#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bde n GLY 51 N 0.00 2.66 5.00 2.98 0.00 -1.26 -4.82 105.19 109.75 1bde n GLY 51 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1bde n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bde n ASP 52 N 9.53 0.00 0.25 1.61 2.03 -1.26 -4.04 116.55 124.67 1bde n ASP 52 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1bde n ASP 52 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1bde n ASP 52 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bde h THR 53 N 0.00 0.00 0.00 5.18 1.35 -1.97 -1.78 112.91 115.70 1bde h THR 53 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1bde h THR 53 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1bde h THR 53 CO 0.00 0.00 0.00 1.87 -0.25 0.00 0.00 175.52 177.14 1bde n TRP 54 N -5.24 0.00 -0.36 4.73 -0.00 -1.26 0.67 117.44 115.98 1bde n TRP 54 Ca -0.09 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.52 1bde n TRP 54 Cb 0.28 -0.40 0.29 0.00 -0.00 0.00 0.00 31.31 31.47 1bde n TRP 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1bde h ALA 55 N -1.35 1.60 -0.76 5.87 0.00 -1.88 0.52 119.26 123.25 1bde h ALA 55 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1bde h ALA 55 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1bde h ALA 55 CO 0.00 0.06 0.50 0.78 0.00 0.00 0.00 179.25 180.59 1bde h GLY 56 N 0.85 0.99 1.29 0.00 0.00 0.10 0.52 103.07 106.82 1bde h GLY 56 Ca 0.55 -0.30 -0.31 0.00 0.00 0.00 0.00 47.33 47.27 1bde h GLY 56 CO -0.34 0.19 -1.31 -2.08 0.00 0.00 0.00 176.54 173.00 1bde h VAL 57 N 0.72 1.30 0.00 4.60 2.07 0.52 -1.92 116.25 123.54 1bde h VAL 57 Ca 0.35 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.26 1bde h VAL 57 Cb 0.39 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1bde h VAL 57 CO -0.13 0.78 -0.10 -0.33 0.02 0.00 0.00 177.57 177.82 1bde h GLU 58 N 0.22 0.00 -0.06 1.57 3.07 -0.34 0.47 114.58 119.51 1bde h GLU 58 Ca -0.20 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.44 1bde h GLU 58 Cb 1.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.91 1bde h GLU 58 CO 0.25 0.10 -0.85 0.00 -1.40 0.00 0.00 179.01 177.11 1bde h ALA 59 N 1.90 0.40 0.00 3.43 0.00 -0.83 -0.01 119.26 124.15 1bde h ALA 59 Ca -0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 1bde h ALA 59 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1bde h ALA 59 CO 0.01 0.75 -1.12 -0.84 0.00 0.00 0.00 179.25 178.05 1bde h ILE 60 N 0.34 1.29 -0.04 0.00 3.07 -0.38 -3.19 117.51 118.61 1bde h ILE 60 Ca -0.06 -2.97 -0.13 0.00 1.55 0.00 0.00 64.86 63.25 1bde h ILE 60 Cb 1.46 2.62 -0.01 0.00 -0.27 0.00 0.00 36.82 40.62 1bde h ILE 60 CO 0.16 0.74 -0.58 0.40 -1.05 0.00 0.00 178.15 177.82 1bde h ILE 61 N 0.00 1.40 0.01 0.16 2.04 -0.11 -2.62 117.51 118.39 1bde h ILE 61 Ca -0.09 -1.95 0.02 0.00 1.00 0.00 0.00 64.86 63.84 1bde h ILE 61 Cb 1.75 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 39.80 1bde h ILE 61 CO 0.10 0.57 -0.42 -0.09 0.00 0.00 0.00 178.15 178.31 1bde h ARG 62 N 0.09 -0.52 0.00 2.37 9.65 -0.97 0.62 114.38 125.62 1bde h ARG 62 Ca -0.00 0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.78 1bde h ARG 62 Cb 1.04 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 1bde h ARG 62 CO 0.08 -0.35 -0.62 -0.84 2.80 0.00 0.00 179.97 181.05 1bde h ILE 63 N -0.54 1.23 -0.18 1.20 -0.00 -1.67 0.49 117.51 118.04 1bde h ILE 63 Ca 0.01 -2.30 -0.14 0.00 -0.00 0.00 0.00 64.86 62.43 1bde h ILE 63 Cb 0.57 2.32 -0.01 0.00 -0.00 0.00 0.00 36.82 39.70 1bde h ILE 63 CO -0.28 0.61 -0.48 0.25 -0.00 0.00 0.00 178.15 178.25 1bde h LEU 64 N 0.00 0.50 0.00 0.16 5.85 -1.22 0.88 115.31 121.49 1bde h LEU 64 Ca -0.01 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1bde h LEU 64 Cb 1.27 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1bde h LEU 64 CO 0.08 0.90 -0.28 1.56 -0.34 0.00 0.00 178.44 180.36 1bde h GLN 65 N 0.37 0.00 -0.94 1.25 7.50 -0.81 -2.08 115.11 120.40 1bde h GLN 65 Ca 0.02 0.00 0.19 0.00 0.50 0.00 0.00 58.65 59.36 1bde h GLN 65 Cb 0.98 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.43 1bde h GLN 65 CO 0.09 0.66 0.60 1.96 -1.50 0.00 0.00 178.83 180.64 1bde h GLN 66 N -1.00 0.57 0.20 1.46 4.20 -0.92 0.30 115.11 119.92 1bde h GLN 66 Ca -0.06 -0.03 -0.33 0.00 0.06 0.00 0.00 58.65 58.28 1bde h GLN 66 Cb 0.76 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 28.44 1bde h GLN 66 CO -0.04 0.38 -1.54 -0.07 -0.67 0.00 0.00 178.83 176.89 1bde h LEU 67 N 0.59 0.66 -2.25 1.46 3.38 -0.93 -3.07 115.31 115.15 1bde h LEU 67 Ca 0.50 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1bde h LEU 67 Cb 1.