#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afo n GLN 63 N 0.00 -1.91 0.00 1.45 0.00 -1.26 -5.07 117.38 110.59 1afo n GLN 63 Ca 0.00 1.73 0.00 0.00 -0.00 0.00 0.00 57.00 58.73 1afo n GLN 63 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 30.24 27.47 1afo n GLN 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1afo n LEU 64 N 0.67 0.00 -4.29 1.69 7.99 -1.26 -5.07 117.00 116.73 1afo n LEU 64 Ca -0.16 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.53 1afo n LEU 64 Cb 0.24 -0.02 -0.16 0.00 -0.11 0.00 0.00 43.42 43.38 1afo n LEU 64 CO 0.18 -0.25 -0.55 0.00 -1.51 0.00 0.00 177.39 175.26 1afo s ALA 65 N -2.12 2.24 -0.08 -1.18 0.00 -1.26 -5.08 121.76 114.27 1afo s ALA 65 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1afo s ALA 65 Cb 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 1afo s ALA 65 CO 0.00 0.41 1.75 -1.01 0.00 0.00 0.00 175.76 176.91 1afo s HIS 66 N -0.15 1.81 0.00 0.00 3.76 -1.26 -4.86 115.29 114.59 1afo s HIS 66 Ca -0.04 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 1afo s HIS 66 Cb -0.14 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.56 1afo s HIS 66 CO 0.04 -4.01 0.00 -2.39 -0.85 0.00 0.00 174.74 167.53 1afo n HIS 67 N 7.84 0.00 -0.68 1.40 1.44 -1.26 -5.15 115.22 118.81 1afo n HIS 67 Ca 0.19 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.59 1afo n HIS 67 Cb 0.43 0.00 0.17 0.00 0.12 0.00 0.00 29.99 30.71 1afo n HIS 67 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1afo n PHE 68 N 0.00 0.10 -3.49 -1.40 7.35 -1.26 -4.93 117.46 113.83 1afo n PHE 68 Ca 0.00 0.31 -0.41 0.00 -0.76 0.00 0.00 57.45 56.58 1afo n PHE 68 Cb 0.00 -1.91 -0.04 0.00 0.35 0.00 0.00 39.48 37.87 1afo n PHE 68 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1afo s SER 69 N -2.46 6.41 0.05 -2.13 0.15 -1.26 -4.90 113.70 109.55 1afo s SER 69 Ca 0.65 -3.24 -0.30 0.00 0.70 0.00 0.00 55.95 53.75 1afo s SER 69 Cb -0.23 -2.06 -0.18 0.00 -1.71 0.00 0.00 66.02 61.85 1afo s SER 69 CO 0.61 -0.35 1.46 -0.33 1.20 0.00 0.00 173.24 175.83 1afo h GLU 70 N 6.86 -0.77 -5.05 5.44 4.39 -2.03 -3.34 114.58 120.08 1afo h GLU 70 Ca 0.12 0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.67 1afo h GLU 70 Cb 0.92 0.18 0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1afo h GLU 70 CO 0.84 -0.47 0.47 -2.30 -1.16 0.00 0.00 179.01 176.39 1afo n PRO 71 N -5.39 0.06 0.00 2.33 -0.02 -1.26 -4.78 135.00 125.94 1afo n PRO 71 Ca -0.12 -1.47 0.00 0.00 -2.02 0.00 0.00 63.50 59.89 1afo n PRO 71 Cb 0.34 -3.46 0.00 0.00 -0.02 0.00 0.00 33.50 30.37 1afo n PRO 71 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1afo n GLU 72 N 8.09 0.00 -0.28 -0.52 4.71 -1.26 -1.02 120.64 130.36 1afo n GLU 72 Ca 0.43 0.00 0.28 0.00 -0.01 0.00 0.00 57.16 57.86 1afo n GLU 72 Cb 0.45 -0.55 0.64 0.00 -1.01 0.00 0.00 31.44 30.98 1afo n GLU 72 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 1afo h ILE 73 N 0.00 0.50 -0.53 -3.67 3.07 -1.96 0.41 117.51 115.33 1afo h ILE 73 Ca 0.00 -0.06 0.09 0.00 1.55 0.00 0.00 64.86 66.44 1afo h ILE 73 Cb 0.00 0.32 -0.07 0.00 -0.27 0.00 0.00 36.82 36.80 1afo h ILE 73 CO 0.00 0.03 0.12 0.71 -1.05 0.00 0.00 178.15 177.96 1afo h THR 74 N 0.17 0.71 0.05 0.16 1.35 -1.91 1.09 112.91 114.53 1afo h THR 74 Ca 0.53 -0.09 -0.09 0.00 -0.55 0.00 0.00 66.41 66.21 1afo h THR 74 Cb 1.79 0.42 0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1afo h THR 74 CO -0.12 0.05 -0.39 0.25 -0.25 0.00 