#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 2.80 0.00 3.23 1.02 -1.26 -4.76 120.64 121.67 1u57 n GLU 2 Ca 0.00 -2.41 0.01 0.00 -0.02 0.00 0.00 57.16 54.74 1u57 n GLU 2 Cb 0.00 -3.14 0.03 0.00 -0.02 0.00 0.00 31.44 28.31 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1u57 n GLU 3 N 5.75 0.63 0.10 3.49 0.28 -1.26 -1.92 120.64 127.72 1u57 n GLU 3 Ca 0.56 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.33 1u57 n GLU 3 Cb 0.36 -1.03 -0.15 0.00 1.43 0.00 0.00 31.44 32.05 1u57 n GLU 3 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1u57 h MET 4 N 0.00 0.44 -0.36 3.44 2.86 -1.98 -1.79 114.93 117.55 1u57 h MET 4 Ca 0.00 -0.76 -0.12 0.00 -2.06 0.00 0.00 59.70 56.75 1u57 h MET 4 Cb 0.00 0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1u57 h MET 4 CO 0.00 1.36 -0.28 0.52 1.06 0.00 0.00 176.91 179.57 1u57 h MET 5 N -0.02 0.75 -0.33 1.72 2.86 -1.66 0.05 114.93 118.30 1u57 h MET 5 Ca -0.24 -0.33 -0.10 0.00 -2.06 0.00 0.00 59.70 56.97 1u57 h MET 5 Cb 2.00 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.63 1u57 h MET 5 CO 0.22 0.94 -0.17 1.15 1.06 0.00 0.00 176.91 180.11 1u57 h THR 6 N 0.64 1.29 0.50 2.22 2.02 -1.63 -2.45 112.91 115.51 1u57 h THR 6 Ca 0.08 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 1u57 h THR 6 Cb 0.80 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1u57 h THR 6 CO 0.07 0.42 -0.24 0.00 0.37 0.00 0.00 175.52 176.13 1u57 h ALA 7 N 0.77 -0.93 -0.65 6.16 0.00 -1.25 -3.29 119.26 120.07 1u57 h ALA 7 Ca 0.07 -0.15 -0.74 0.00 0.00 0.00 0.00 54.91 54.09 1u57 h ALA 7 Cb 0.71 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1u57 h ALA 7 CO 0.05 -0.88 2.45 0.00 0.00 0.00 0.00 179.25 180.87 1u57 n GLN 9 N 2.48 3.68 -3.60 0.00 7.27 -0.92 -4.42 117.38 121.88 1u57 n GLN 9 Ca 0.58 -2.75 -0.23 0.00 0.07 0.00 0.00 57.00 54.67 1u57 n GLN 9 Cb 0.28 -2.90 0.07 0.00 2.41 0.00 0.00 30.24 30.10 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 3.19 -0.48 0.12 1.69 0.00 -1.26 -4.93 105.19 103.52 1u57 n GLY 10 Ca 0.64 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.40 1.49 -0.15 1.61 3.04 -1.85 -3.40 116.25 114.60 1u57 h VAL 11 Ca -0.58 -2.79 -0.20 0.00 -1.01 0.00 0.00 66.70 62.12 1u57 h VAL 11 Cb 1.36 2.64 -0.22 0.00 -2.01 0.00 0.00 31.29 33.07 1u57 h VAL 11 CO 0.56 0.82 -0.52 0.61 -1.01 0.00 0.00 177.57 178.03 1u57 n GLY 12 N 1.14 1.85 2.03 3.17 0.00 -1.26 -4.97 105.19 107.15 1u57 n GLY 12 Ca -0.06 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.12 -1.36 0.49 -0.02 0.00 -1.26 -4.75 105.19 97.16 1u57 n GLY 13 Ca -0.09 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.13 -1.01 1.61 0.13 -1.99 0.12 132.00 129.74 1u57 h PRO 14 Ca -0.23 0.08 0.25 0.00 -0.87 0.00 0.00 66.00 65.23 1u57 h PRO 14 Cb 0.62 0.26 -0.12 0.00 0.13 0.00 0.00 31.00 31.89 1u57 h PRO 14 CO 0.16 -0.75 0.60 0.78 -0.23 0.00 0.00 178.00 178.56 1u57 h GLY 15 N -1.17 1.89 1.68 1.56 0.00 -1.97 -0.19 103.07 104.87 1u57 h GLY 15 Ca -0.11 -0.30 -0.20 0.00 