#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 -0.26 0.19 2.72 0.00 -1.26 -4.40 105.19 102.18 1bde n GLY 51 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1bde n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bde n ASP 52 N -0.37 -0.48 -0.29 1.61 9.92 -1.26 0.44 116.55 126.13 1bde n ASP 52 Ca 0.00 0.82 0.05 0.00 -0.53 0.00 0.00 54.79 55.13 1bde n ASP 52 Cb 0.02 -0.11 0.27 0.00 -0.64 0.00 0.00 41.12 40.66 1bde n ASP 52 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1bde h THR 53 N 0.00 1.03 0.00 -3.53 2.02 -1.98 0.42 112.91 110.87 1bde h THR 53 Ca 0.07 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 1bde h THR 53 Cb 0.19 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1bde h THR 53 CO -0.43 0.18 -0.64 -0.50 0.37 0.00 0.00 175.52 174.50 1bde h TRP 54 N 0.96 0.00 -0.42 3.16 -0.00 -0.36 -3.10 115.95 116.19 1bde h TRP 54 Ca 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.27 1bde h TRP 54 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.40 1bde h TRP 54 CO -0.00 1.02 0.24 0.00 -0.00 0.00 0.00 178.44 179.69 1bde h ALA 55 N -0.44 0.54 -0.59 1.49 0.00 -0.50 0.53 119.26 120.30 1bde h ALA 55 Ca -0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1bde h ALA 55 Cb 0.99 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1bde h ALA 55 CO -0.10 0.06 0.31 0.78 0.00 0.00 0.00 179.25 180.30 1bde h GLY 56 N 0.55 0.89 1.71 0.00 0.00 -0.31 0.58 103.07 106.50 1bde h GLY 56 Ca 0.15 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 1bde h GLY 56 CO -0.03 0.40 -0.89 -2.08 0.00 0.00 0.00 176.54 173.95 1bde h VAL 57 N 0.80 1.46 -0.02 4.60 2.07 -1.40 -1.60 116.25 122.17 1bde h VAL 57 Ca 0.21 -2.54 -0.11 0.00 0.82 0.00 0.00 66.70 65.07 1bde h VAL 57 Cb 0.07 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1bde h VAL 57 CO -0.03 0.75 -0.50 -0.08 0.02 0.00 0.00 177.57 177.73 1bde h GLU 58 N 0.15 0.06 -0.14 1.57 4.22 0.29 0.17 114.58 120.90 1bde h GLU 58 Ca -0.05 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.20 1bde h GLU 58 Cb 1.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1bde h GLU 58 CO 0.14 0.54 -0.56 0.00 -2.18 0.00 0.00 179.01 176.95 1bde h ALA 59 N 1.45 0.77 0.14 2.92 0.00 -0.68 -1.18 119.26 122.67 1bde h ALA 59 Ca -0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 54.91 54.10 1bde h ALA 59 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1bde h ALA 59 CO 0.07 0.70 -1.40 -0.84 0.00 0.00 0.00 179.25 177.77 1bde h ILE 60 N 0.33 1.32 -0.63 0.00 3.07 -0.96 -3.15 117.51 117.49 1bde h ILE 60 Ca 0.00 -2.90 0.10 0.00 1.55 0.00 0.00 64.86 63.61 1bde h ILE 60 Cb 1.09 2.87 -0.08 0.00 -0.27 0.00 0.00 36.82 40.43 1bde h ILE 60 CO 0.10 0.85 0.22 0.40 -1.05 0.00 0.00 178.15 178.67 1bde h ILE 61 N 0.08 0.73 -0.93 0.16 1.08 -0.54 0.30 117.51 118.38 1bde h ILE 61 Ca -0.20 -0.13 0.21 0.00 -0.39 0.00 0.00 64.86 64.35 1bde h ILE 61 Cb 2.01 0.31 -0.11 0.00 -3.07 0.00 0.00 36.82 35.96 1bde h ILE 61 CO 0.19 0.07 0.50 0.03 -0.69 0.00 0.00 178.15 178.25 1bde h ARG 62 N 0.38 0.55 0.00 2.37 2.47 -1.17 0.37 114.38 119.35 1bde h ARG 62 Ca 0.32 -0.03 -0.18 0.00 -1.26 0.00 0.00 59.98 58.83 1bde h ARG 62 Cb 0.43 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 1bde h ARG 62 CO -0.34 0.36 -0.98 0.82 0.56 0.00 0.00 179.97 180.39 1bde h ILE 63 N 0.56 1.18 -0.04 2.04 1.08 -1.05 -2.18 117.51 119.11 1bde h ILE 63 Ca 0.57 -2.77 -0.15 0.00 -0.39 0.00 0.00 64.86 62.11 1bde h ILE 63 Cb 0.99 2.56 -0.01 0.00 -3.07 0.00 0.00 36.82 37.28 1bde h ILE 63 CO -0.45 0.67 -0.66 0.17 -0.69 0.00 0.00 178.15 177.19 1bde h LEU 64 N 0.00 0.20 -0.02 1.44 8.10 0.23 0.14 115.31 125.40 1bde h LEU 64 Ca -0.06 -0.13 -0.03 0.00 0.11 0.00 0.00 57.88 57.77 1bde h LEU 64 Cb 1.66 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.82 1bde h LEU 64 CO 0.09 0.80 -0.09 1.56 -4.11 0.00 0.00 178.44 176.70 1bde h GLN 65 N 0.12 0.10 0.04 0.17 4.20 -0.45 0.84 115.11 120.14 1bde h GLN 65 Ca -0.01 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.64 1bde h GLN 65 Cb 1.18 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 1bde h GLN 65 CO 0.10 0.74 -0.17 1.96 -0.67 0.00 0.00 178.83 180.78 1bde h GLN 66 N -0.52 -0.30 0.00 1.46 