#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 2.96 0.00 1.47 4.71 -1.26 -4.81 120.64 123.72 1u57 n GLU 2 Ca 0.00 -2.96 0.00 0.00 -0.01 0.00 0.00 57.16 54.19 1u57 n GLU 2 Cb 0.00 -3.42 0.00 0.00 -1.01 0.00 0.00 31.44 27.01 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1u57 n GLU 3 N 7.52 0.57 -0.12 3.49 0.28 -1.26 -3.23 120.64 127.90 1u57 n GLU 3 Ca 0.50 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.39 1u57 n GLU 3 Cb 0.43 -1.09 -0.03 0.00 1.43 0.00 0.00 31.44 32.19 1u57 n GLU 3 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1u57 h MET 4 N 0.14 0.61 -0.29 3.44 4.05 -1.99 -0.34 114.93 120.55 1u57 h MET 4 Ca 0.00 -0.20 -0.07 0.00 -0.28 0.00 0.00 59.70 59.15 1u57 h MET 4 Cb 0.09 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1u57 h MET 4 CO 0.00 0.74 -0.12 0.00 0.23 0.00 0.00 176.91 177.77 1u57 h MET 5 N 0.41 0.49 -0.22 0.39 -0.00 -1.84 -0.32 114.93 113.84 1u57 h MET 5 Ca 0.09 -0.14 -0.18 0.00 -0.00 0.00 0.00 59.70 59.47 1u57 h MET 5 Cb 0.48 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 1u57 h MET 5 CO 0.02 0.60 -0.58 1.15 -0.00 0.00 0.00 176.91 178.10 1u57 h THR 6 N 0.45 1.29 0.45 -0.10 2.02 -1.72 -2.98 112.91 112.34 1u57 h THR 6 Ca 0.09 -1.79 -0.02 0.00 0.77 0.00 0.00 66.41 65.46 1u57 h THR 6 Cb 0.48 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1u57 h THR 6 CO 0.03 0.57 -0.22 0.00 0.37 0.00 0.00 175.52 176.27 1u57 h ALA 7 N 0.61 -0.61 -0.32 6.16 0.00 -0.97 -3.27 119.26 120.86 1u57 h ALA 7 Ca -0.01 -0.19 -0.71 0.00 0.00 0.00 0.00 54.91 54.01 1u57 h ALA 7 Cb 1.20 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1u57 h ALA 7 CO 0.13 -0.71 3.13 0.00 0.00 0.00 0.00 179.25 181.80 1u57 n GLN 9 N 2.82 0.28 0.25 0.00 7.27 -1.13 -4.75 117.38 122.12 1u57 n GLN 9 Ca 0.69 0.11 -0.12 0.00 0.07 0.00 0.00 57.00 57.76 1u57 n GLN 9 Cb 0.25 -0.98 -0.06 0.00 2.41 0.00 0.00 30.24 31.86 1u57 n GLN 9 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1u57 h GLY 10 N -0.53 -0.73 -6.83 1.69 0.00 -1.83 -3.47 103.07 91.37 1u57 h GLY 10 Ca 0.00 0.27 -0.57 0.00 0.00 0.00 0.00 47.33 47.03 1u57 h GLY 10 CO 0.00 -0.26 -0.90 1.55 0.00 0.00 0.00 176.54 176.93 1u57 n VAL 11 N -5.24 -1.48 -1.37 4.60 3.14 -1.26 -3.36 118.33 113.35 1u57 n VAL 11 Ca -0.09 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1u57 n VAL 11 Cb 0.29 -1.62 0.00 0.00 -1.06 0.00 0.00 33.84 31.45 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 -1.84 -2.61 3.68 7.55 0.00 -1.26 -5.04 105.19 105.67 1u57 n GLY 12 Ca -0.14 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 1.68 0.09 -0.02 0.00 -1.21 -4.71 107.32 103.15 1u57 s GLY 13 Ca 0.00 0.54 -0.26 0.00 0.00 0.00 0.00 44.72 45.00 1u57 s GLY 13 CO 0.00 0.95 1.69 -0.56 0.00 0.00 0.00 173.10 175.18 1u57 h PRO 14 N -1.81 -0.30 -0.85 2.90 0.13 -1.96 0.90 132.00 131.00 1u57 h PRO 14 Ca -0.44 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 64.92 1u57 h PRO 14 Cb 1.27 0.07 -0.12 0.00 0.13 0.00 0.00 31.00 32.34 1u57 h PRO 14 CO 0.43 -0.20 0.29 0.78 -0.23 0.00 0.00 178.00 179.07 1u57 