0.00 0.00 0.00 47.33 46.72 1u57 h GLY 15 CO 0.14 -0.25 -0.87 0.84 0.00 0.00 0.00 176.54 176.40 1u57 h HIS 16 N 0.56 0.42 0.00 5.60 6.17 -1.77 -2.04 115.15 124.09 1u57 h HIS 16 Ca 0.65 -0.22 -0.03 0.00 0.71 0.00 0.00 60.37 61.48 1u57 h HIS 16 Cb 1.26 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 31.14 1u57 h HIS 16 CO -0.01 1.02 -0.14 -0.22 0.71 0.00 0.00 177.93 179.30 1u57 h LYS 17 N 0.17 0.00 -0.26 5.26 1.63 0.10 0.30 116.57 123.76 1u57 h LYS 17 Ca -0.05 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.55 1u57 h LYS 17 Cb 1.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 1u57 h LYS 17 CO 0.14 0.14 -0.60 0.00 -3.45 0.00 0.00 179.45 175.68 1u57 h ALA 18 N 1.86 0.43 -0.34 5.00 0.00 -1.14 -2.04 119.26 123.04 1u57 h ALA 18 Ca -0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 1u57 h ALA 18 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u57 h ALA 18 CO 0.02 0.68 -0.12 -0.09 0.00 0.00 0.00 179.25 179.73 1u57 h ARG 19 N 0.65 0.68 -0.41 0.00 9.65 -0.49 -1.33 114.38 123.13 1u57 h ARG 19 Ca 0.00 -0.28 -0.13 0.00 -1.10 0.00 0.00 59.98 58.47 1u57 h ARG 19 Cb 1.21 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1u57 h ARG 19 CO 0.13 0.87 -0.25 -0.24 2.80 0.00 0.00 179.97 183.28 1u57 h VAL 20 N 0.46 1.27 0.29 0.20 3.04 -0.51 -0.07 116.25 120.92 1u57 h VAL 20 Ca 0.08 -1.39 -0.01 0.00 -1.01 0.00 0.00 66.70 64.37 1u57 h VAL 20 Cb 0.64 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1u57 h VAL 20 CO 0.04 0.47 -0.14 0.25 -1.01 0.00 0.00 177.57 177.18 1u57 h LEU 21 N 0.73 -0.32 -1.09 3.16 5.85 -1.38 -2.05 115.31 120.20 1u57 h LEU 21 Ca 0.09 -0.18 0.20 0.00 0.84 0.00 0.00 57.88 58.83 1u57 h LEU 21 Cb 0.79 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.80 1u57 h LEU 21 CO 0.06 0.04 0.61 0.00 -0.34 0.00 0.00 178.44 178.82 1u57 h ALA 22 N -0.15 1.79 -0.40 1.25 0.00 -1.02 0.30 119.26 121.02 1u57 h ALA 22 Ca -0.04 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1u57 h ALA 22 Cb 0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1u57 h ALA 22 CO 0.06 -0.17 0.02 1.49 0.00 0.00 0.00 179.25 180.66 1u57 h GLU 23 N 0.68 0.70 -0.25 0.00 4.57 -0.97 -2.05 114.58 117.25 1u57 h GLU 23 Ca 0.58 -0.21 -0.14 0.00 -1.18 0.00 0.00 59.36 58.40 1u57 h GLU 23 Cb 1.01 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1u57 h GLU 23 CO -0.36 0.77 -0.43 0.00 -1.18 0.00 0.00 179.01 177.81 1u57 h ALA 24 N 0.90 0.78 0.00 2.92 0.00 -0.24 -1.19 119.26 122.43 1u57 h ALA 24 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1u57 h ALA 24 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u57 h ALA 24 CO 0.02 0.66 0.00 -1.33 0.00 0.00 0.00 179.25 178.59 1u57 n MET 25 N -4.02 0.83 -0.03 0.00 2.81 0.85 -0.43 117.12 117.13 1u57 n MET 25 Ca -0.02 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.89 1u57 n MET 25 Cb 0.54 -1.40 -0.11 0.00 -0.71 0.00 0.00 33.22 31.54 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 -0.90 1.77 -0.08 7.83 2.88 -0.72 -4.45 