0.00 175.52 175.06 1afo h LEU 75 N 0.27 0.25 -0.28 3.87 6.46 0.15 -2.27 115.31 123.75 1afo h LEU 75 Ca 0.27 -0.92 0.03 0.00 -0.12 0.00 0.00 57.88 57.14 1afo h LEU 75 Cb 0.37 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1afo h LEU 75 CO -0.34 1.15 0.09 0.40 -0.62 0.00 0.00 178.44 179.12 1afo h ILE 76 N -0.61 0.91 -0.33 4.05 2.04 -0.65 0.47 117.51 123.39 1afo h ILE 76 Ca -0.06 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1afo h ILE 76 Cb 1.25 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1afo h ILE 76 CO 0.07 0.04 0.15 -0.29 0.00 0.00 0.00 178.15 178.12 1afo h ILE 77 N 0.20 0.97 -0.42 -0.67 2.10 0.11 -1.13 117.51 118.68 1afo h ILE 77 Ca 0.13 -0.11 0.04 0.00 1.08 0.00 0.00 64.86 66.00 1afo h ILE 77 Cb 0.10 0.62 -0.04 0.00 -1.09 0.00 0.00 36.82 36.42 1afo h ILE 77 CO -0.14 0.06 0.19 -0.26 -1.08 0.00 0.00 178.15 176.91 1afo h PHE 78 N 0.32 0.34 -0.41 2.19 -1.00 -0.71 -1.51 116.94 116.16 1afo h PHE 78 Ca 0.14 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.98 1afo h PHE 78 Cb 0.07 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.49 1afo h PHE 78 CO -0.11 0.16 0.16 0.78 -1.61 0.00 0.00 178.31 177.70 1afo h GLY 79 N 0.38 0.54 0.69 -1.45 0.00 0.54 0.29 103.07 104.07 1afo h GLY 79 Ca 0.19 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1afo h GLY 79 CO -0.15 0.05 0.13 -2.08 0.00 0.00 0.00 176.54 174.48 1afo h VAL 80 N 0.34 0.90 -0.40 4.60 2.07 -0.63 0.28 116.25 123.41 1afo h VAL 80 Ca 0.19 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1afo h VAL 80 Cb 0.15 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1afo h VAL 80 CO -0.17 0.05 0.18 0.24 0.02 0.00 0.00 177.57 177.89 1afo h MET 81 N 0.28 0.36 -0.51 1.57 2.07 -0.43 -1.88 114.93 116.38 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 0.14 -0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 29.74 1afo h MET 81 CO -0.17 0.24 0.24 0.00 1.07 0.00 0.00 176.91 178.29 1afo h ALA 82 N 1.22 0.65 -0.43 6.32 0.00 0.80 -1.53 119.26 126.29 1afo h ALA 82 Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1afo h ALA 82 Cb 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1afo h ALA 82 CO -0.14 -0.12 0.16 0.78 0.00 0.00 0.00 179.25 179.94 1afo h GLY 83 N 0.47 0.57 0.70 0.00 0.00 0.26 0.13 103.07 105.20 1afo h GLY 83 Ca 0.23 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.51 1afo h GLY 83 CO -0.18 0.04 0.15 -2.08 0.00 0.00 0.00 176.54 174.46 1afo h VAL 84 N 0.34 0.91 -0.42 4.60 2.07 -0.72 -0.82 116.25 122.20 1afo h VAL 84 Ca 0.20 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1afo h VAL 84 Cb 0.18 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1afo h VAL 84 CO -0.19 0.06 0.18 0.40 0.02 0.00 0.00 177.57 178.04 1afo h ILE 85 N 0.31 0.93 -0.44 4.57 2.04 -0.30 -1.79 117.51 122.82 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 0.14 0.52 -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 0.00 178.15 179.47 1afo h GLY 86 N 0.37 0.60 0.67 5.37 0.00 0.01 -0.76 103.07 109.32 1afo h GLY 86 Ca 0.19 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 86 CO -0.16 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 -0.41 4.70 2.02 -0.56 0.19 112.91 120.12 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 0.16 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1afo h THR 87 CO -0.18 0.06 0.18 0.40 0.37 0.00 0.00 175.52 176.35 1afo h ILE 88 N 0.35 0.92 -0.44 3.11 2.04 -0.55 -1.08 117.51 121.86 