h GLY 15 N -0.32 1.34 1.77 1.56 0.00 -1.99 0.27 103.07 105.70 1u57 h GLY 15 Ca -0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 47.33 46.97 1u57 h GLY 15 CO 0.00 -0.27 -1.13 0.84 0.00 0.00 0.00 176.54 175.98 1u57 h HIS 16 N 0.32 0.31 0.00 5.60 -0.00 -1.87 -2.96 115.15 116.56 1u57 h HIS 16 Ca 0.51 -0.22 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 1u57 h HIS 16 Cb 0.96 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1u57 h HIS 16 CO -0.20 1.16 -0.05 0.87 -0.00 0.00 0.00 177.93 179.71 1u57 h LYS 17 N 0.05 0.00 -0.20 5.26 1.57 0.11 0.26 116.57 123.62 1u57 h LYS 17 Ca -0.09 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.49 1u57 h LYS 17 Cb 1.87 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.18 1u57 h LYS 17 CO 0.17 0.05 -0.66 0.00 -0.57 0.00 0.00 179.45 178.44 1u57 h ALA 18 N 1.95 0.35 -0.27 3.86 0.00 -0.51 -1.32 119.26 123.33 1u57 h ALA 18 Ca -0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1u57 h ALA 18 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1u57 h ALA 18 CO 0.01 0.64 -0.12 -0.09 0.00 0.00 0.00 179.25 179.69 1u57 h ARG 19 N 0.55 0.56 -0.35 0.00 2.43 -0.97 -1.24 114.38 115.36 1u57 h ARG 19 Ca -0.03 -0.24 -0.13 0.00 -0.81 0.00 0.00 59.98 58.77 1u57 h ARG 19 Cb 1.28 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1u57 h ARG 19 CO 0.14 0.80 -0.31 -0.24 -1.51 0.00 0.00 179.97 178.85 1u57 h VAL 20 N 0.30 1.28 0.09 0.20 3.04 -0.61 -0.97 116.25 119.57 1u57 h VAL 20 Ca 0.06 -1.46 -0.00 0.00 -1.01 0.00 0.00 66.70 64.29 1u57 h VAL 20 Cb 0.63 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1u57 h VAL 20 CO 0.04 0.48 -0.04 0.25 -1.01 0.00 0.00 177.57 177.29 1u57 h LEU 21 N 0.65 -0.10 -1.09 3.16 5.85 -1.25 -2.25 115.31 120.28 1u57 h LEU 21 Ca 0.07 -0.31 0.17 0.00 0.84 0.00 0.00 57.88 58.65 1u57 h LEU 21 Cb 0.84 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 1u57 h LEU 21 CO 0.07 0.27 0.61 0.00 -0.34 0.00 0.00 178.44 179.06 1u57 h ALA 22 N 0.38 1.72 -0.08 1.25 0.00 -0.94 0.42 119.26 122.02 1u57 h ALA 22 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u57 h ALA 22 Cb 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u57 h ALA 22 CO 0.02 -0.04 0.04 1.49 0.00 0.00 0.00 179.25 180.75 1u57 h GLU 23 N 0.77 0.11 -0.19 0.00 4.81 -1.12 -1.84 114.58 117.12 1u57 h GLU 23 Ca 0.54 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.59 1u57 h GLU 23 Cb 0.83 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1u57 h GLU 23 CO -0.31 0.20 -0.54 0.00 -0.73 0.00 0.00 179.01 177.63 1u57 h ALA 24 N 0.90 0.69 0.57 2.92 0.00 -0.51 -2.06 119.26 121.77 1u57 h ALA 24 Ca 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1u57 h ALA 24 Cb 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u57 h ALA 24 CO -0.00 0.69 -0.27 0.52 0.00 0.00 0.00 179.25 180.18 1u57 h MET 25 N 0.44 -0.73 -0.93 0.00 2.86 -0.20 0.10 114.93 116.46 1u57 h MET 25 Ca 0.01 0.05 0.24 0.00 -2.06 0.00 0.00 59.70 57.94 1u57 h MET 25 Cb 1.09 0.17 -0.13 0.00 0.06 0.00 0.00 31.60 32.79 1u57 h MET 25 CO 0.10 -0.45 0.46 0.77 