#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 2.67 0.00 2.72 0.00 -1.26 -4.17 105.19 105.15 1bde n GLY 51 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1bde n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bde n ASP 52 N 2.44 0.00 -0.40 1.61 5.68 -1.26 -4.71 116.55 119.91 1bde n ASP 52 Ca 0.33 0.00 0.35 0.00 -0.50 0.00 0.00 54.79 54.96 1bde n ASP 52 Cb 0.75 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.40 1bde n ASP 52 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1bde h THR 53 N 0.00 0.32 0.23 2.12 2.02 -1.98 0.68 112.91 116.29 1bde h THR 53 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1bde h THR 53 Cb 0.00 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1bde h THR 53 CO 0.00 0.02 -0.11 -0.25 0.37 0.00 0.00 175.52 175.55 1bde h TRP 54 N 0.13 -0.28 -0.29 3.16 7.01 -1.91 0.26 115.95 124.02 1bde h TRP 54 Ca 0.68 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.68 1bde h TRP 54 Cb 2.33 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 29.47 1bde h TRP 54 CO -0.00 -0.06 0.17 0.00 -2.79 0.00 0.00 178.44 175.76 1bde h ALA 55 N 0.28 0.37 -0.83 2.65 0.00 -1.15 0.21 119.26 120.78 1bde h ALA 55 Ca -0.03 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1bde h ALA 55 Cb 0.35 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1bde h ALA 55 CO 0.05 -0.14 0.52 0.78 0.00 0.00 0.00 179.25 180.47 1bde h GLY 56 N 0.37 1.24 2.00 0.00 0.00 -0.82 -2.36 103.07 103.49 1bde h GLY 56 Ca 0.10 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 1bde h GLY 56 CO -0.02 0.28 -0.90 -2.08 0.00 0.00 0.00 176.54 173.82 1bde h VAL 57 N 0.97 1.55 -0.21 4.60 2.07 -0.05 -2.89 116.25 122.29 1bde h VAL 57 Ca 0.35 -3.17 -0.07 0.00 0.82 0.00 0.00 66.70 64.63 1bde h VAL 57 Cb 0.12 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1bde h VAL 57 CO -0.15 0.88 -0.19 -0.08 0.02 0.00 0.00 177.57 178.05 1bde h GLU 58 N 0.00 0.37 -0.68 1.57 4.81 -0.28 0.32 114.58 120.69 1bde h GLU 58 Ca -0.01 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1bde h GLU 58 Cb 1.68 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.00 1bde h GLU 58 CO 0.12 0.55 0.11 0.00 -0.73 0.00 0.00 179.01 179.05 1bde h ALA 59 N 1.47 0.90 0.00 2.92 0.00 -1.38 -0.37 119.26 122.80 1bde h ALA 59 Ca 0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1bde h ALA 59 Cb 0.53 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1bde h ALA 59 CO 0.03 0.67 -1.15 -0.84 0.00 0.00 0.00 179.25 177.97 1bde h ILE 60 N 1.05 1.50 -0.07 0.00 3.07 -1.20 -3.04 117.51 118.82 1bde h ILE 60 Ca 0.20 -3.23 -0.02 0.00 1.55 0.00 0.00 64.86 63.37 1bde h ILE 60 Cb 0.45 2.74 -0.01 0.00 -0.27 0.00 0.00 36.82 39.73 1bde h ILE 60 CO 0.01 0.85 -0.04 0.40 -1.05 0.00 0.00 178.15 178.32 1bde h ILE 61 N 0.00 1.08 0.47 0.16 2.04 -0.04 -1.80 117.51 119.41 1bde h ILE 61 Ca -0.07 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1bde h ILE 61 Cb 1.81 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1bde h ILE 61 CO 0.12 0.10 -0.22 0.03 0.00 0.00 0.00 178.15 178.17 1bde h ARG 62 N 0.09 -0.60 0.00 2.37 3.08 -0.94 -1.18 114.38 117.20 1bde h ARG 62 Ca 0.02 0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1bde h ARG 62 Cb 0.14 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1bde h ARG 62 CO 0.01 -0.31 -0.40 -0.84 -1.07 0.00 0.00 179.97 177.35 1bde h ILE 63 N -0.84 1.12 -0.08 2.04 -0.00 -1.60 0.11 117.51 118.26 1bde h ILE 63 Ca -0.06 -1.47 -0.15 0.00 -0.00 0.00 0.00 64.86 63.18 1bde h ILE 63 Cb 0.57 1.83 -0.01 0.00 -0.00 0.00 0.00 36.82 39.21 1bde h ILE 63 CO 0.11 0.40 -0.60 0.25 -0.00 0.00 0.00 178.15 178.30 1bde h LEU 64 N 0.00 0.32 0.13 0.16 5.85 -1.29 -1.52 115.31 118.96 1bde h LEU 64 Ca -0.00 -0.18 -0.20 0.00 0.84 0.00 0.00 57.88 58.33 1bde h LEU 64 Cb 0.80 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 41.75 1bde h LEU 64 CO 0.05 0.85 -0.86 1.56 -0.34 0.00 0.00 178.44 179.70 1bde h GLN 65 N 0.21 0.34 -0.88 1.25 7.50 -0.78 -0.42 115.11 122.35 1bde h GLN 65 Ca -0.01 -0.55 0.14 0.00 0.50 0.00 0.00 58.65 58.73 1bde h GLN 65 Cb 1.11 0.20 -0.07 0.00 0.05 0.00 0.00 27.48 28.77 1bde h GLN 65 CO 0.10 1.25 0.57 -0.56 -1.50 0.00 0.00 178.83 178.68 1bde h GLN 66 N -0.27 