#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 0.71 -0.40 5.55 1.03 -1.26 -5.12 119.66 120.18 1afo s GLN 63 Ca 0.00 -1.10 0.01 0.00 0.04 0.00 0.00 55.36 54.31 1afo s GLN 63 Cb 0.00 0.27 0.12 0.00 0.03 0.00 0.00 33.01 33.43 1afo s GLN 63 CO 0.00 -0.18 0.19 -0.51 -2.54 0.00 0.00 175.29 172.25 1afo s LEU 64 N -2.89 2.59 0.00 2.60 1.43 -1.26 -4.90 118.68 116.25 1afo s LEU 64 Ca 0.06 -2.31 0.09 0.00 -1.03 0.00 0.00 54.13 50.94 1afo s LEU 64 Cb 0.07 -0.99 0.15 0.00 0.03 0.00 0.00 46.19 45.45 1afo s LEU 64 CO -0.10 -0.32 1.00 0.00 0.23 0.00 0.00 176.35 177.16 1afo n ALA 65 N 3.96 2.30 -3.19 4.21 0.00 -1.26 -5.05 120.51 121.48 1afo n ALA 65 Ca 0.06 -1.34 -0.19 0.00 0.00 0.00 0.00 53.44 51.97 1afo n ALA 65 Cb 0.37 -0.51 0.02 0.00 0.00 0.00 0.00 19.45 19.33 1afo n ALA 65 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1afo n HIS 66 N 0.18 -3.03 0.13 0.00 -0.00 -1.26 -4.91 115.22 106.33 1afo n HIS 66 Ca -0.01 1.23 0.00 0.00 0.46 0.00 0.00 57.72 59.40 1afo n HIS 66 Cb 0.84 -3.18 0.00 0.00 -0.12 0.00 0.00 29.99 27.53 1afo n HIS 66 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1afo n HIS 67 N -0.66 -3.63 0.00 1.57 8.25 -1.26 -5.03 115.22 114.46 1afo n HIS 67 Ca -0.01 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 1afo n HIS 67 Cb 0.56 2.38 0.00 0.00 1.12 0.00 0.00 29.99 34.05 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 -3.03 0.00 -2.36 4.41 3.72 -1.26 -4.46 117.46 114.48 1afo n PHE 68 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 1afo n PHE 68 Cb 0.00 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1afo n PHE 68 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1afo n SER 69 N 1.68 -2.17 -2.64 4.37 7.64 -1.26 -4.58 113.62 116.66 1afo n SER 69 Ca 0.00 -0.12 -0.04 0.00 1.01 0.00 0.00 58.87 59.72 1afo n SER 69 Cb 0.00 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 61.78 1afo n SER 69 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1afo n GLU 70 N -1.56 -3.95 -1.20 1.43 1.02 -1.26 -4.88 120.64 110.25 1afo n GLU 70 Ca -0.04 3.00 -0.34 0.00 -0.02 0.00 0.00 57.16 59.75 1afo n GLU 70 Cb 0.53 -4.10 0.11 0.00 -0.02 0.00 0.00 31.44 27.96 1afo n GLU 70 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1afo n PRO 71 N 1.91 0.30 0.00 3.49 -0.02 -1.26 -4.79 135.00 134.63 1afo n PRO 71 Ca -0.29 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1afo n PRO 71 Cb 0.44 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 -2.63 0.00 -0.33 -0.52 1.02 -1.26 -1.64 120.64 115.28 1afo n GLU 72 Ca 0.13 0.48 0.16 0.00 -0.02 0.00 0.00 57.16 57.91 1afo n GLU 72 Cb 0.50 -1.46 0.32 0.00 -0.02 0.00 0.00 31.44 30.78 1afo n GLU 72 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1afo n ILE 73 N -1.92 -0.40 -0.10 -3.67 0.13 -1.26 0.94 119.36 113.08 1afo n ILE 73 Ca 0.00 2.10 -0.08 0.00 -1.10 0.00 0.00 62.75 63.67 1afo n ILE 73 Cb 0.00 -3.10 -0.00 0.00 -0.84 0.00 0.00 39.64 35.69 1afo n ILE 73 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 1afo h THR 74 N 0.00 1.04 -0.13 9.51 1.35 -1.90 0.32 112.91 123.10 1afo h THR 74 Ca 0.61 -0.14 -0.04 0.00 -0.55 0.00 0.00 66.41 66.29 1afo h THR 74 Cb 1.31 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1afo h THR 74 CO -0.89 0.07 -0.09 0.25 -0.25 0.00 0.00 175.52 174.61 1afo h LEU 75 N 0.40 0.30 -0.37 3.87 6.46 0.15 -0.79 115.31 125.34 1afo h LEU 75 Ca 0.13 -0.45 0.04 0.00 -0.12 0.00 0.00 57.88 57.48 1afo h LEU 75 Cb -0.00 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.81 