#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bde s GLY 51 N 0.00 2.90 0.09 2.72 0.00 -1.26 -4.51 107.32 107.25 1bde s GLY 51 Ca 0.00 1.22 -0.07 0.00 0.00 0.00 0.00 44.72 45.87 1bde s GLY 51 CO 0.00 1.92 0.58 1.22 0.00 0.00 0.00 173.10 176.82 1bde n ASP 52 N 1.13 -0.25 -0.08 1.64 9.92 -1.26 0.97 116.55 128.61 1bde n ASP 52 Ca 0.01 0.66 -0.14 0.00 -0.53 0.00 0.00 54.79 54.79 1bde n ASP 52 Cb 0.42 -0.15 -0.05 0.00 -0.64 0.00 0.00 41.12 40.71 1bde n ASP 52 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1bde h THR 53 N 0.00 1.30 0.52 -3.53 1.35 -1.95 0.53 112.91 111.13 1bde h THR 53 Ca 0.13 -1.59 -0.03 0.00 -0.55 0.00 0.00 66.41 64.37 1bde h THR 53 Cb 0.22 1.67 0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1bde h THR 53 CO -0.37 0.51 -0.25 -0.50 -0.25 0.00 0.00 175.52 174.66 1bde h TRP 54 N 0.49 -0.65 -0.34 4.73 -0.00 0.26 0.42 115.95 120.86 1bde h TRP 54 Ca 0.03 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.87 1bde h TRP 54 Cb 0.99 0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 30.36 1bde h TRP 54 CO 0.08 -0.33 0.08 0.00 -0.00 0.00 0.00 178.44 178.27 1bde h ALA 55 N -0.62 0.45 -0.98 1.49 0.00 -0.50 0.47 119.26 119.57 1bde h ALA 55 Ca -0.07 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1bde h ALA 55 Cb 0.62 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1bde h ALA 55 CO 0.12 0.13 0.63 0.78 0.00 0.00 0.00 179.25 180.90 1bde h GLY 56 N 0.40 1.53 0.86 0.00 0.00 0.13 0.22 103.07 106.21 1bde h GLY 56 Ca 0.11 -0.43 -0.35 0.00 0.00 0.00 0.00 47.33 46.66 1bde h GLY 56 CO 0.00 0.23 -1.80 -2.08 0.00 0.00 0.00 176.54 172.89 1bde h VAL 57 N 1.03 0.87 0.00 4.60 2.07 0.10 -2.89 116.25 122.02 1bde h VAL 57 Ca 0.46 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 1bde h VAL 57 Cb 0.37 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1bde h VAL 57 CO -0.21 0.86 -0.10 -0.33 0.02 0.00 0.00 177.57 177.81 1bde h GLU 58 N 0.09 0.00 0.00 1.57 5.08 0.20 0.32 114.58 121.85 1bde h GLU 58 Ca -0.36 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.82 1bde h GLU 58 Cb 2.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.30 1bde h GLU 58 CO 0.15 0.10 -0.87 0.00 -1.00 0.00 0.00 179.01 177.39 1bde h ALA 59 N 1.90 0.56 0.10 3.43 0.00 -0.62 -2.52 119.26 122.10 1bde h ALA 59 Ca -0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 54.91 53.82 1bde h ALA 59 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bde h ALA 59 CO 0.01 1.06 -1.64 -0.84 0.00 0.00 0.00 179.25 177.84 1bde h ILE 60 N 0.01 1.01 0.00 0.00 3.07 -0.89 -3.18 117.51 117.53 1bde h ILE 60 Ca -0.01 -2.70 -0.01 0.00 1.55 0.00 0.00 64.86 63.68 1bde h ILE 60 Cb 1.53 2.66 -0.00 0.00 -0.27 0.00 0.00 36.82 40.74 1bde h ILE 60 CO 0.12 0.78 -0.03 0.40 -1.05 0.00 0.00 178.15 178.36 1bde h