#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afo s GLN 63 N 0.00 0.52 1.07 5.55 -2.07 -1.26 -5.04 119.66 118.43 1afo s GLN 63 Ca 0.00 0.47 0.00 0.00 -1.82 0.00 0.00 55.36 54.01 1afo s GLN 63 Cb 0.00 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 32.03 1afo s GLN 63 CO 0.00 -1.01 0.00 1.28 -1.32 0.00 0.00 175.29 174.24 1afo n LEU 64 N 5.40 0.00 -3.64 2.60 4.32 -1.26 -4.25 117.00 120.17 1afo n LEU 64 Ca 0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.96 1afo n LEU 64 Cb 0.52 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.26 1afo n LEU 64 CO -0.04 0.00 0.32 0.00 -1.22 0.00 0.00 177.39 176.44 1afo s ALA 65 N -1.00 -1.87 0.00 -1.18 0.00 -1.26 -5.09 121.76 111.36 1afo s ALA 65 Ca 0.00 2.37 0.00 0.00 0.00 0.00 0.00 51.96 54.33 1afo s ALA 65 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1afo s ALA 65 CO 0.00 -0.49 0.64 0.72 0.00 0.00 0.00 175.76 176.63 1afo n HIS 66 N 4.56 0.00 0.02 0.00 8.25 -1.26 -4.97 115.22 121.82 1afo n HIS 66 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1afo n HIS 66 Cb 0.57 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1afo n HIS 66 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1afo n HIS 67 N -1.05 -2.48 -2.92 4.41 -0.00 -1.26 -5.08 115.22 106.84 1afo n HIS 67 Ca 0.00 0.15 -0.42 0.00 0.46 0.00 0.00 57.72 57.91 1afo n HIS 67 Cb 0.00 0.78 -0.05 0.00 -0.12 0.00 0.00 29.99 30.60 1afo n HIS 67 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1afo s PHE 68 N -1.10 3.20 -0.08 1.57 0.40 -1.26 -4.78 117.98 115.93 1afo s PHE 68 Ca 0.00 0.85 0.03 0.00 -0.60 0.00 0.00 56.93 57.21 1afo s PHE 68 Cb 0.00 -3.25 0.10 0.00 0.51 0.00 0.00 43.02 40.38 1afo s PHE 68 CO 0.00 -0.58 0.71 -1.13 0.70 0.00 0.00 175.22 174.93 1afo n SER 69 N 6.25 -0.47 -3.78 1.36 3.41 -1.26 -5.14 113.62 113.99 1afo n SER 69 Ca 0.04 -1.21 -0.13 0.00 -0.26 0.00 0.00 58.87 57.32 1afo n SER 69 Cb 0.48 0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.50 1afo n SER 69 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1afo s GLU 70 N 0.03 0.20 0.33 4.33 2.02 -1.26 -5.03 118.70 119.32 1afo s GLU 70 Ca 0.02 0.33 0.04 0.00 0.02 0.00 0.00 54.97 55.38 1afo s GLU 70 Cb 0.11 0.02 0.58 0.00 0.10 0.00 0.00 34.13 34.94 1afo s GLU 70 CO -0.03 -0.07 1.87 -1.00 0.02 0.00 0.00 175.26 176.04 1afo h PRO 71 N 6.32 0.55 -0.49 0.39 0.13 -2.00 -3.14 132.00 133.76 1afo h PRO 71 Ca -0.31 -0.12 0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1afo h PRO 71 Cb 1.18 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.14 1afo h PRO 71 CO 0.39 0.57 -0.50 1.05 -0.23 0.00 0.00 178.00 179.28 1afo h GLU 72 N 0.53 -0.31 -0.60 0.86 -0.00 -1.99 0.48 114.58 113.55 1afo h GLU 72 Ca 0.11 0.02 0.10 0.00 -0.00 0.00 0.00 59.36 59.59 1afo h GLU 72 Cb 0.33 0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 29.12 1afo h GLU 72 CO 0.01 -0.20 0.41 0.97 -0.00 0.00 0.00 179.01 180.19 1afo h ILE 73 N -0.32 0.89 -0.21 -1.06 6.09 -1.96 0.37 117.51 121.30 1afo h ILE 73 Ca 0.12 -0.14 -0.02 0.00 -1.37 0.00 0.00 64.86 63.45 1afo h ILE 73 Cb 0.58 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.31 1afo h ILE 73 CO -0.64 0.07 0.06 0.74 -3.07 0.00 0.00 178.15 175.32 1afo h THR 74 N 0.41 1.19 -0.01 2.19 2.02 -0.16 0.23 112.91 118.78 1afo h THR 74 Ca 0.28 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1afo h THR 74 Cb 0.56 1.20 0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1afo h THR 74 CO -0.08 0.20 -0.30 0.25 0.37 0.00 0.00 175.52 175.96 1afo h LEU 75 N 0.17 0.28 -0.37 2.58 6.46 -0.20 -1.89 115.31 122.34 1afo h LEU 75 