1afo h LEU 75 CO -0.06 0.69 0.14 0.40 -0.62 0.00 0.00 178.44 178.99 1afo h ILE 76 N -0.08 0.90 -0.34 4.05 2.04 -0.07 0.34 117.51 124.34 1afo h ILE 76 Ca 0.02 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1afo h ILE 76 Cb 0.59 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1afo h ILE 76 CO 0.02 0.05 0.15 0.40 0.00 0.00 0.00 178.15 178.77 1afo h ILE 77 N 0.30 0.94 -0.37 -0.67 2.04 -0.31 -0.75 117.51 118.70 1afo h ILE 77 Ca 0.17 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 77 Cb 0.13 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1afo h ILE 77 CO -0.16 0.06 0.15 -0.26 0.00 0.00 0.00 178.15 177.93 1afo h PHE 78 N 0.31 0.28 -0.39 1.37 0.04 -0.01 -1.19 116.94 117.35 1afo h PHE 78 Ca 0.15 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.98 1afo h PHE 78 Cb 0.09 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 1afo h PHE 78 CO -0.12 0.13 0.16 0.78 -0.60 0.00 0.00 178.31 178.66 1afo h GLY 79 N 0.32 0.51 0.74 -1.45 0.00 0.25 -0.16 103.07 103.29 1afo h GLY 79 Ca 0.16 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1afo h GLY 79 CO -0.14 0.06 0.12 -2.08 0.00 0.00 0.00 176.54 174.49 1afo h VAL 80 N 0.34 0.92 -0.31 4.60 2.07 -0.52 0.29 116.25 123.64 1afo h VAL 80 Ca 0.17 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1afo h VAL 80 Cb 0.12 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1afo h VAL 80 CO -0.15 0.05 0.12 0.24 0.02 0.00 0.00 177.57 177.85 1afo h MET 81 N 0.26 0.26 -0.44 1.57 2.07 -0.66 -1.67 114.93 116.31 1afo h MET 81 Ca 0.14 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.80 1afo h MET 81 Cb 0.11 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 29.74 1afo h MET 81 CO -0.14 0.17 0.22 0.00 1.07 0.00 0.00 176.91 178.22 1afo h ALA 82 N 1.18 0.55 -0.39 6.32 0.00 -0.29 -2.10 119.26 124.54 1afo h ALA 82 Ca 0.13 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1afo h ALA 82 Cb 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1afo h ALA 82 CO -0.12 -0.14 0.15 0.78 0.00 0.00 0.00 179.25 179.92 1afo h GLY 83 N 0.44 0.51 0.72 0.00 0.00 0.18 0.34 103.07 105.25 1afo h GLY 83 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1afo h GLY 83 CO -0.14 0.04 0.10 -2.08 0.00 0.00 0.00 176.54 174.47 1afo h VAL 84 N 0.31 0.90 -0.31 4.60 2.07 -0.87 0.92 116.25 123.87 1afo h VAL 84 Ca 0.18 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1afo h VAL 84 Cb 0.14 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1afo h VAL 84 CO -0.17 0.04 0.12 0.40 0.02 0.00 0.00 177.57 177.98 1afo h ILE 85 N 0.24 0.93 -0.36 4.57 2.04 -0.73 -1.53 117.51 122.67 1afo h ILE 85 Ca 0.14 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 85 Cb 0.12 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1afo h ILE 85 CO -0.15 0.05 0.16 1.23 0.00 0.00 0.00 178.15 179.43 1afo h GLY 86 N 0.27 0.48 0.71 5.37 0.00 -0.27 -1.88 103.07 107.76 1afo h GLY 86 Ca 0.14 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.40 1afo h GLY 86 CO -0.13 0.07 0.15 -0.84 0.00 0.00 0.00 176.54 175.79 1afo h THR 87 N 0.33 0.92 -0.35 4.70 2.02 -0.36 -1.14 112.91 119.03 1afo h THR 87 Ca 0.16 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1afo h THR 87 Cb 0.10 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1afo h THR 87 CO -0.13 0.06 0.14 0.40 0.37 0.00 0.00 175.52 176.35 1afo h ILE 88 N 0.32 0.93 -0.31 3.11 2.04 -0.83 0.59 117.51 123.36 1afo h ILE 88 Ca 0.17 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 88 Cb 0.13 