113.62 119.95 1u57 n SER 26 Ca 0.16 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.49 1u57 n SER 26 Cb 0.07 1.34 -0.13 0.00 -0.75 0.00 0.00 64.21 64.75 1u57 n SER 26 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1u57 n GLN 27 N -2.18 0.68 -0.05 -1.46 7.27 -0.53 -3.52 117.38 117.59 1u57 n GLN 27 Ca -0.10 0.24 -0.14 0.00 0.07 0.00 0.00 57.00 57.07 1u57 n GLN 27 Cb 0.58 -1.61 -0.07 0.00 2.41 0.00 0.00 30.24 31.54 1u57 n GLN 27 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1u57 h VAL 28 N -0.16 1.36 -0.61 1.69 2.07 -1.02 0.86 116.25 120.44 1u57 h VAL 28 Ca -0.51 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 65.49 1u57 h VAL 28 Cb 1.87 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.60 1u57 h VAL 28 CO -0.07 0.46 0.40 0.71 0.02 0.00 0.00 177.57 179.10 1u57 h THR 29 N 0.08 1.08 -0.19 2.57 1.35 -1.78 0.03 112.91 116.05 1u57 h THR 29 Ca 0.01 -0.24 -0.17 0.00 -0.55 0.00 0.00 66.41 65.45 1u57 h THR 29 Cb 0.88 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1u57 h THR 29 CO 0.07 0.13 -0.55 -1.13 -0.25 0.00 0.00 175.52 173.78 1u57 h ASN 30 N 0.71 0.81 0.09 5.36 -1.24 -1.53 0.66 115.58 120.44 1u57 h ASN 30 Ca 0.24 -0.59 -0.02 0.00 0.71 0.00 0.00 56.30 56.65 1u57 h ASN 30 Cb 0.09 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 1u57 h ASN 30 CO -0.07 1.26 -0.09 0.77 -1.29 0.00 0.00 177.43 178.01 1u57 h SER 31 N 0.41 0.00 0.80 1.15 4.64 -0.01 -0.18 113.55 120.37 1u57 h SER 31 Ca -0.02 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.06 1u57 h SER 31 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1u57 h SER 31 CO 0.12 0.09 -1.26 0.00 -0.87 0.00 0.00 176.83 174.91 1u57 h ALA 32 N 1.91 0.47 -0.39 5.18 0.00 -0.93 -3.25 119.26 122.25 1u57 h ALA 32 Ca -0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 54.91 53.78 1u57 h ALA 32 Cb 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u57 h ALA 32 CO 0.01 1.34 0.10 0.00 0.00 0.00 0.00 179.25 180.70 1u57 h THR 33 N 0.01 1.18 -0.50 0.00 1.03 0.46 -0.48 112.91 114.61 1u57 h THR 33 Ca -0.11 -0.63 -0.01 0.00 -0.01 0.00 0.00 66.41 65.65 1u57 h THR 33 Cb 1.86 0.78 -0.02 0.00 -1.07 0.00 0.00 68.15 69.70 1u57 h THR 33 CO 0.12 0.23 0.27 0.40 -0.01 0.00 0.00 175.52 176.53 1u57 h ILE 34 N 0.57 1.15 -0.39 0.00 2.04 -1.13 -1.23 117.51 118.52 1u57 h ILE 34 Ca 0.13 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 1u57 h ILE 34 Cb 0.22 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1u57 h ILE 34 CO -0.00 0.17 -0.17 0.24 0.00 0.00 0.00 178.15 178.38 1u57 h MET 35 N 0.69 0.80 0.11 2.37 2.86 -1.14 0.57 114.93 121.19 1u57 h MET 35 Ca 0.18 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1u57 h MET 35 Cb 0.02 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1u57 h MET 35 CO -0.03 0.97 -0.05 0.52 1.06 0.00 0.00 176.91 179.38 1u57 h MET 36 N 0.61 -0.14 0.00 1.72 2.86 -1.09 -2.56 114.93 116.34 1u57 h MET 36 Ca 0.09 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1u57 h MET 36 Cb 