h MET 36 Cb 0.69 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1u57 h MET 36 CO 0.05 -0.04 0.26 0.37 1.06 0.00 0.00 176.91 178.61 1u57 h GLN 37 N -0.25 0.00 -2.16 1.72 4.15 -1.02 -0.72 115.11 116.83 1u57 h GLN 37 Ca -0.02 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 1u57 h GLN 37 Cb 0.20 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 1u57 h GLN 37 CO 0.03 0.00 -0.18 -2.13 -1.93 0.00 0.00 178.83 174.62 1u57 n ARG 38 N -4.10 1.46 0.00 1.69 3.00 0.38 -3.29 116.66 115.80 1u57 n ARG 38 Ca 0.04 -0.66 0.00 0.00 -0.00 0.00 0.00 57.85 57.24 1u57 n ARG 38 Cb 0.42 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 31.13 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 2.42 -0.62 2.46 5.14 0.00 -1.17 -4.98 105.19 108.44 1u57 n GLY 39 Ca 0.28 0.32 -0.39 0.00 0.00 0.00 0.00 46.02 46.23 1u57 n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u57 n ASN 40 N 0.00 7.08 0.02 1.61 3.02 -0.29 -1.49 115.26 125.21 1u57 n ASN 40 Ca 0.00 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.93 1u57 n ASN 40 Cb 0.00 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.63 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1u57 n PHE 41 N 4.37 -1.62 0.19 3.10 -0.00 -1.23 -4.54 117.46 117.74 1u57 n PHE 41 Ca 0.69 0.14 -0.15 0.00 -0.00 0.00 0.00 57.45 58.13 1u57 n PHE 41 Cb 0.27 0.58 -0.07 0.00 -0.00 0.00 0.00 39.48 40.26 1u57 n PHE 41 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1u57 h ARG 42 N 0.00 -0.59 -0.23 -4.13 9.65 -1.71 -1.15 114.38 116.22 1u57 h ARG 42 Ca 0.00 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.88 1u57 h ARG 42 Cb 0.00 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1u57 h ARG 42 CO 0.00 -0.39 -0.01 -0.97 2.80 0.00 0.00 179.97 181.40 1u57 h ASN 43 N -0.61 0.41 0.12 -3.80 -1.24 -1.63 -3.31 115.58 105.50 1u57 h ASN 43 Ca -0.01 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.68 1u57 h ASN 43 Cb 0.56 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 1u57 h ASN 43 CO -0.05 0.63 -0.23 1.56 -1.29 0.00 0.00 177.43 178.04 1u57 h GLN 44 N 0.18 -0.37 -5.54 6.67 4.20 -1.72 -3.48 115.11 115.05 1u57 h GLN 44 Ca 0.06 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1u57 h GLN 44 Cb 0.42 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1u57 h GLN 44 CO 0.01 -0.24 -0.19 -2.13 -0.67 0.00 0.00 178.83 175.61 1u57 n ARG 45 N -3.76 -1.45 0.00 1.46 0.00 -0.44 -5.03 116.66 107.44 1u57 n ARG 45 Ca -0.04 1.47 0.00 0.00 -0.00 0.00 0.00 57.85 59.27 1u57 n ARG 45 Cb 0.19 -5.30 0.00 0.00 0.00 0.00 0.00 32.46 27.35 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 -1.72 0.00 -2.69 -0.14 4.81 -1.26 -4.90 118.16 112.27 1u57 n LYS 46 Ca -0.03 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.98 1u57 n LYS 46 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1u57 n LYS 46 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1u57 n ILE 47 N 0.00 4.20 -0.90 3.15 2.08 -1.26 -5.22 119.36 121.40 1u57 n ILE 47 Ca 0.00 -4.48 0.00 0.00 0.56 0.00 0.00 62.75 58.83 1u57 n ILE 47 Cb 0.00 -2.43 0.00 0.00 -0.75 0.00 0.00 39.64 36.46 1u57 n ILE 47 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44