#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 2.84 0.06 2.72 0.00 -1.26 -4.96 107.32 106.73 1bde s GLY 51 Ca 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 44.72 41.10 1bde s GLY 51 CO 0.00 1.43 0.54 2.09 0.00 0.00 0.00 173.10 177.17 1bde n ASP 52 N 3.77 -0.32 -0.28 1.64 5.75 -1.26 0.85 116.55 126.69 1bde n ASP 52 Ca 0.22 0.62 -0.05 0.00 -0.01 0.00 0.00 54.79 55.57 1bde n ASP 52 Cb 0.43 -0.10 0.06 0.00 -1.03 0.00 0.00 41.12 40.48 1bde n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bde h THR 53 N 0.00 1.22 -0.06 2.12 1.03 -1.99 -0.03 112.91 115.19 1bde h THR 53 Ca 0.08 -0.49 -0.00 0.00 -0.01 0.00 0.00 66.41 65.99 1bde h THR 53 Cb 0.17 0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 67.41 1bde h THR 53 CO -0.34 0.23 0.04 -0.50 -0.01 0.00 0.00 175.52 174.94 1bde h TRP 54 N 1.04 0.09 -0.97 0.00 4.06 0.03 0.13 115.95 120.34 1bde h TRP 54 Ca 0.27 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.29 1bde h TRP 54 Cb -0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.04 1bde h TRP 54 CO -0.01 0.11 0.62 0.00 -3.56 0.00 0.00 178.44 175.60 1bde h ALA 55 N 0.97 1.34 -0.54 1.49 0.00 -0.59 0.45 119.26 122.38 1bde h ALA 55 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bde h ALA 55 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1bde h ALA 55 CO -0.00 0.41 0.23 0.78 0.00 0.00 0.00 179.25 180.66 1bde h GLY 56 N 1.13 0.85 1.62 0.00 0.00 0.08 -2.39 103.07 104.37 1bde h GLY 56 Ca 0.42 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 1bde h GLY 56 CO -0.17 0.43 -0.50 -2.08 0.00 0.00 0.00 176.54 174.22 1bde h VAL 57 N 0.73 1.33 0.00 4.60 2.07 0.57 -1.95 116.25 123.60 1bde h VAL 57 Ca 0.18 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1bde h VAL 57 Cb 0.17 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1bde h VAL 57 CO -0.02 0.53 0.00 1.21 0.02 0.00 0.00 177.57 179.31 1bde n GLU 58 N -3.97 0.14 -0.04 1.57 0.00 0.15 -0.18 120.64 118.32 1bde n GLU 58 Ca -0.02 0.41 -0.08 0.00 0.00 0.00 0.00 57.16 57.47 1bde n GLU 58 Cb 0.56 -1.80 -0.14 0.00 0.00 0.00 0.00 31.44 30.06 1bde n GLU 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bde n ALA 59 N -1.71 1.54 0.03 4.31 0.00 -0.79 -3.52 120.51 120.36 1bde n ALA 59 Ca 0.02 -0.90 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 1bde n ALA 59 Cb 0.19 -0.68 -0.14 0.00 0.00 0.00 0.00 19.45 18.82 1bde n ALA 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1bde h ILE 60 N 0.00 1.01 0.00 0.00 3.07 -0.68 -3.26 117.51 117.65 1bde h ILE 60 Ca -0.34 -2.74 -0.01 0.00 1.55 0.00 0.00 64.86 63.31 1bde h ILE 60 Cb 2.04 2.62 -0.00 0.00 -0.27 0.00 0.00 36.82 41.20 1bde h ILE 60 CO 0.06 0.74 -0.07 0.40 -1.05 0.00 0.00 178.15 178.24 1bde h ILE 61 N 0.04 0.50 -0.18 0.16 5.03 -0.73 -2.29 117.51 120.05 1bde h ILE 61 Ca -0.27 -0.30 -0.06 0.00 -0.12 0.00 0.00 64.86 64.10 1bde h ILE 61 Cb 2.00 1.20 -0.00 0.00 -3.03 0.00 0.00 36.82 36.98 1bde h ILE 61 CO 0.12 0.06 -0.14 0.08 -0.68 0.00 0.00 178.15 177.59 1bde h ARG 62 N 0.00 0.41 0.00 2.37 0.11 -1.60 -2.21 114.38 113.46 1bde h ARG 62 Ca -0.00 -0.20 -0.21 0.00 0.10 0.00 0.00 59.98 59.67 1bde h ARG 62 Cb 0.20 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.25 1bde h ARG 62 CO 0.01 0.75 -1.02 -0.84 0.10 0.00 0.00 179.97 178.97 1bde h ILE 63 N 0.07 1.60 0.00 0.08 -0.00 -1.69 -1.81 117.51 115.76 1bde h ILE 63 Ca 0.03 -3.30 -0.08 0.00 -0.00 0.00 0.00 64.86 61.51 1bde h ILE 63 Cb 0.66 2.79 -0.01 0.00 -0.00 0.00 0.00 36.82 40.26 1bde h ILE 63 CO 0.04 0.91 -0.40 0.25 -0.00 0.00 0.00 178.15 178.95 1bde h LEU 64 N 0.00 0.00 0.00 0.16 5.85 -1.46 0.65 115.31 120.50 1bde h LEU 64 Ca -0.03 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1bde h LEU 64 Cb 1.76 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1bde h LEU 64 CO 0.12 0.40 -0.42 1.56 -0.34 0.00 0.00 178.44 179.76 1bde h GLN 65 N 0.00 0.00 -0.90 1.25 7.50 -1.39 -2.19 115.11 119.39 1bde h GLN 65 Ca -0.00 0.00 0.17 0.00 0.50 0.00 0.00 58.65 59.32 1bde h GLN 65 Cb 0.87 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.33 1bde h GLN 65 CO 0.05 0.62 0.58 1.96 -1.50 0.00 0.00 178.83 180.55 1bde h GLN 66 N -1.00 