1afo h ILE 88 Ca 0.19 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 88 Cb 0.16 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 88 CO -0.18 0.07 0.19 0.25 0.00 0.00 0.00 178.15 178.48 1afo h LEU 89 N 0.36 0.25 -0.42 1.44 5.85 -0.22 -1.32 115.31 121.25 1afo h LEU 89 Ca 0.18 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1afo h LEU 89 Cb 0.13 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1afo h LEU 89 CO -0.16 0.18 0.17 -0.07 -0.34 0.00 0.00 178.44 178.22 1afo h LEU 90 N 0.39 0.20 -0.40 2.25 4.07 -0.17 -0.44 115.31 121.21 1afo h LEU 90 Ca 0.20 0.04 0.04 0.00 0.08 0.00 0.00 57.88 58.24 1afo h LEU 90 Cb 0.14 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1afo h LEU 90 CO -0.17 0.15 0.16 0.40 -1.08 0.00 0.00 178.44 177.91 1afo h ILE 91 N 0.34 0.91 -0.35 1.22 2.04 -0.49 0.24 117.51 121.42 1afo h ILE 91 Ca 0.19 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 91 Cb 0.16 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1afo h ILE 91 CO -0.18 0.06 0.13 0.77 0.00 0.00 0.00 178.15 178.93 1afo h SER 92 N 0.33 0.15 -0.34 1.72 4.64 -0.48 0.91 113.55 120.48 1afo h SER 92 Ca 0.18 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1afo h SER 92 Cb 0.14 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1afo h SER 92 CO -0.17 0.12 0.15 0.22 -0.87 0.00 0.00 176.83 176.28 1afo h TYR 93 N 0.28 0.27 -0.36 4.77 5.03 -0.15 -1.14 116.97 125.67 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 0.12 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.30 1afo h TYR 93 CO -0.14 0.13 0.15 0.78 -1.32 0.00 0.00 178.16 177.77 1afo h GLY 94 N 0.31 0.48 0.73 1.82 0.00 0.32 -0.32 103.07 106.41 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 0.17 1.19 0.00 0.00 0.00 176.54 177.83 1afo h ILE 95 N 0.32 0.93 -0.40 2.60 2.10 -0.33 -1.01 117.51 121.72 1afo h ILE 95 Ca 0.16 -0.12 0.04 0.00 1.08 0.00 0.00 64.86 66.02 1afo h ILE 95 Cb 0.11 0.55 -0.04 0.00 -1.09 0.00 0.00 36.82 36.35 1afo h ILE 95 CO -0.14 0.06 0.17 0.03 -1.08 0.00 0.00 178.15 177.19 1afo h ARG 96 N 0.35 0.34 -0.42 2.19 3.08 -0.57 -1.77 114.38 117.57 1afo h ARG 96 Ca 0.17 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1afo h ARG 96 Cb 0.12 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1afo h ARG 96 CO -0.15 0.22 0.18 -0.09 -1.07 0.00 0.00 179.97 179.06 1afo h ARG 97 N 0.35 0.36 -0.44 0.04 2.43 -0.29 1.04 114.38 117.86 1afo h ARG 97 Ca 0.18 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1afo h ARG 97 Cb 0.13 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1afo h ARG 97 CO -0.16 0.23 0.18 1.37 -1.51 0.00 0.00 179.97 180.09 1afo h LEU 98 N 0.37 0.23 -0.20 3.80 8.10 -0.62 0.43 115.31 127.43 1afo h LEU 98 Ca 0.19 0.04 0.00 0.00 0.11 0.00 0.00 57.88 58.21 1afo h LEU 98 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 1afo h LEU 98 CO -0.16 0.17 0.00 2.30 -4.11 0.00 0.00 178.44 176.64 1afo n ILE 99 N -4.96 0.63 -4.22 0.15 -5.35 -0.72 -4.72 119.36 100.17 1afo n ILE 99 Ca 0.03 -0.12 -0.35 0.00 -0.27 0.00 0.00 62.75 62.04 1afo n ILE 99 Cb 0.14 -0.75 -0.09 0.00 -1.74 0.00 0.00 39.64 37.20 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 -3.15 3.32 0.00 6.28 2.20 0.35 -5.07 119.74 123.67 1afo s LYS 100 Ca 0.09 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1afo s LYS 100 Cb 0.12 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1afo s LYS 100 CO 0.53 0.59 0.00 1.63 -0.36 0.00 0.00 175.35 177.74