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1bde h LEU 67 CO -0.25 1.65 -0.05 0.25 0.09 0.00 0.00 178.44 180.13 1bde h LEU 68 N 0.11 0.00 -0.97 1.67 6.46 -0.49 0.46 115.31 122.56 1bde h LEU 68 Ca -0.27 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.41 1bde h LEU 68 Cb 2.10 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 42.02 1bde h LEU 68 CO 0.22 0.05 -0.15 -0.26 -0.62 0.00 0.00 178.44 177.68 1bde h PHE 69 N 0.00 0.62 -0.93 1.25 0.04 -0.36 -2.92 116.94 114.65 1bde h PHE 69 Ca -0.00 -0.11 0.13 0.00 2.80 0.00 0.00 57.97 60.79 1bde h PHE 69 Cb 0.18 -0.16 -0.08 0.00 2.20 0.00 0.00 35.95 38.10 1bde h PHE 69 CO 0.00 0.70 0.59 0.82 -0.60 0.00 0.00 178.31 179.82 1bde h ILE 70 N 0.52 0.87 0.00 -0.55 1.08 -0.92 0.14 117.51 118.65 1bde h ILE 70 Ca 0.09 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1bde h ILE 70 Cb 0.57 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1bde h ILE 70 CO 0.04 0.15 -0.01 1.12 -0.69 0.00 0.00 178.15 178.76 1bde h HIS 71 N 0.80 0.00 0.00 1.37 2.07 -1.60 0.41 115.15 118.21 1bde h HIS 71 Ca 0.46 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.94 1bde h HIS 71 Cb 0.63 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 1bde h HIS 71 CO -0.00 0.01 -0.19 0.35 -3.07 0.00 0.00 177.93 175.02 1bde h PHE 72 N 0.00 0.00 0.00 6.12 3.57 -0.85 0.16 116.94 125.94 1bde h PHE 72 Ca -0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1bde h PHE 72 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1bde h PHE 72 CO 0.00 0.19 -0.49 0.00 -2.23 0.00 0.00 178.31 175.78 1bde h ARG 73 N 0.00 0.00 -0.79 1.11 3.08 -0.48 -3.06 114.38 114.24 1bde h ARG 73 Ca -0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 1bde h ARG 73 Cb 0.84 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.83 1bde h ARG 73 CO 0.02 0.42 0.52 0.82 -1.07 0.00 0.00 179.97 180.68 1bde h ILE 74 N -1.00 0.85 0.12 2.04 5.03 -0.33 0.54 117.51 124.76 1bde h ILE 74 Ca -0.09 -0.20 -0.01 0.00 -0.12 0.00 0.00 64.86 64.45 1bde h ILE 74 Cb 0.67 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 34.69 1bde h ILE 74 CO -0.05 0.10 -0.06 1.23 -0.68 0.00 0.00 178.15 178.69 1bde h GLY 75 N 0.57 -0.17 -0.09 5.37 0.00 -0.81 -3.13 103.07 104.82 1bde h GLY 75 Ca 0.39 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.80 1bde h GLY 75 CO -0.15 -0.06 -0.53 0.00 0.00 0.00 0.00 176.54 175.80 1bde n ARG 77 N -5.36 0.01 0.34 0.00 3.00 0.19 -2.87 116.66 111.97 1bde n ARG 77 Ca -0.06 0.46 -0.16 0.00 -0.00 0.00 0.00 57.85 58.09 1bde n ARG 77 Cb 0.37 -1.53 -0.08 0.00 0.00 0.00 0.00 32.46 31.22 1bde n ARG 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1bde h HIS 78 N 0.00 -0.80 0.00 -0.14 2.76 -1.23 -3.45 115.15 112.28 1bde h HIS 78 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1bde h HIS 78 Cb 0.05 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.28 1bde h HIS 78 CO 0.00 -0.46 0.00 0.45 -1.30 0.00 0.00 177.93 176.62 1bde n SER 79 N -5.40 0.00 -1.84 3.26 2.88 -1.17 -4.98 113.62 106.37 1bde n SER 79 Ca -0.12 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.39 1bde n SER 79 Cb 0.37 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.82 1bde n SER 79 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1bde n ARG 80 N 0.00 -2.01 -2.74 -1.46 1.74 -1.14 -0.58 116.66 110.48 1bde n ARG 80 Ca 0.00 0.15 -0.20 0.00 -0.77 0.00 0.00 57.85 57.03 1bde n ARG 80 Cb 0.00 -4.46 0.01 0.00 -1.02 0.00 0.00 32.46 26.99 1bde n ARG 80 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1bde n ILE 81 N -2.01 -1.26 0.93 0.55 5.41 -1.26 -5.09 119.36 116.63 1bde n ILE 81 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.79 1bde n ILE 81 Cb 0.33 -2.77 0.44 0.00 -0.71 0.00 0.00 39.64 36.92 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16