#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 0.90 0.35 2.72 0.00 -1.26 -4.85 105.19 103.05 1bde n GLY 51 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.03 -0.21 -0.11 1.61 2.03 -1.26 0.37 116.55 117.95 1bde n ASP 52 Ca -0.09 1.69 0.01 0.00 0.52 0.00 0.00 54.79 56.92 1bde n ASP 52 Cb 0.55 -0.58 0.30 0.00 -0.72 0.00 0.00 41.12 40.67 1bde n ASP 52 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1bde h THR 53 N 0.00 1.17 0.00 5.18 2.02 -1.96 0.83 112.91 120.16 1bde h THR 53 Ca 0.55 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1bde h THR 53 Cb 1.04 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1bde h THR 53 CO -0.97 0.19 -0.31 -0.50 0.37 0.00 0.00 175.52 174.30 1bde h TRP 54 N 0.77 0.00 0.11 3.16 4.06 -0.47 -2.80 115.95 120.78 1bde h TRP 54 Ca 0.20 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 1bde h TRP 54 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1bde h TRP 54 CO 0.00 0.61 -0.05 0.00 -3.56 0.00 0.00 178.44 175.44 1bde h ALA 55 N -0.57 -0.15 -0.95 1.49 0.00 -0.81 0.44 119.26 118.72 1bde h ALA 55 Ca -0.06 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1bde h ALA 55 Cb 0.66 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1bde h ALA 55 CO -0.04 -0.57 0.61 0.78 0.00 0.00 0.00 179.25 180.03 1bde h GLY 56 N -0.17 1.44 1.15 0.00 0.00 0.54 0.30 103.07 106.34 1bde h GLY 56 Ca -0.01 -0.41 -0.31 0.00 0.00 0.00 0.00 47.33 46.59 1bde h GLY 56 CO 0.02 0.22 -1.60 -2.08 0.00 0.00 0.00 176.54 173.11 1bde h VAL 57 N 0.98 1.08 -0.11 4.60 2.07 -1.20 -2.61 116.25 121.06 1bde h VAL 57 Ca 0.44 -2.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.18 1bde h VAL 57 Cb 0.38 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1bde h VAL 57 CO -0.20 0.81 -0.17 -0.33 0.02 0.00 0.00 177.57 177.70 1bde h GLU 58 N 0.07 0.18 -0.22 1.57 4.39 0.24 0.40 114.58 121.22 1bde h GLU 58 Ca -0.27 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.22 1bde h GLU 58 Cb 2.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 1bde h GLU 58 CO 0.16 0.36 -0.52 0.00 -1.16 0.00 0.00 179.01 177.84 1bde h ALA 59 N 1.66 0.66 0.03 3.43 0.00 -0.43 0.41 119.26 125.02 1bde h ALA 59 Ca 0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 54.20 1bde h ALA 59 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1bde h ALA 59 CO 0.03 0.68 -1.25 -0.84 0.00 0.00 0.00 179.25 177.87 1bde h ILE 60 N 0.49 1.44 -0.04 0.00 3.07 -0.95 -3.23 117.51 118.30 1bde h ILE 60 Ca 0.02 -3.15 -0.16 0.00 1.55 0.00 0.00 64.86 63.11 1bde h ILE 60 Cb 1.08 2.76 -0.01 0.00 -0.27 0.00 0.00 36.82 40.37 1bde h ILE 60 CO 0.10 0.84 -0.70 0.40 -1.05 0.00 0.00 178.15 177.75 1bde h ILE 61 N 0.02 1.44 0.34 0.16 2.04 -0.14 -2.60 117.51 118.76 1bde h ILE 61 Ca -0.11 -2.23 -0.00 0.00 1.00 0.00 0.00 64.86 63.52 1bde h ILE 61 Cb 1.87 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 40.10 1bde h ILE 61 CO 0.13 0.65 -0.50 0.03 0.00 0.00 0.00 178.15 178.46 1bde h ARG 62 N 0.13 -0.85 0.00 2.37 2.47 -0.20 -0.51 114.38 117.78 1bde h ARG 62 Ca -0.02 0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.63 1bde h ARG 62 Cb 1.24 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 29.74 1bde h ARG 62 CO 0.10 -0.57 -0.63 -0.84 0.56 0.00 0.00 179.97 178.59 1bde h ILE 63 N -0.89 1.20 0.00 2.04 -0.00 -1.66 0.12 117.51 118.32 1bde h ILE 63 Ca -0.03 -2.38 -0.09 0.00 -0.00 0.00 0.00 64.86 62.35 1bde h ILE 63 Cb 0.82 2.38 -0.01 0.00 -0.00 0.00 0.00 36.82 40.01 1bde h ILE 63 CO -0.16 0.62 -0.45 0.25 -0.00 0.00 0.00 178.15 178.41 1bde h LEU 64 N 0.00 0.00 0.00 0.16 5.85 -1.30 0.28 115.31 120.30 1bde h LEU 64 Ca -0.01 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1bde h LEU 64 Cb 1.33 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1bde h LEU 64 CO 0.08 0.45 -1.01 0.00 -0.34 0.00 0.00 178.44 177.62 1bde n GLN 65 N -3.69 0.52 -0.18 1.25 3.00 -0.21 -2.69 117.38 115.38 1bde n GLN 65 Ca -0.01 0.55 0.07 0.00 -0.01 0.00 0.00 57.00 57.61 1bde n GLN 65 Cb 0.53 -1.72 0.37 0.00 0.00 0.00 0.00 30.24 29.41 1bde n GLN 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1bde h GLN 66 N -1.00 0.69 0.02 -1.09 4.20 -0.79 0.26 115.11 117.40 1bde h GLN 66 