1.06 0.00 0.00 176.91 178.85 1u57 h SER 26 N -0.85 0.43 -0.14 1.22 0.02 -1.29 0.41 113.55 113.35 1u57 h SER 26 Ca -0.08 0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1u57 h SER 26 Cb 0.62 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1u57 h SER 26 CO 0.13 0.01 -0.25 -0.61 -1.14 0.00 0.00 176.83 174.97 1u57 h GLN 27 N 0.44 0.42 -0.08 3.45 5.75 -0.88 -1.11 115.11 123.09 1u57 h GLN 27 Ca 0.60 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.82 1u57 h GLN 27 Cb 1.16 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 1u57 h GLN 27 CO -0.52 0.86 -0.02 0.28 -2.65 0.00 0.00 178.83 176.77 1u57 h VAL 28 N 0.03 1.29 -0.66 2.39 2.07 0.08 -0.19 116.25 121.26 1u57 h VAL 28 Ca 0.01 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1u57 h VAL 28 Cb 0.83 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1u57 h VAL 28 CO 0.06 0.26 0.43 0.74 0.02 0.00 0.00 177.57 179.08 1u57 h THR 29 N -0.17 1.04 -0.18 2.57 2.02 -1.03 -0.46 112.91 116.70 1u57 h THR 29 Ca 0.02 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 1u57 h THR 29 Cb 0.42 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1u57 h THR 29 CO 0.01 0.13 -0.20 -1.13 0.37 0.00 0.00 175.52 174.69 1u57 h ASN 30 N 0.71 0.48 0.01 4.18 -1.24 -0.85 0.13 115.58 119.01 1u57 h ASN 30 Ca 0.27 -0.49 -0.00 0.00 0.71 0.00 0.00 56.30 56.79 1u57 h ASN 30 Cb 0.19 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 1u57 h ASN 30 CO -0.08 0.88 -0.01 0.28 -1.29 0.00 0.00 177.43 177.21 1u57 h SER 31 N 0.10 0.00 0.79 1.15 0.02 -0.36 0.18 113.55 115.42 1u57 h SER 31 Ca 0.02 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.77 1u57 h SER 31 Cb 0.76 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 1u57 h SER 31 CO 0.05 0.01 -1.32 0.00 -1.14 0.00 0.00 176.83 174.43 1u57 h ALA 32 N 1.99 0.65 -0.23 3.77 0.00 -0.96 -3.29 119.26 121.20 1u57 h ALA 32 Ca -0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 54.91 53.84 1u57 h ALA 32 Cb 0.02 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1u57 h ALA 32 CO 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 179.25 180.28 1u57 h THR 33 N 0.00 1.20 -0.88 0.00 1.03 0.94 -0.57 112.91 114.63 1u57 h THR 33 Ca -0.16 -0.89 0.03 0.00 -0.01 0.00 0.00 66.41 65.38 1u57 h THR 33 Cb 1.73 1.17 -0.05 0.00 -1.07 0.00 0.00 68.15 69.92 1u57 h THR 33 CO 0.07 0.29 0.57 0.40 -0.01 0.00 0.00 175.52 176.84 1u57 h ILE 34 N 0.35 1.15 -0.57 0.00 2.04 -1.11 -0.39 117.51 118.98 1u57 h ILE 34 Ca 0.07 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1u57 h ILE 34 Cb 0.42 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1u57 h ILE 34 CO 0.02 0.20 0.08 0.24 0.00 0.00 0.00 178.15 178.70 1u57 h MET 35 N 1.11 0.95 -0.53 2.37 2.86 -1.20 0.24 114.93 120.72 1u57 h MET 35 Ca 0.35 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1u57 h MET 35 Cb -0.01 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1u57 h MET 35 CO -0.11 0.91 -0.01 0.00 1.06 0.00 0.00 176.91 178.76 1u57 h MET 36 N 0.84 0.95 -0.04 1.72 -0.00 -1.05 -2.98 114.93 114.37 1u57 h MET 