#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 -0.10 0.00 2.72 0.00 -1.26 -5.01 107.32 103.67 1bde s GLY 51 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1bde s GLY 51 CO 0.00 -0.05 0.00 2.09 0.00 0.00 0.00 173.10 175.14 1bde n ASP 52 N -0.52 0.00 -0.19 1.64 5.75 -1.26 -4.19 116.55 117.78 1bde n ASP 52 Ca -0.05 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.88 1bde n ASP 52 Cb 0.59 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.96 1bde n ASP 52 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1bde n THR 53 N 0.00 -0.24 0.10 2.12 -1.04 -1.26 -0.14 114.28 113.82 1bde n THR 53 Ca 0.00 1.21 -0.04 0.00 -2.04 0.00 0.00 64.05 63.18 1bde n THR 53 Cb 0.00 -1.89 -0.02 0.00 -1.82 0.00 0.00 70.33 66.60 1bde n THR 53 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1bde h TRP 54 N 0.00 -0.24 -0.56 -1.42 -0.00 -1.99 -0.51 115.95 111.22 1bde h TRP 54 Ca 0.44 -0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.43 1bde h TRP 54 Cb 1.09 0.08 -0.08 0.00 -0.00 0.00 0.00 29.16 30.25 1bde h TRP 54 CO -0.11 -0.15 0.09 0.00 -0.00 0.00 0.00 178.44 178.27 1bde h ALA 55 N -1.80 0.63 -0.91 2.65 0.00 -1.56 0.24 119.26 118.52 1bde h ALA 55 Ca -0.03 0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.22 1bde h ALA 55 Cb 0.20 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 1bde h ALA 55 CO 0.04 -0.33 0.45 0.78 0.00 0.00 0.00 179.25 180.20 1bde h GLY 56 N 0.22 1.57 1.37 0.00 0.00 -0.55 0.19 103.07 105.86 1bde h GLY 56 Ca 0.29 -0.22 -0.32 0.00 0.00 0.00 0.00 47.33 47.08 1bde h GLY 56 CO -0.40 -0.19 -1.41 -2.08 0.00 0.00 0.00 176.54 172.46 1bde h VAL 57 N 0.51 1.35 -0.11 4.60 2.07 0.10 -2.49 116.25 122.27 1bde h VAL 57 Ca 0.55 -2.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 1bde h VAL 57 Cb 0.97 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 1bde h VAL 57 CO -0.47 0.83 0.02 -0.08 0.02 0.00 0.00 177.57 177.90 1bde h GLU 58 N 0.13 0.15 -0.04 1.57 4.22 0.44 0.44 114.58 121.49 1bde h GLU 58 Ca -0.22 -0.01 -0.17 0.00 0.08 0.00 0.00 59.36 59.03 1bde h GLU 58 Cb 2.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 1bde h GLU 58 CO 0.26 0.15 -0.74 0.00 -2.18 0.00 0.00 179.01 176.50 1bde h ALA 59 N 1.87 0.67 0.00 2.92 0.00 -0.65 0.53 119.26 124.60 1bde h ALA 59 Ca 0.04 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 1bde h ALA 59 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1bde h ALA 59 CO -0.00 0.81 -1.26 -0.84 0.00 0.00 0.00 179.25 177.95 1bde h ILE 60 N 0.17 0.71 0.06 0.00 3.07 -0.66 -3.32 117.51 117.54 1bde h ILE 60 Ca -0.03 -2.25 -0.26 0.00 1.55 0.00 0.00 64.86 63.88 1bde h ILE 60 Cb 1.31 2.22 -0.02 0.00 -0.27 0.00 0.00 36.82 40.06 1bde h ILE 60 CO 0.12 0.40 -1.25 0.40 -1.05 0.00 0.00 178.15 176.77 1bde h ILE 61 N 0.00 1.45 0.16 0.16 2.04 -0.17 -3.14 117.51 118.00 1bde h ILE 61 Ca -0.14 -3.12 0.01 0.00 1.00 0.00 0.00 64.86 62.61 1bde h ILE 61 Cb 1.63 2.82 -0.02 0.00 -0.74 0.00 0.00 36.82 40.50 1bde h ILE 61 CO 0.06 0.87 -0.22 -0.09 0.00 0.00 0.00 178.15 178.77 1bde h ARG 62 N 0.04 -0.43 0.00 2.37 2.43 -0.01 -0.06 114.38 118.72 1bde h ARG 62 Ca -0.12 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 1bde h ARG 62 Cb 1.91 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.54 1bde h ARG 62 CO 0.15 -0.28 -0.47 -0.84 -1.51 0.00 0.00 179.97 177.02 1bde h ILE 63 N -0.44 1.12 0.00 1.20 -0.00 -1.71 0.66 117.51 118.34 1bde h ILE 63 Ca 0.01 -1.73 -0.11 0.00 -0.00 0.00 0.00 64.86 63.03 1bde h ILE 63 Cb 0.44 1.99 -0.02 0.00 -0.00 0.00 0.00 36.82 39.24 1bde h ILE 63 CO -0.09 0.46 -0.52 0.25 -0.00 0.00 0.00 178.15 178.24 1bde h LEU 64 N 0.00 0.00 0.00 0.16 5.85 -1.41 0.25 115.31 120.16 1bde h LEU 64 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1bde h LEU 64 Cb 0.96 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1bde h LEU 64 CO 0.06 0.52 -0.21 1.56 -0.34 0.00 0.00 178.44 180.03 1bde h GLN 65 N 0.00 0.00 -0.98 1.25 7.50 -0.74 -1.97 115.11 120.17 1bde h GLN 65 Ca -0.01 0.00 0.21 0.00 0.50 0.00 0.00 58.65 59.35 1bde h GLN 65 Cb 0.94 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 28.38 1bde h GLN 65 CO 0.07 0.53 0.62 1.96 -1.50 0.00 0.00 178.83 180.50 1bde h GLN 66 N -1.00 0.59 0.08 1.46 4.20 -0.79 0.48 115.11 120.13 1bde h GLN 66 Ca -0.04 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.37 1bde h GLN 66 Cb 0.62 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1bde h GLN 66 CO -0.03 0.39 -1.27 -0.07 -0.67 0.00 0.00 178.83 177.18 1bde h LEU 67 N 0.60 0.27 -1.28 1.46 3.38 -0.61 -2.94 115.31 116.18 1bde h LEU 67 Ca 0.55 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1bde h LEU 67 Cb 1.