Ca -0.23 -0.04 -0.25 0.00 0.06 0.00 0.00 58.65 58.19 1bde h GLN 66 Cb 1.01 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1bde h GLN 66 CO -0.14 0.46 -1.28 -0.07 -0.67 0.00 0.00 178.83 177.14 1bde h LEU 67 N 0.71 0.07 -1.76 1.46 3.38 -0.61 -3.03 115.31 115.54 1bde h LEU 67 Ca 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1bde h LEU 67 Cb 0.32 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1bde h LEU 67 CO -0.11 1.07 -0.07 0.25 0.09 0.00 0.00 178.44 179.68 1bde h LEU 68 N 0.01 0.00 -0.12 1.67 5.85 -1.12 -1.59 115.31 120.01 1bde h LEU 68 Ca -0.12 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1bde h LEU 68 Cb 1.88 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.91 1bde h LEU 68 CO 0.12 0.07 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.88 1bde h PHE 69 N 0.00 0.38 -0.90 1.25 0.04 -0.86 -3.15 116.94 113.71 1bde h PHE 69 Ca -0.00 -0.12 0.20 0.00 2.80 0.00 0.00 57.97 60.85 1bde h PHE 69 Cb 0.43 -0.08 -0.11 0.00 2.20 0.00 0.00 35.95 38.39 1bde h PHE 69 CO 0.00 0.74 0.44 0.82 -0.60 0.00 0.00 178.31 179.71 1bde h ILE 70 N -0.09 0.57 -0.99 -0.55 1.08 -1.25 0.18 117.51 116.46 1bde h ILE 70 Ca 0.02 -0.17 0.20 0.00 -0.39 0.00 0.00 64.86 64.51 1bde h ILE 70 Cb 0.69 0.02 -0.11 0.00 -3.07 0.00 0.00 36.82 34.34 1bde h ILE 70 CO 0.03 0.09 0.59 -0.74 -0.69 0.00 0.00 178.15 177.44 1bde h HIS 71 N 0.51 1.03 0.00 1.37 -0.00 -1.48 0.43 115.15 117.00 1bde h HIS 71 Ca 0.54 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.89 1bde h HIS 71 Cb 0.95 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.05 1bde h HIS 71 CO -0.10 0.20 -0.27 0.35 -0.00 0.00 0.00 177.93 178.10 1bde h PHE 72 N 0.71 0.00 0.11 5.26 3.57 -0.75 0.15 116.94 125.99 1bde h PHE 72 Ca 0.58 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.91 1bde h PHE 72 Cb 0.94 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.70 1bde h PHE 72 CO -0.02 0.27 -0.73 0.00 -2.23 0.00 0.00 178.31 175.60 1bde h ARG 73 N 0.00 0.31 0.15 1.11 3.08 -0.35 -1.05 114.38 117.62 1bde h ARG 73 Ca -0.00 -0.47 0.01 0.00 0.07 0.00 0.00 59.98 59.58 1bde h ARG 73 Cb 0.55 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1bde h ARG 73 CO 0.04 1.20 -0.19 0.82 -1.07 0.00 0.00 179.97 180.77 1bde h ILE 74 N -0.35 0.58 0.59 2.04 2.04 0.06 0.42 117.51 122.91 1bde h ILE 74 Ca -0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1bde h ILE 74 Cb 1.54 0.58 0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1bde h ILE 74 CO 0.14 0.00 -0.29 1.23 0.00 0.00 0.00 178.15 179.23 1bde h GLY 75 N -0.39 -0.83 1.42 5.37 0.00 -0.77 0.41 103.07 108.28 1bde h GLY 75 Ca 0.01 0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1bde h GLY 75 CO -0.07 -0.30 0.38 0.00 0.00 0.00 0.00 176.54 176.55 1bde h ARG 77 N 0.78 0.00 -0.78 0.00 2.43 -0.07 -3.38 114.38 113.35 1bde h ARG 77 Ca 0.21 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.63 1bde h ARG 77 Cb -0.08 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.33 1bde h ARG 77 CO -0.05 0.72 0.13 0.72 -1.51 0.00 0.00 179.97 179.99 1bde n HIS 78 N -3.20 0.62 -3.94 2.20 8.25 0.14 -4.81 115.22 114.48 1bde n HIS 78 Ca -0.06 0.94 -0.29 0.00 -0.26 0.00 0.00 57.72 58.04 1bde n HIS 78 Cb 0.94 -1.16 0.01 0.00 1.12 0.00 0.00 29.99 30.91 1bde n HIS 78 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1bde n SER 79 N -5.01 -3.58 -3.42 0.41 7.64 -1.26 -3.63 113.62 104.78 1bde n SER 79 Ca 0.22 -0.85 -0.18 0.00 1.01 0.00 0.00 58.87 59.07 1bde n SER 79 Cb 0.72 -3.64 0.03 0.00 -1.01 0.00 0.00 64.21 60.31 1bde n SER 79 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1bde n ARG 80 N -4.55 -1.52 -3.07 1.43 3.00 -1.26 -4.99 116.66 105.70 1bde n ARG 80 Ca -0.04 0.89 -0.39 0.00 -0.01 0.00 0.00 57.85 58.30 1bde n ARG 80 Cb 0.56 -4.75 -0.05 0.00 0.00 0.00 0.00 32.46 28.22 1bde n ARG 80 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1bde s ILE 81 N -3.25 4.76 0.00 0.55 1.01 -1.24 -5.30 121.20 117.73 1bde s ILE 81 Ca 0.27 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1bde s ILE 81 Cb -0.07 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1bde s ILE 81 CO 0.81 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.76