#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 0.07 1.17 5.55 1.03 -1.26 -5.16 119.66 121.06 1afo s GLN 63 Ca 0.00 -0.00 -0.18 0.00 0.04 0.00 0.00 55.36 55.22 1afo s GLN 63 Cb 0.00 0.03 0.20 0.00 0.03 0.00 0.00 33.01 33.27 1afo s GLN 63 CO 0.00 -0.03 0.37 1.47 -2.54 0.00 0.00 175.29 174.56 1afo n LEU 64 N 0.31 -1.75 -3.15 2.60 -0.00 -1.26 -5.03 117.00 108.73 1afo n LEU 64 Ca 0.02 -0.32 0.05 0.00 -0.00 0.00 0.00 56.01 55.75 1afo n LEU 64 Cb 0.58 -0.96 -0.01 0.00 -0.00 0.00 0.00 43.42 43.03 1afo n LEU 64 CO 0.08 -3.40 0.32 0.00 -0.00 0.00 0.00 177.39 174.38 1afo s ALA 65 N -2.20 -2.99 0.88 1.47 0.00 -1.26 -5.16 121.76 112.50 1afo s ALA 65 Ca 0.55 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1afo s ALA 65 Cb -0.13 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1afo s ALA 65 CO 0.57 -1.71 0.00 0.72 0.00 0.00 0.00 175.76 175.34 1afo n HIS 66 N 5.36 0.00 -0.54 0.00 8.25 -1.26 -5.00 115.22 122.03 1afo n HIS 66 Ca 0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.31 1afo n HIS 66 Cb 0.54 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.81 1afo n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1afo n HIS 67 N 0.00 -3.32 0.18 4.41 8.25 -1.26 -4.98 115.22 118.51 1afo n HIS 67 Ca 0.00 -0.53 0.02 0.00 -0.26 0.00 0.00 57.72 56.95 1afo n HIS 67 Cb 0.00 -0.67 -0.01 0.00 1.12 0.00 0.00 29.99 30.42 1afo n HIS 67 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1afo n PHE 68 N -4.16 0.00 -1.00 4.41 3.01 -1.26 -5.04 117.46 113.41 1afo n PHE 68 Ca 0.08 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.19 1afo n PHE 68 Cb 0.34 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.88 1afo n PHE 68 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1afo n SER 69 N -0.85 -3.46 -4.08 4.37 3.41 -1.26 -5.00 113.62 106.75 1afo n SER 69 Ca 0.01 0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.88 1afo n SER 69 Cb 0.07 -1.02 -0.11 0.00 -0.26 0.00 0.00 64.21 62.90 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 -2.64 0.58 1.20 4.33 0.41 -1.26 -5.15 118.70 116.18 1afo s GLU 70 Ca 0.53 -0.98 -0.13 0.00 -0.41 0.00 0.00 54.97 53.97 1afo s GLU 70 Cb -0.25 -0.08 0.30 0.00 -1.78 0.00 0.00 34.13 32.32 1afo s GLU 70 CO 0.71 -0.02 1.01 -2.14 -0.49 0.00 0.00 175.26 174.33 1afo s PRO 71 N -2.66 -1.21 0.00 0.39 0.02 -1.26 -4.71 135.00 125.57 1afo s PRO 71 Ca -0.02 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1afo s PRO 71 Cb -0.02 -1.52 0.00 0.00 0.02 0.00 0.00 34.50 32.98 1afo s PRO 71 CO -0.03 -3.91 0.64 0.39 -0.33 0.00 0.00 177.00 173.76 1afo n GLU 72 N -5.04 0.00 -0.46 5.54 1.02 -1.26 -1.38 120.64 119.06 1afo n GLU 72 Ca 0.02 0.27 0.39 0.00 -0.02 0.00 0.00 57.16 57.82 1afo n GLU 72 Cb 0.54 -1.19 0.67 0.00 -0.02 0.00 0.00 31.44 31.45 1afo n GLU 72 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1afo h ILE 73 N 0.00 0.06 -0.22 -3.67 6.09 -1.97 1.01 117.51 118.81 1afo h ILE 73 Ca 0.00 -0.01 -0.02 0.00 -1.37 0.00 0.00 64.86 63.45 1afo h ILE 73 Cb 0.00 0.01 -0.01 0.00 0.47 0.00 0.00 36.82 37.29 1afo h ILE 73 CO 0.00 0.01 0.05 0.71 -3.07 0.00 0.00 178.15 175.85 1afo h THR 74 N 0.04 1.21 0.03 2.19 1.35 -1.89 0.14 112.91 115.99 1afo h THR 74 Ca 0.86 -0.70 -0.08 0.00 -0.55 0.00 0.00 66.41 65.93 1afo h THR 74 Cb 2.73 1.25 0.01 0.00 -1.73 0.00 0.00 68.15 70.40 1afo h THR 74 CO -0.44 0.22 -0.35 0.25 -0.25 0.00 0.00 175.52 174.95 1afo h LEU 75 N 0.18 0.26 -0.27 3.87 6.46 0.21 -1.92 115.31 124.10 1afo h LEU 75 Ca 0.07 -0.85 0.03 0.00 -0.12 0.00 0.00 57.88 57.01 1afo h LEU 75 Cb 0.29 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1afo h LEU 75 CO 0.00 1.08 0.07 0.40 -0.62 0.00 0.00 178.44 179.37 1afo h ILE 76 N -0.54 0.90 -0.31 4.05 2.04 -0.32 0.27 117.51 123.59 1afo h ILE 76 Ca -0.05 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1afo h ILE 76 Cb 1.16 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1afo h ILE 76 CO 0.07 0.03 0.15 -0.29 0.00 0.00 0.00 178.15 178.11 1afo h ILE 77 N 0.18 0.98 -0.35 -0.67 2.10 -1.05 -1.87 117.51 116.82 1afo h ILE 77 Ca 0.12 -0.11 0.04 0.00 1.08 0.00 0.00 64.86 65.99 1afo h ILE 77 Cb 0.11 0.64 -0.04 0.00 -1.09 0.00 0.00 36.82 36.44 1afo h ILE 77 CO -0.15 0.06 0.14 -0.26 -1.08 0.00 0.00 178.15 176.86 1afo h PHE 78 N 0.32 0.25 -0.35 2.19 -1.00 -0.47 -0.38 116.94 117.50 1afo h PHE 78 Ca 0.13 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.97 1afo h PHE 78 Cb 0.05 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1afo h PHE 78 CO -0.10 0.11 0.13 0.78 -1.61 0.00 0.00 178.31 177.62 1afo h GLY 79 N 0.30 0.44 0.76 -1.45 0.00 -0.11 0.17 103.07 103.17 1afo h GLY 79 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 79 CO -0.15 0.04 0.15 -2.08 0.00 0.00 0.00 176.54 174.51 1afo h VAL 80 N 0.28 0.94 -0.41 4.60 2.07 -0.84 -0.42 116.25 122.48 1afo h VAL 80 Ca 0.15 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1afo h VAL 80 Cb 0.12 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1afo h VAL 80 CO -0.15 0.06 0.18 0.24 0.02 0.00 0.00 177.57 177.92 1afo h MET 81 N 0.32 0.36 -0.50 1.57 2.07 -0.29 -1.71 114.93 116.75 1afo h MET 81 Ca 0.16 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.82 1afo h MET 81 Cb 0.10 -0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 29.70 1afo h MET 81 CO -0.13 0.24 0.23 0.00 1.07 0.00 0.00 176.91 178.32 1afo h ALA 82 N 1.24 0.63 -0.42 6.32 0.00 0.07 -1.19 119.26 125.91 1afo h ALA 82 Ca 0.18 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1afo h ALA 82 Cb 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1afo h ALA 82 CO -0.15 -0.13 0.17 0.78 0.00 0.00 0.00 179.25 179.91 1afo h GLY 83 N 0.45 0.56 0.71 0.00 0.00 -0.29 0.50 103.07 105.00 1afo h GLY 83 Ca 0.23 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1afo h GLY 83 CO -0.18 0.04 0.14 -2.08 0.00 0.00 0.00 176.54 174.47 1afo h VAL 84 N 0.35 0.91 -0.41 4.60 2.07 -0.53 -0.71 116.25 122.53 1afo h VAL 84 Ca 0.19 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1afo h VAL 84 Cb 0.16 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1afo h VAL 84 CO -0.18 0.06 0.18 0.40 0.02 0.00 0.00 177.57 178.05 1afo h ILE 85 N 0.31 0.93 -0.44 4.57 2.04 -0.37 -1.61 117.51 122.93 1afo h ILE 85 Ca 0.17 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 85 Cb 0.13 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1afo h ILE 85 CO -0.16 0.07 0.19 1.23 0.00 0.00 0.00 178.15 179.48 1afo h GLY 86 N 0.37 0.59 0.67 5.37 0.00 -0.15 -0.42 103.07 109.51 1afo h GLY 86 Ca 0.18 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 86 CO -0.15 0.06 0.17 -0.84 0.00 0.00 0.00 176.54 175.77 1afo h THR 87 N 0.38 0.90 -0.43 4.70 2.02 -0.52 0.11 112.91 120.07 1afo h THR 87 Ca 0.20 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1afo h THR 87 Cb 0.15 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1afo h THR 87 CO -0.17 0.06 0.19 0.40 0.37 0.00 0.00 175.52 176.36 1afo h ILE 88 N 0.34 0.92 -0.45 3.11 2.04 -0.49 -0.32 117.51 122.66 1afo h ILE 88 Ca 0.19 