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1afo h ILE 88 CO -0.16 0.05 0.12 0.25 0.00 0.00 0.00 178.15 178.41 1afo h LEU 89 N 0.30 0.14 -0.34 1.44 5.85 -0.81 0.45 115.31 122.34 1afo h LEU 89 Ca 0.15 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1afo h LEU 89 Cb 0.11 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1afo h LEU 89 CO -0.14 0.12 0.14 0.25 -0.34 0.00 0.00 178.44 178.47 1afo h LEU 90 N 0.26 0.19 -0.39 2.25 6.46 -0.63 -1.74 115.31 121.71 1afo h LEU 90 Ca 0.14 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1afo h LEU 90 Cb 0.10 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 1afo h LEU 90 CO -0.13 0.15 0.17 0.40 -0.62 0.00 0.00 178.44 178.40 1afo h ILE 91 N 0.30 0.93 -0.35 4.05 2.04 -0.26 -0.79 117.51 123.44 1afo h ILE 91 Ca 0.15 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1afo h ILE 91 Cb 0.09 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1afo h ILE 91 CO -0.13 0.06 0.12 0.77 0.00 0.00 0.00 178.15 178.98 1afo h SER 92 N 0.35 0.12 -0.29 1.72 4.64 -0.38 0.19 113.55 119.90 1afo h SER 92 Ca 0.17 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.56 1afo h SER 92 Cb 0.12 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1afo h SER 92 CO -0.15 0.11 0.11 0.22 -0.87 0.00 0.00 176.83 176.25 1afo h TYR 93 N 0.27 0.20 -0.31 4.77 3.20 -0.75 -0.14 116.97 124.20 1afo h TYR 93 Ca 0.16 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1afo h TYR 93 Cb 0.14 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1afo h TYR 93 CO -0.15 0.10 0.13 0.78 -1.64 0.00 0.00 178.16 177.38 1afo h GLY 94 N 0.25 0.41 0.74 1.82 0.00 -0.38 -1.02 103.07 104.89 1afo h GLY 94 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1afo h GLY 94 CO -0.12 0.06 0.16 -2.22 0.00 0.00 0.00 176.54 174.42 1afo h ILE 95 N 0.29 0.93 -0.39 2.60 5.03 -0.15 -1.33 117.51 124.48 1afo h ILE 95 Ca 0.14 -0.11 0.04 0.00 -0.12 0.00 0.00 64.86 64.80 1afo h ILE 95 Cb 0.08 0.57 -0.04 0.00 -3.03 0.00 0.00 36.82 34.40 1afo h ILE 95 CO -0.12 0.06 0.16 0.03 -0.68 0.00 0.00 178.15 177.60 1afo h ARG 96 N 0.33 0.32 -0.40 2.37 3.08 -0.50 -1.63 114.38 117.95 1afo h ARG 96 Ca 0.17 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1afo h ARG 96 Cb 0.11 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1afo h ARG 96 CO -0.15 0.21 0.18 0.00 -1.07 0.00 0.00 179.97 179.14 1afo h ARG 97 N 0.33 0.35 -0.42 0.04 3.08 -0.57 2.08 114.38 119.28 1afo h ARG 97 Ca 0.18 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1afo h ARG 97 Cb 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1afo h ARG 97 CO -0.16 0.23 0.18 1.25 -1.07 0.00 0.00 179.97 180.39 1afo h LEU 98 N 0.36 0.22 -0.25 3.04 5.85 -0.68 -2.21 115.31 121.65 1afo h LEU 98 Ca 0.18 0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.72 1afo h LEU 98 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1afo h LEU 98 CO -0.15 0.17 -0.86 0.16 -0.34 0.00 0.00 178.44 177.41 1afo h ILE 99 N 0.36 1.38 -3.32 4.05 3.07 -0.65 -3.44 117.51 118.96 1afo h ILE 99 Ca 0.19 -2.30 -0.53 0.00 1.55 0.00 0.00 64.86 63.77 1afo h ILE 99 Cb 0.14 2.28 0.07 0.00 -0.27 0.00 0.00 36.82 39.03 1afo h ILE 99 CO -0.16 0.69 0.83 -0.75 -1.05 0.00 0.00 178.15 177.70 1afo s LYS 100 N -3.43 4.19 0.00 0.16 2.20 0.70 -5.09 119.74 118.48 1afo s LYS 100 Ca -0.06 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 1afo s LYS 100 Cb 0.09 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1afo s LYS 100 CO 0.86 -0.53 0.00 1.17 -0.36 0.00 0.00 175.35 176.49