ILE 61 N 0.06 0.55 0.59 0.16 5.03 -0.49 -2.52 117.51 120.88 1bde h ILE 61 Ca -0.28 -0.15 -0.03 0.00 -0.12 0.00 0.00 64.86 64.28 1bde h ILE 61 Cb 2.01 1.09 0.01 0.00 -3.03 0.00 0.00 36.82 36.91 1bde h ILE 61 CO 0.13 0.03 -0.28 -0.09 -0.68 0.00 0.00 178.15 177.26 1bde h ARG 62 N 0.00 -0.77 -0.03 2.37 2.43 -1.43 -0.24 114.38 116.72 1bde h ARG 62 Ca -0.00 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1bde h ARG 62 Cb 0.09 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1bde h ARG 62 CO 0.00 -0.47 -0.47 -0.84 -1.51 0.00 0.00 179.97 176.68 1bde h ILE 63 N -0.92 1.34 -0.26 1.20 -0.00 -1.61 0.45 117.51 117.71 1bde h ILE 63 Ca -0.08 -1.64 -0.11 0.00 -0.00 0.00 0.00 64.86 63.03 1bde h ILE 63 Cb 0.65 1.85 -0.01 0.00 -0.00 0.00 0.00 36.82 39.31 1bde h ILE 63 CO 0.13 0.47 -0.28 0.25 -0.00 0.00 0.00 178.15 178.72 1bde h LEU 64 N 0.05 0.54 0.01 0.16 5.85 -1.38 0.19 115.31 120.73 1bde h LEU 64 Ca 0.00 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1bde h LEU 64 Cb 0.86 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.75 1bde h LEU 64 CO 0.06 0.80 -0.24 1.56 -0.34 0.00 0.00 178.44 180.28 1bde h GLN 65 N 0.46 0.14 -0.94 1.25 7.50 -0.68 -0.60 115.11 122.24 1bde h GLN 65 Ca 0.06 -0.17 0.17 0.00 0.50 0.00 0.00 58.65 59.21 1bde h GLN 65 Cb 0.73 0.05 -0.10 0.00 0.05 0.00 0.00 27.48 28.21 1bde h GLN 65 CO 0.06 0.95 0.54 1.96 -1.50 0.00 0.00 178.83 180.84 1bde h GLN 66 N -0.59 0.69 0.02 1.46 4.20 -0.62 0.34 115.11 120.61 1bde h GLN 66 Ca -0.03 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.40 1bde h GLN 66 Cb 1.05 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.68 1bde h GLN 66 CO 0.05 0.46 -0.99 -0.07 -0.67 0.00 0.00 178.83 177.60 1bde h LEU 67 N 0.71 0.59 -2.23 1.46 3.38 -0.64 -0.78 115.31 117.80 1bde h LEU 67 Ca 0.53 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bde h LEU 67 Cb 0.79 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1bde h LEU 67 CO -0.38 1.29 -0.02 -0.07 0.09 0.00 0.00 178.44 179.36 1bde h LEU 68 N 0.24 0.00 -0.02 1.67 4.07 0.74 0.58 115.31 122.59 1bde h LEU 68 Ca -0.09 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1bde h LEU 68 Cb 1.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.38 1bde h LEU 68 CO 0.17 0.02 -0.12 -0.26 -1.08 0.00 0.00 178.44 177.17 1bde h PHE 69 N 0.00 0.16 -0.93 1.13 0.04 0.14 -3.21 116.94 114.27 1bde h PHE 69 Ca -0.00 -0.07 0.27 0.00 2.80 0.00 0.00 57.97 60.97 1bde h PHE 69 Cb 0.04 -0.02 -0.15 0.00 2.20 0.00 0.00 35.95 38.01 1bde h PHE 69 CO 0.00 0.77 0.31 0.82 -0.60 0.00 0.00 178.31 179.61 1bde h ILE 70 N -0.50 0.26 -0.61 -0.55 5.03 0.57 0.17 117.51 121.89 1bde h ILE 70 Ca -0.01 -0.07 0.13 0.00 -0.12 0.00 0.00 64.86 64.79 1bde h ILE 70 Cb 0.79 0.04 -0.11 0.00 -3.03 0.00 0.00 36.82 34.51 1bde h ILE 