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 88 Cb 0.16 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1afo h ILE 88 CO -0.18 0.07 0.20 0.25 0.00 0.00 0.00 178.15 178.49 1afo h LEU 89 N 0.38 0.27 -0.45 1.44 5.85 -0.03 -1.26 115.31 121.51 1afo h LEU 89 Ca 0.19 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1afo h LEU 89 Cb 0.14 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1afo h LEU 89 CO -0.16 0.19 0.19 -0.07 -0.34 0.00 0.00 178.44 178.25 1afo h LEU 90 N 0.41 0.25 -0.41 2.25 3.38 0.19 -1.09 115.31 120.29 1afo h LEU 90 Ca 0.20 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.26 1afo h LEU 90 Cb 0.15 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1afo h LEU 90 CO -0.17 0.18 0.16 0.40 0.09 0.00 0.00 178.44 179.11 1afo h ILE 91 N 0.39 0.91 -0.35 1.22 2.04 -0.22 0.22 117.51 121.71 1afo h ILE 91 Ca 0.20 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1afo h ILE 91 Cb 0.16 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1afo h ILE 91 CO -0.18 0.06 0.12 0.28 0.00 0.00 0.00 178.15 178.44 1afo h SER 92 N 0.34 0.13 -0.34 1.72 0.02 -0.47 0.20 113.55 115.14 1afo h SER 92 Ca 0.19 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1afo h SER 92 Cb 0.15 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1afo h SER 92 CO -0.17 0.11 0.14 0.22 -1.14 0.00 0.00 176.83 175.99 1afo h TYR 93 N 0.27 0.26 -0.37 3.45 3.20 -0.31 -1.75 116.97 121.72 1afo h TYR 93 Ca 0.16 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1afo h TYR 93 Cb 0.14 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1afo h TYR 93 CO -0.14 0.12 0.16 0.78 -1.64 0.00 0.00 178.16 177.44 1afo h GLY 94 N 0.30 0.49 0.72 1.82 0.00 0.46 -1.40 103.07 105.46 1afo h GLY 94 Ca 0.15 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1afo h GLY 94 CO -0.13 0.07 0.16 0.16 0.00 0.00 0.00 176.54 176.80 1afo h ILE 95 N 0.34 0.92 -0.38 2.60 3.07 -0.14 -0.54 117.51 123.38 1afo h ILE 95 Ca 0.16 -0.12 0.04 0.00 1.55 0.00 0.00 64.86 66.50 1afo h ILE 95 Cb 0.10 0.55 -0.04 0.00 -0.27 0.00 0.00 36.82 37.16 1afo h ILE 95 CO -0.14 0.06 0.16 0.03 -1.05 0.00 0.00 178.15 177.21 1afo h ARG 96 N 0.34 0.32 -0.37 0.16 3.08 -0.83 -0.97 114.38 116.11 1afo h ARG 96 Ca 0.18 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.24 1afo h ARG 96 Cb 0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1afo h ARG 96 CO -0.16 0.21 0.16 -0.09 -1.07 0.00 0.00 179.97 179.03 1afo h ARG 97 N 0.33 0.33 -0.40 0.04 2.43 -0.57 0.48 114.38 117.03 1afo h ARG 97 Ca 0.17 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1afo h ARG 97 Cb 0.13 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1afo h ARG 97 CO -0.16 0.22 0.17 -0.07 -1.51 0.00 0.00 179.97 178.62 1afo h LEU 98 N 0.34 0.22 -0.17 3.80 3.38 -0.45 0.41 115.31 122.85 1afo h LEU 98 Ca 0.16 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 -0.13 0.16 0.00 2.30 0.09 0.00 0.00 178.44 180.86 1afo n ILE 99 N -4.97 0.04 -3.67 1.22 -5.35 -0.43 -4.29 119.36 101.91 1afo n ILE 99 Ca 0.02 -0.06 -0.28 0.00 -0.27 0.00 0.00 62.75 62.17 1afo n ILE 99 Cb 0.12 -0.11 -0.11 0.00 -1.74 0.00 0.00 39.64 37.80 1afo n ILE 99 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1afo s LYS 100 N -1.96 1.72 0.00 6.28 2.47 0.14 -5.05 119.74 123.34 1afo s LYS 100 Ca 0.20 -2.72 0.00 0.00 -1.56 0.00 0.00 55.97 51.88 1afo s LYS 100 Cb 0.09 -2.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.97 1afo s LYS 100 CO 0.15 -1.32 0.00 1.17 0.16 0.00 0.00 175.35 175.51