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1bde h LEU 67 CO -0.31 1.25 0.00 0.25 0.09 0.00 0.00 178.44 179.72 1bde h LEU 68 N 0.05 0.00 -0.35 1.67 5.85 -0.13 -2.06 115.31 120.34 1bde h LEU 68 Ca -0.13 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.40 1bde h LEU 68 Cb 1.93 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.96 1bde h LEU 68 CO 0.17 0.00 -0.70 -0.26 -0.34 0.00 0.00 178.44 177.31 1bde h PHE 69 N 0.00 0.76 -0.95 1.25 0.04 0.03 -3.13 116.94 114.94 1bde h PHE 69 Ca 0.00 -0.32 0.23 0.00 2.80 0.00 0.00 57.97 60.68 1bde h PHE 69 Cb 0.50 -0.12 -0.12 0.00 2.20 0.00 0.00 35.95 38.40 1bde h PHE 69 CO 0.00 1.10 0.50 0.82 -0.60 0.00 0.00 178.31 180.13 1bde h ILE 70 N 0.41 0.53 -0.97 -0.55 1.08 -1.32 0.50 117.51 117.19 1bde h ILE 70 Ca -0.03 -0.18 0.21 0.00 -0.39 0.00 0.00 64.86 64.48 1bde h ILE 70 Cb 1.29 -0.03 -0.08 0.00 -3.07 0.00 0.00 36.82 34.92 1bde h ILE 70 CO 0.13 0.09 0.62 -0.74 -0.69 0.00 0.00 178.15 177.57 1bde h HIS 71 N 0.52 0.73 0.00 1.37 -0.00 -1.63 0.77 115.15 116.91 1bde h HIS 71 Ca 0.60 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.99 1bde h HIS 71 Cb 1.10 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 28.29 1bde h HIS 71 CO -0.06 0.16 -0.01 0.35 -0.00 0.00 0.00 177.93 178.37 1bde h PHE 72 N 0.52 0.00 0.00 5.26 3.57 -0.14 0.21 116.94 126.36 1bde h PHE 72 Ca 0.53 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.02 1bde h PHE 72 Cb 1.16 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1bde h PHE 72 CO -0.00 0.01 -1.22 0.54 -2.23 0.00 0.00 178.31 175.41 1bde n ARG 73 N -3.10 0.62 -0.07 1.11 1.74 0.18 -3.98 116.66 113.15 1bde n ARG 73 Ca 0.03 0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1bde n ARG 73 Cb 0.46 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1bde n ARG 73 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1bde h ILE 74 N 0.00 0.13 0.00 0.55 2.04 0.51 -3.35 117.51 117.39 1bde h ILE 74 Ca -0.01 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1bde h ILE 74 Cb 1.04 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1bde h ILE 74 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1bde n GLY 75 N 1.66 -3.16 0.00 5.37 0.00 0.72 0.49 105.19 110.27 1bde n GLY 75 Ca -0.07 0.47 0.03 0.00 0.00 0.00 0.00 46.02 46.45 1bde n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bde n ARG 77 N -0.76 0.05 0.16 0.00 0.63 -0.96 -4.64 116.66 111.14 1bde n ARG 77 Ca 0.04 0.01 0.05 0.00 -0.92 0.00 0.00 57.85 57.03 1bde n ARG 77 Cb 0.02 -0.99 0.10 0.00 0.45 0.00 0.00 32.46 32.04 1bde n ARG 77 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1bde h HIS 78 N -0.01 0.00 0.00 -0.14 2.76 0.15 -3.46 115.15 114.45 1bde h HIS 78 Ca -0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1bde h HIS 78 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.02 1bde h HIS 78 CO 0.00 0.39 0.00 0.45 -1.30 0.00 0.00 177.93 177.47 1bde n SER 79 N -3.23 0.00 -3.80 3.26 2.88 0.15 -4.92 113.62 107.96 1bde n SER 79 Ca 0.02 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.29 1bde n SER 79 Cb 0.67 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.00 -6.04 -1.65 -1.46 0.00 -1.26 -4.80 116.66 101.44 1bde n ARG 80 Ca 0.00 0.66 -0.36 0.00 -0.00 0.00 0.00 57.85 58.15 1bde n ARG 80 Cb 0.00 -5.55 -0.06 0.00 0.00 0.00 0.00 32.46 26.85 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 -4.69 1.95 0.00 5.15 5.41 -1.26 -5.06 119.36 120.86 1bde n ILE 81 Ca -0.02 -1.89 0.00 0.00 1.00 0.00 0.00 62.75 61.84 1bde n ILE 81 Cb 0.56 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 1bde n ILE 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16