0.72 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1u57 h MET 36 CO 0.05 -0.05 -0.07 0.37 1.06 0.00 0.00 176.91 178.27 1u57 h GLN 37 N -0.18 0.00 -6.48 1.72 4.15 -1.17 -3.14 115.11 110.00 1u57 h GLN 37 Ca -0.01 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.88 1u57 h GLN 37 Cb 0.15 0.00 0.04 0.00 0.21 0.00 0.00 27.48 27.87 1u57 h GLN 37 CO 0.02 0.07 1.15 0.50 -1.93 0.00 0.00 178.83 178.64 1u57 s ARG 38 N -4.80 4.13 0.00 1.69 6.06 0.20 -0.30 118.95 125.94 1u57 s ARG 38 Ca -0.04 2.62 0.00 0.00 -2.50 0.00 0.00 55.73 55.80 1u57 s ARG 38 Cb 0.16 -3.72 0.00 0.00 0.06 0.00 0.00 34.95 31.45 1u57 s ARG 38 CO 0.66 -0.88 0.00 0.41 -2.50 0.00 0.00 175.30 172.99 1u57 n GLY 39 N 4.32 2.89 3.75 8.12 0.00 -1.26 -4.58 105.19 118.42 1u57 n GLY 39 Ca 0.18 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 0.53 -2.95 0.07 1.61 5.15 0.60 -4.76 115.26 115.51 1u57 n ASN 40 Ca 0.00 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.02 1u57 n ASN 40 Cb 0.00 -3.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.73 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 -4.23 -2.85 -0.22 1.20 7.35 -1.26 -4.70 117.46 112.75 1u57 n PHE 41 Ca -0.20 0.45 -0.06 0.00 -0.76 0.00 0.00 57.45 56.88 1u57 n PHE 41 Cb 0.64 1.44 0.09 0.00 0.35 0.00 0.00 39.48 42.00 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 1.05 0.26 -4.13 2.43 -1.85 0.21 114.38 112.35 1u57 h ARG 42 Ca 0.00 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1u57 h ARG 42 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1u57 h ARG 42 CO 0.00 0.93 -0.12 -0.97 -1.51 0.00 0.00 179.97 178.29 1u57 h ASN 43 N 1.00 -0.29 -0.70 -3.80 -0.73 -1.82 -3.18 115.58 106.06 1u57 h ASN 43 Ca 0.21 -0.11 0.07 0.00 1.87 0.00 0.00 56.30 58.34 1u57 h ASN 43 Cb 0.34 0.08 -0.06 0.00 0.27 0.00 0.00 38.32 38.95 1u57 h ASN 43 CO -0.00 -0.06 0.38 1.56 -0.37 0.00 0.00 177.43 178.94 1u57 h GLN 44 N -0.53 0.67 -2.85 6.67 1.08 -1.80 -3.48 115.11 114.86 1u57 h GLN 44 Ca -0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1u57 h GLN 44 Cb 0.39 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1u57 h GLN 44 CO 0.06 0.44 0.00 -2.13 -0.95 0.00 0.00 178.83 176.25 1u57 n ARG 45 N -4.79 0.00 -1.50 1.46 0.63 0.05 -4.95 116.66 107.54 1u57 n ARG 45 Ca 0.10 0.48 -0.27 0.00 -0.92 0.00 0.00 57.85 57.23 1u57 n ARG 45 Cb 0.21 -1.06 -0.06 0.00 0.45 0.00 0.00 32.46 31.99 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1u57 n LYS 46 N -0.11 2.55 -2.61 -0.14 3.00 -1.22 -4.67 118.16 114.95 1u57 n LYS 46 Ca 0.00 -2.36 -0.05 0.00 -0.00 0.00 0.00 58.31 55.90 1u57 n LYS 46 Cb 0.00 -2.17 0.01 0.00 0.00 0.00 0.00 35.03 32.86 1u57 n LYS 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1u57 n ILE 47 N 1.03 -8.99 -1.57 3.15 2.08 -1.26 -5.13 119.36 108.68 1u57 n ILE 47 Ca 0.50 0.49 0.00 0.00 0.56 0.00 0.00 62.75 64.30 1u57 n ILE 47 Cb 0.55 -6.52 0.00 0.00 -0.75 0.00 0.00 39.64 32.91 1u57 n ILE 47 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66