0.68 0.20 1.46 3.07 -0.70 0.58 115.11 120.12 1bde h GLN 66 Ca -0.15 -0.04 -0.33 0.00 0.09 0.00 0.00 58.65 58.22 1bde h GLN 66 Cb 1.66 -0.15 0.02 0.00 0.08 0.00 0.00 27.48 29.08 1bde h GLN 66 CO 0.16 0.45 -1.58 -0.07 0.09 0.00 0.00 178.83 177.88 1bde h LEU 67 N 0.70 0.66 -1.14 0.06 3.38 -1.31 -3.05 115.31 114.61 1bde h LEU 67 Ca 0.43 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1bde h LEU 67 Cb 0.68 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1bde h LEU 67 CO -0.19 1.67 0.00 0.25 0.09 0.00 0.00 178.44 180.26 1bde h LEU 68 N 0.11 0.00 -1.11 1.67 5.85 0.17 -0.16 115.31 121.84 1bde h LEU 68 Ca -0.28 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1bde h LEU 68 Cb 2.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.13 1bde h LEU 68 CO 0.22 0.00 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.65 1bde h PHE 69 N 0.00 0.00 -0.85 1.25 0.04 0.23 -2.86 116.94 114.74 1bde h PHE 69 Ca 0.00 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 1bde h PHE 69 Cb 0.24 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.30 1bde h PHE 69 CO 0.00 0.41 0.47 0.82 -0.60 0.00 0.00 178.31 179.40 1bde h ILE 70 N 0.00 0.81 -0.74 -0.55 2.04 -1.12 0.20 117.51 118.15 1bde h ILE 70 Ca -0.00 -0.24 0.18 0.00 1.00 0.00 0.00 64.86 65.79 1bde h ILE 70 Cb 0.80 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1bde h ILE 70 CO 0.05 0.13 0.51 -0.74 0.00 0.00 0.00 178.15 178.10 1bde h HIS 71 N 0.71 0.27 0.00 1.37 -0.00 -1.65 0.91 115.15 116.77 1bde h HIS 71 Ca 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.82 1bde h HIS 71 Cb 0.54 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.87 1bde h HIS 71 CO -0.07 0.09 -0.28 0.35 -0.00 0.00 0.00 177.93 178.01 1bde h PHE 72 N 0.22 0.00 0.00 5.26 3.04 -0.75 0.26 116.94 124.97 1bde h PHE 72 Ca 0.36 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.31 1bde h PHE 72 Cb 1.11 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1bde h PHE 72 CO -0.00 0.00 -1.39 0.54 -2.02 0.00 0.00 178.31 175.44 1bde n ARG 73 N -2.70 0.45 -0.09 1.11 1.74 0.14 -3.40 116.66 113.91 1bde n ARG 73 Ca 0.03 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 1bde n ARG 73 Cb 0.50 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 1bde n ARG 73 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1bde n ILE 74 N -2.14 1.48 0.31 0.55 5.41 0.27 -3.67 119.36 121.57 1bde n ILE 74 Ca -0.00 0.06 -0.13 0.00 1.00 0.00 0.00 62.75 63.68 1bde n ILE 74 Cb 0.49 -2.23 -0.06 0.00 -0.71 0.00 0.00 39.64 37.13 1bde n ILE 74 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1bde h GLY 75 N -1.00 -0.94 0.10 7.39 0.00 -0.67 0.22 103.07 108.18 1bde h GLY 75 Ca -0.18 0.37 0.14 0.00 0.00 0.00 0.00 47.33 47.66 1bde h GLY 75 CO -0.11 -0.33 0.25 0.00 0.00 0.00 0.00 176.54 176.35 1bde h ARG 77 N 0.38 0.65 0.00 0.00 2.43 -1.60 -0.18 114.38 116.06 1bde h ARG 77 Ca 0.40 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1bde h ARG 77 Cb 0.63 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1bde h ARG 77 CO -0.43 0.60 -0.22 1.12 -1.51 0.00 0.00 179.97 179.53 1bde h HIS 78 N 0.64 0.00 -1.08 2.20 2.07 0.29 -3.43 115.15 115.84 1bde h HIS 78 Ca 0.15 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.68 1bde h HIS 78 Cb 0.24 0.00 -0.22 0.00 2.57 0.00 0.00 27.41 30.00 1bde h HIS 78 CO 0.01 0.00 -0.39 -1.54 -3.07 0.00 0.00 177.93 172.94 1bde s SER 79 N -4.61 -1.38 0.00 3.10 1.04 0.26 -5.01 113.70 107.09 1bde s SER 79 Ca 0.09 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.73 1bde s SER 79 Cb 0.12 1.94 0.09 0.00 0.10 0.00 0.00 66.02 68.28 1bde s SER 79 CO 0.65 -0.30 0.37 0.54 0.98 0.00 0.00 173.24 175.47 1bde n ARG 80 N 5.41 0.21 -4.00 4.02 3.00 -0.73 -4.14 116.66 120.45 1bde n ARG 80 Ca 0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 57.85 57.62 1bde n ARG 80 Cb 0.53 -1.12 -0.03 0.00 0.00 0.00 0.00 32.46 31.85 1bde n ARG 80 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1bde n ILE 81 N -0.62 -2.79 1.21 0.55 5.41 -1.26 -5.10 119.36 116.76 1bde n ILE 81 Ca 0.01 -0.47 0.10 0.00 1.00 0.00 0.00 62.75 63.39 1bde n ILE 81 Cb 0.01 -2.47 0.57 0.00 -0.71 0.00 0.00 39.64 37.04 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16