36 Ca 0.17 -0.31 -0.10 0.00 -0.00 0.00 0.00 59.70 59.46 1u57 h MET 36 Cb 0.43 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 31.94 1u57 h MET 36 CO 0.01 0.96 -0.46 0.37 -0.00 0.00 0.00 176.91 177.80 1u57 h GLN 37 N 0.82 0.08 -2.03 -0.10 4.15 -0.71 -0.93 115.11 116.40 1u57 h GLN 37 Ca 0.15 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 1u57 h GLN 37 Cb 0.54 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.18 1u57 h GLN 37 CO 0.03 0.53 -0.25 -2.13 -1.93 0.00 0.00 178.83 175.08 1u57 n ARG 38 N -3.99 1.63 0.00 1.69 0.63 0.80 -3.11 116.66 114.31 1u57 n ARG 38 Ca -0.02 -0.67 0.00 0.00 -0.92 0.00 0.00 57.85 56.24 1u57 n ARG 38 Cb 0.49 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.71 1u57 n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u57 n GLY 39 N 2.23 -1.22 2.83 5.14 0.00 -1.24 -5.00 105.19 107.93 1u57 n GLY 39 Ca 0.29 0.45 -0.42 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 0.00 3.52 0.05 1.61 5.15 -0.35 -1.55 115.26 123.68 1u57 n ASN 40 Ca 0.00 -2.80 0.00 0.00 -0.60 0.00 0.00 54.58 51.18 1u57 n ASN 40 Cb 0.00 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 37.73 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 6.50 -2.19 -0.10 1.20 7.35 -1.23 -4.50 117.46 124.49 1u57 n PHE 41 Ca 0.51 0.33 -0.10 0.00 -0.76 0.00 0.00 57.45 57.43 1u57 n PHE 41 Cb 0.39 1.06 -0.02 0.00 0.35 0.00 0.00 39.48 41.26 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 0.46 -0.50 -4.13 2.43 -1.74 -2.99 114.38 107.91 1u57 h ARG 42 Ca 0.00 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 1u57 h ARG 42 Cb 0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1u57 h ARG 42 CO 0.00 0.48 -0.02 -0.97 -1.51 0.00 0.00 179.97 177.95 1u57 h ASN 43 N 0.34 0.88 -3.14 -3.80 -0.73 -1.64 -3.46 115.58 104.03 1u57 h ASN 43 Ca 0.10 -0.32 -0.42 0.00 1.87 0.00 0.00 56.30 57.54 1u57 h ASN 43 Cb 0.20 -0.24 0.22 0.00 0.27 0.00 0.00 38.32 38.76 1u57 h ASN 43 CO -0.01 0.98 -0.04 -1.10 -0.37 0.00 0.00 177.43 176.89 1u57 s GLN 44 N -4.98 -1.63 -0.71 6.67 -1.52 -1.13 -4.55 119.66 111.81 1u57 s GLN 44 Ca -0.12 0.63 -0.02 0.00 -1.95 0.00 0.00 55.36 53.90 1u57 s GLN 44 Cb 0.12 -1.49 0.00 0.00 -0.22 0.00 0.00 33.01 31.42 1u57 s GLN 44 CO 0.83 -4.14 0.69 0.54 -0.25 0.00 0.00 175.29 172.95 1u57 n ARG 45 N -5.19 -1.45 -1.58 2.91 1.74 -1.26 -4.89 116.66 106.94 1u57 n ARG 45 Ca 0.05 1.55 -0.30 0.00 -0.77 0.00 0.00 57.85 58.38 1u57 n ARG 45 Cb 0.56 -5.64 -0.05 0.00 -1.02 0.00 0.00 32.46 26.31 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 -1.63 3.07 -2.22 5.56 4.81 -1.26 -4.42 118.16 122.07 1u57 n LYS 46 Ca 0.00 -2.52 -0.06 0.00 -0.87 0.00 0.00 58.31 54.86 1u57 n LYS 46 Cb 0.50 -2.30 0.03 0.00 0.02 0.00 0.00 35.03 33.28 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 1.42 -4.42 -1.55 3.15 2.08 -1.26 -5.31 119.36 113.47 1u57 n ILE 47 Ca 0.54 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1u57 n ILE 47 Cb 0.49 -4.49 0.00 0.00 -0.75 0.00 0.00 39.64 34.88 1u57 n ILE 47 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66