Ca 0.07 -0.75 0.04 0.00 -0.12 0.00 0.00 57.88 57.12 1afo h LEU 75 Cb 0.24 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 1afo h LEU 75 CO -0.00 1.00 0.14 0.40 -0.62 0.00 0.00 178.44 179.36 1afo h ILE 76 N -0.40 0.91 -0.34 4.05 2.04 -0.32 0.38 117.51 123.83 1afo h ILE 76 Ca -0.03 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1afo h ILE 76 Cb 1.03 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1afo h ILE 76 CO 0.06 0.06 0.14 0.40 0.00 0.00 0.00 178.15 178.80 1afo h ILE 77 N 0.30 0.94 -0.35 -0.67 1.08 -0.59 -0.43 117.51 117.78 1afo h ILE 77 Ca 0.17 -0.10 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 1afo h ILE 77 Cb 0.13 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 1afo h ILE 77 CO -0.16 0.05 0.15 -0.26 -0.69 0.00 0.00 178.15 177.24 1afo h PHE 78 N 0.30 0.27 -0.37 1.37 -1.00 -0.39 -0.94 116.94 116.16 1afo h PHE 78 Ca 0.15 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.98 1afo h PHE 78 Cb 0.10 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 1afo h PHE 78 CO -0.12 0.13 0.15 0.78 -1.61 0.00 0.00 178.31 177.63 1afo h GLY 79 N 0.31 0.49 0.74 -1.45 0.00 0.41 0.24 103.07 103.81 1afo h GLY 79 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1afo h GLY 79 CO -0.14 0.05 0.13 -2.08 0.00 0.00 0.00 176.54 174.50 1afo h VAL 80 N 0.32 0.92 -0.35 4.60 2.07 -0.56 0.92 116.25 124.17 1afo h VAL 80 Ca 0.17 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1afo h VAL 80 Cb 0.12 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1afo h VAL 80 CO -0.15 0.05 0.15 0.24 0.02 0.00 0.00 177.57 177.88 1afo h MET 81 N 0.28 0.31 -0.43 1.57 2.07 -0.44 -1.81 114.93 116.49 1afo h MET 81 Ca 0.15 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.80 1afo h MET 81 Cb 0.11 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 29.73 1afo h MET 81 CO -0.14 0.21 0.20 0.00 1.07 0.00 0.00 176.91 178.24 1afo h ALA 82 N 1.20 0.53 -0.36 6.32 0.00 0.33 -0.89 119.26 126.38 1afo h ALA 82 Ca 0.15 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1afo h ALA 82 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1afo h ALA 82 CO -0.13 -0.17 0.15 0.78 0.00 0.00 0.00 179.25 179.88 1afo h GLY 83 N 0.40 0.48 0.73 0.00 0.00 -0.33 -0.86 103.07 103.48 1afo h GLY 83 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.46 1afo h GLY 83 CO -0.15 0.05 0.15 -2.08 0.00 0.00 0.00 176.54 174.52 1afo h VAL 84 N 0.31 0.92 -0.36 4.60 2.07 -0.77 -1.27 116.25 121.75 1afo h VAL 84 Ca 0.16 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1afo h VAL 84 Cb 0.12 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1afo h VAL 84 CO -0.15 0.06 0.15 0.40 0.02 0.00 0.00 177.57 178.04 1afo h ILE 85 N 0.32 0.92 -0.37 4.57 2.04 -0.48 -0.09 117.51 124.42 1afo h ILE 85 Ca 0.16 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 85 Cb 0.12 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1afo h ILE 85 CO -0.15 0.06 0.15 1.23 0.00 0.00 0.00 178.15 179.44 1afo h GLY 86 N 0.31 0.48 0.73 5.37 0.00 -0.67 -0.95 103.07 108.35 1afo h GLY 86 Ca 0.16 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1afo h GLY 86 CO -0.15 0.06 0.17 -0.84 0.00 0.00 0.00 176.54 175.78 1afo h THR 87 N 0.32 0.93 -0.39 4.70 2.02 -0.62 -1.36 112.91 118.51 1afo h THR 87 Ca 0.16 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.26 1afo h THR 87 Cb 0.11 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1afo h THR 87 CO -0.15 0.06 0.15 0.40 0.37 0.00 0.00 175.52 176.36 1afo h ILE 88 N 0.35 0.91 -0.43 3.11 2.04 -0.31 -0.03 117.51 123.15 1afo h ILE 88 Ca 0.18 