70 CO 0.02 0.04 -0.02 -0.74 -0.68 0.00 0.00 178.15 176.77 1bde h HIS 71 N 0.20 -0.08 0.00 1.37 -0.00 -1.42 0.44 115.15 115.66 1bde h HIS 71 Ca 0.62 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 61.03 1bde h HIS 71 Cb 1.33 0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 28.87 1bde h HIS 71 CO -0.21 -0.18 -0.00 0.35 -0.00 0.00 0.00 177.93 177.89 1bde h PHE 72 N 0.10 0.00 0.11 5.26 3.57 -0.76 0.11 116.94 125.33 1bde h PHE 72 Ca 0.32 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.53 1bde h PHE 72 Cb 0.51 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1bde h PHE 72 CO -0.38 0.00 -1.50 0.00 -2.23 0.00 0.00 178.31 174.20 1bde h ARG 73 N 0.00 0.24 -0.61 1.11 3.08 -0.27 -2.49 114.38 115.44 1bde h ARG 73 Ca -0.00 -0.42 0.05 0.00 0.07 0.00 0.00 59.98 59.68 1bde h ARG 73 Cb 0.11 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1bde h ARG 73 CO 0.00 1.20 0.41 0.82 -1.07 0.00 0.00 179.97 181.32 1bde h ILE 74 N -0.27 1.04 0.20 2.04 2.04 0.96 0.39 117.51 123.91 1bde h ILE 74 Ca -0.32 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1bde h ILE 74 Cb 1.79 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1bde h ILE 74 CO 0.06 0.12 -0.10 1.23 0.00 0.00 0.00 178.15 179.46 1bde h GLY 75 N 0.65 -0.29 -0.14 5.37 0.00 -0.90 -3.02 103.07 104.74 1bde h GLY 75 Ca 0.26 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.71 1bde h GLY 75 CO -0.07 -0.10 -0.27 0.00 0.00 0.00 0.00 176.54 176.09 1bde h ARG 77 N -0.23 0.00 -0.02 0.00 -0.00 -0.41 0.15 114.38 113.87 1bde h ARG 77 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1bde h ARG 77 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.28 1bde h ARG 77 CO -0.26 0.00 -0.18 0.72 0.00 0.00 0.00 179.97 180.26 1bde n HIS 78 N -4.13 0.00 -0.39 3.04 8.25 -0.25 -4.40 115.22 117.34 1bde n HIS 78 Ca 0.19 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.69 1bde n HIS 78 Cb 1.03 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.21 1bde n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bde n SER 79 N 0.51 2.32 -3.82 0.41 2.88 0.37 -4.87 113.62 111.42 1bde n SER 79 Ca 0.09 -2.38 -0.29 0.00 -1.33 0.00 0.00 58.87 54.97 1bde n SER 79 Cb 0.42 -0.18 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 1bde n SER 79 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1bde n ARG 80 N -0.66 2.11 -1.08 -1.46 3.00 -0.63 -4.86 116.66 113.07 1bde n ARG 80 Ca 0.07 -4.54 -0.06 0.00 -0.00 0.00 0.00 57.85 53.33 1bde n ARG 80 Cb 0.42 -2.30 0.15 0.00 0.00 0.00 0.00 32.46 30.73 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 1.74 2.41 -0.79 5.15 5.41 -1.26 -5.02 119.36 127.00 1bde n ILE 81 Ca 0.22 -3.45 0.00 0.00 1.00 0.00 0.00 62.75 60.52 1bde n ILE 81 Cb 0.36 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16