0.57 0.07 1.46 4.20 -1.27 0.17 115.11 119.31 1bde h GLN 66 Ca -0.09 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.33 1bde h GLN 66 Cb 0.79 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1bde h GLN 66 CO -0.06 0.37 -1.19 -0.07 -0.67 0.00 0.00 178.83 177.22 1bde h LEU 67 N 0.58 0.23 -1.70 1.46 3.38 -0.98 -2.87 115.31 115.40 1bde h LEU 67 Ca 0.46 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1bde h LEU 67 Cb 0.90 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1bde h LEU 67 CO -0.21 1.20 -0.07 0.25 0.09 0.00 0.00 178.44 179.70 1bde h LEU 68 N 0.04 0.00 -0.03 1.67 5.85 -0.43 -1.98 115.31 120.43 1bde h LEU 68 Ca -0.10 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1bde h LEU 68 Cb 1.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1bde h LEU 68 CO 0.17 0.07 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.94 1bde h PHE 69 N 0.00 0.19 -0.95 1.25 0.04 -0.53 -3.23 116.94 113.72 1bde h PHE 69 Ca -0.00 -0.09 0.19 0.00 2.80 0.00 0.00 57.97 60.88 1bde h PHE 69 Cb 0.45 -0.03 -0.11 0.00 2.20 0.00 0.00 35.95 38.46 1bde h PHE 69 CO 0.00 0.78 0.53 0.82 -0.60 0.00 0.00 178.31 179.85 1bde h ILE 70 N -0.45 0.65 -1.04 -0.55 1.08 -1.16 0.20 117.51 116.24 1bde h ILE 70 Ca -0.01 -0.22 0.27 0.00 -0.39 0.00 0.00 64.86 64.51 1bde h ILE 70 Cb 0.80 -0.05 -0.10 0.00 -3.07 0.00 0.00 36.82 34.39 1bde h ILE 70 CO 0.03 0.12 0.66 -0.74 -0.69 0.00 0.00 178.15 177.52 1bde h HIS 71 N 0.65 0.74 0.00 1.37 -0.00 -1.51 0.84 115.15 117.23 1bde h HIS 71 Ca 0.56 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.93 1bde h HIS 71 Cb 0.91 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.11 1bde h HIS 71 CO -0.05 0.05 -0.12 0.35 -0.00 0.00 0.00 177.93 178.16 1bde h PHE 72 N 0.43 0.00 0.00 5.26 3.04 -0.73 0.28 116.94 125.22 1bde h PHE 72 Ca 0.62 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.49 1bde h PHE 72 Cb 1.48 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.98 1bde h PHE 72 CO -0.00 0.12 -0.87 0.00 -2.02 0.00 0.00 178.31 175.54 1bde h ARG 73 N 0.00 0.00 0.00 1.11 3.08 0.58 -3.31 114.38 115.83 1bde h ARG 73 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bde h ARG 73 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1bde h ARG 73 CO 0.02 0.18 0.00 -0.89 -1.07 0.00 0.00 179.97 178.21 1bde n ILE 74 N -2.91 0.00 0.00 2.04 5.41 0.22 -3.78 119.36 120.33 1bde n ILE 74 Ca -0.02 0.46 0.00 0.00 1.00 0.00 0.00 62.75 64.19 1bde n ILE 74 Cb 0.67 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 1bde n ILE 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bde n GLY 75 N 1.93 -2.47 0.36 7.39 0.00 0.95 0.68 105.19 114.04 1bde n GLY 75 Ca 0.00 0.51 0.18 0.00 0.00 0.00 0.00 46.02 46.71 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 0.02 0.00 0.00 0.00 2.43 -1.35 -3.39 114.38 112.09 1bde h ARG 77 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1bde h ARG 77 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1bde h ARG 77 CO -0.01 0.55 -0.04 0.45 -1.51 0.00 0.00 179.97 179.41 1bde h HIS 78 N 0.00 0.00 -1.53 2.20 3.86 0.25 -3.49 115.15 116.44 1bde h HIS 78 Ca -0.03 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.29 1bde h HIS 78 Cb 1.47 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.73 1bde h HIS 78 CO 0.00 0.00 -0.07 -1.12 0.86 0.00 0.00 177.93 177.60 1bde s SER 79 N -3.62 -1.05 0.18 2.45 0.01 0.68 -5.07 113.70 107.28 1bde s SER 79 Ca -0.01 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1bde s SER 79 Cb 0.00 2.11 0.00 0.00 0.21 0.00 0.00 66.02 68.34 1bde s SER 79 CO 0.02 -0.20 0.00 -1.14 0.41 0.00 0.00 173.24 172.33 1bde n ARG 80 N 5.35 0.00 -4.06 12.44 3.00 -1.26 -4.60 116.66 127.53 1bde n ARG 80 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.66 1bde n ARG 80 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.88 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 -1.36 0.08 0.00 5.15 1.01 -1.26 -5.10 121.20 119.73 1bde s ILE 81 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1bde s ILE 81 Cb 0.00 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1bde s ILE 81 CO 0.00 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.17