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 88 Cb 0.12 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 88 CO -0.15 0.06 0.19 0.17 0.00 0.00 0.00 178.15 178.42 1afo h LEU 89 N 0.32 0.25 -0.40 1.44 8.10 -0.62 -0.83 115.31 123.57 1afo h LEU 89 Ca 0.17 0.03 0.04 0.00 0.11 0.00 0.00 57.88 58.24 1afo h LEU 89 Cb 0.14 -0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 40.31 1afo h LEU 89 CO -0.16 0.18 0.17 0.25 -4.11 0.00 0.00 178.44 174.77 1afo h LEU 90 N 0.38 0.22 -0.40 0.17 6.46 -0.45 -1.31 115.31 120.39 1afo h LEU 90 Ca 0.19 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 58.02 1afo h LEU 90 Cb 0.13 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.02 1afo h LEU 90 CO -0.16 0.17 0.16 0.40 -0.62 0.00 0.00 178.44 178.39 1afo h ILE 91 N 0.35 0.91 -0.35 4.05 2.04 -0.21 0.21 117.51 124.52 1afo h ILE 91 Ca 0.18 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 91 Cb 0.12 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1afo h ILE 91 CO -0.15 0.06 0.12 0.28 0.00 0.00 0.00 178.15 178.47 1afo h SER 92 N 0.34 0.14 -0.34 1.72 0.02 -0.60 0.19 113.55 115.01 1afo h SER 92 Ca 0.18 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1afo h SER 92 Cb 0.13 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1afo h SER 92 CO -0.16 0.11 0.14 0.22 -1.14 0.00 0.00 176.83 176.00 1afo h TYR 93 N 0.27 0.25 -0.36 3.45 5.03 -0.36 -0.55 116.97 124.70 1afo h TYR 93 Ca 0.16 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.52 1afo h TYR 93 Cb 0.13 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.31 1afo h TYR 93 CO -0.14 0.12 0.15 0.78 -1.32 0.00 0.00 178.16 177.75 1afo h GLY 94 N 0.29 0.47 0.71 1.82 0.00 0.32 -1.00 103.07 105.69 1afo h GLY 94 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1afo h GLY 94 CO -0.13 0.06 0.16 -2.22 0.00 0.00 0.00 176.54 174.41 1afo h ILE 95 N 0.32 0.92 -0.39 2.60 2.04 -0.07 -0.99 117.51 121.93 1afo h ILE 95 Ca 0.16 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1afo h ILE 95 Cb 0.11 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1afo h ILE 95 CO -0.14 0.06 0.16 -0.09 0.00 0.00 0.00 178.15 178.14 1afo h ARG 96 N 0.34 0.32 -0.35 2.37 2.43 -0.44 -1.02 114.38 118.03 1afo h ARG 96 Ca 0.18 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1afo h ARG 96 Cb 0.13 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1afo h ARG 96 CO -0.16 0.21 0.16 -0.09 -1.51 0.00 0.00 179.97 178.58 1afo h ARG 97 N 0.33 0.32 -0.39 0.20 1.12 -0.54 1.26 114.38 116.68 1afo h ARG 97 Ca 0.18 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.07 1afo h ARG 97 Cb 0.13 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 1afo h ARG 97 CO -0.16 0.21 0.16 -0.07 -3.11 0.00 0.00 179.97 177.00 1afo h LEU 98 N 0.33 0.21 0.00 3.80 3.38 -0.54 -1.77 115.31 120.72 1afo h LEU 98 Ca 0.15 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1afo h LEU 98 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1afo h LEU 98 CO -0.12 0.16 -0.04 0.16 0.09 0.00 0.00 178.44 178.69 1afo h ILE 99 N 0.34 0.00 -3.16 1.22 3.07 -0.80 -3.43 117.51 114.74 1afo h ILE 99 Ca 0.17 -0.93 -0.31 0.00 1.55 0.00 0.00 64.86 65.34 1afo h ILE 99 Cb 0.12 1.91 -0.36 0.00 -0.27 0.00 0.00 36.82 38.23 1afo h ILE 99 CO -0.15 0.00 -0.66 -0.75 -1.05 0.00 0.00 178.15 175.54 1afo s LYS 100 N -3.20 0.01 0.00 0.16 2.47 0.43 -5.08 119.74 114.53 1afo s LYS 100 Ca 0.07 0.50 0.00 0.00 -1.56 0.00 0.00 55.97 54.98 1afo s LYS 100 Cb 0.06 -0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.11 1afo s LYS 100 CO 0.67 -0.30 0.00 1.17 0.16 0.00 0.00 175.35 177.05