4.20 -1.27 -1.41 115.11 117.27 1bde h GLN 66 Ca -0.01 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1bde h GLN 66 Cb 0.75 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1bde h GLN 66 CO 0.02 -0.20 -0.29 -0.07 -0.67 0.00 0.00 178.83 177.62 1bde h LEU 67 N -0.31 0.00 -0.68 1.46 3.38 -0.78 0.12 115.31 118.50 1bde h LEU 67 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bde h LEU 67 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1bde h LEU 67 CO -0.13 0.29 0.00 0.25 0.09 0.00 0.00 178.44 178.94 1bde h LEU 68 N 0.00 0.00 0.01 1.67 5.85 0.01 0.97 115.31 123.81 1bde h LEU 68 Ca -0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1bde h LEU 68 Cb 0.63 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1bde h LEU 68 CO 0.04 0.00 -1.43 0.33 -0.34 0.00 0.00 178.44 177.04 1bde n PHE 69 N -2.34 0.95 -0.27 1.25 7.35 -0.15 -4.22 117.46 120.03 1bde n PHE 69 Ca 0.02 0.39 -0.01 0.00 -0.76 0.00 0.00 57.45 57.10 1bde n PHE 69 Cb 0.27 -1.10 0.12 0.00 0.35 0.00 0.00 39.48 39.12 1bde n PHE 69 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1bde h ILE 70 N -0.92 1.01 0.00 -2.13 2.04 -0.87 0.47 117.51 117.12 1bde h ILE 70 Ca -0.39 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1bde h ILE 70 Cb 1.39 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1bde h ILE 70 CO -0.21 0.15 0.15 1.12 0.00 0.00 0.00 178.15 179.36 1bde h HIS 71 N 0.83 0.00 0.00 1.37 2.07 -0.98 0.53 115.15 118.96 1bde h HIS 71 Ca 0.33 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.72 1bde h HIS 71 Cb 0.17 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.13 1bde h HIS 71 CO -0.05 0.00 -1.06 0.35 -3.07 0.00 0.00 177.93 174.10 1bde h PHE 72 N 0.00 0.00 0.00 6.12 3.57 -1.07 0.68 116.94 126.24 1bde h PHE 72 Ca 0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 1bde h PHE 72 Cb 0.30 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1bde h PHE 72 CO 0.00 0.53 -1.34 0.00 -2.23 0.00 0.00 178.31 175.28 1bde h ARG 73 N 0.00 0.00 0.00 1.11 3.08 -0.23 -1.30 114.38 117.04 1bde h ARG 73 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1bde h ARG 73 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 1bde h ARG 73 CO 0.05 0.61 -0.09 0.82 -1.07 0.00 0.00 179.97 180.30 1bde h ILE 74 N 0.00 0.45 0.00 2.04 2.04 -0.23 -3.26 117.51 118.55 1bde h ILE 74 Ca -0.16 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1bde h ILE 74 Cb 1.81 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1bde h ILE 74 CO 0.09 0.15 0.00 0.61 0.00 0.00 0.00 178.15 179.00 1bde n GLY 75 N 1.71 -3.04 0.22 5.37 0.00 0.24 0.93 105.19 110.62 1bde n GLY 75 Ca -0.04 0.49 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 1bde n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bde h ARG 77 N 0.12 0.00 -0.14 0.00 -0.00 -1.49 0.78 114.38 113.65 1bde h ARG 77 Ca 0.29 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.81 1bde h ARG 77 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.42 1bde h ARG 77 CO -0.48 0.25 0.26 1.25 0.00 0.00 0.00 179.97 181.25 1bde h HIS 78 N 0.00 0.00 0.00 3.04 2.76 0.26 0.36 115.15 121.57 1bde h HIS 78 Ca -0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1bde h HIS 78 Cb 0.47 0.00 -0.23 0.00 1.55 0.00 0.00 27.41 29.20 1bde h HIS 78 CO 0.00 0.00 -0.79 0.45 -1.30 0.00 0.00 177.93 176.29 1bde n SER 79 N -3.39 1.11 -3.55 3.26 2.88 -0.95 -5.00 113.62 107.98 1bde n SER 79 Ca 0.01 -2.50 -0.24 0.00 -1.33 0.00 0.00 58.87 54.80 1bde n SER 79 Cb 0.36 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.42 1bde n SER 79 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1bde n ARG 80 N -0.04 -0.88 -1.90 -1.46 1.85 0.12 -4.70 116.66 109.64 1bde n ARG 80 Ca 0.09 0.08 -0.23 0.00 -1.00 0.00 0.00 57.85 56.78 1bde n ARG 80 Cb 0.96 -2.71 -0.07 0.00 -1.05 0.00 0.00 32.46 29.58 1bde n ARG 80 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1bde s ILE 81 N -3.06 3.35 0.00 8.89 -1.09 0.17 -4.97 121.20 124.49 1bde s ILE 81 Ca 0.31 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 1bde s ILE 81 Cb -0.18 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1bde s ILE 81 CO 0.65 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 174.31