#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 -3.43 -0.05 1.45 7.27 -1.26 -4.84 117.38 116.52 1afo n GLN 63 Ca 0.00 2.81 -0.03 0.00 0.07 0.00 0.00 57.00 59.85 1afo n GLN 63 Cb 0.00 -3.96 -0.01 0.00 2.41 0.00 0.00 30.24 28.68 1afo n GLN 63 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1afo h LEU 64 N -1.34 0.00 -0.31 1.69 4.07 -2.10 -3.51 115.31 113.81 1afo h LEU 64 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1afo h LEU 64 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1afo h LEU 64 CO 0.07 0.48 -0.31 0.00 -1.08 0.00 0.00 178.44 177.60 1afo n ALA 65 N -3.09 -1.38 0.04 1.53 0.00 -1.26 -5.07 120.51 111.29 1afo n ALA 65 Ca -0.04 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1afo n ALA 65 Cb 0.15 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1afo n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1afo n HIS 66 N -1.33 -1.56 -2.19 0.00 8.25 -1.26 -5.04 115.22 112.09 1afo n HIS 66 Ca 0.00 0.22 -0.03 0.00 -0.26 0.00 0.00 57.72 57.65 1afo n HIS 66 Cb 0.06 0.85 0.02 0.00 1.12 0.00 0.00 29.99 32.04 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 -2.74 -0.64 0.00 4.41 -0.00 -1.26 -5.02 115.22 109.97 1afo n HIS 67 Ca 0.00 -0.70 0.00 0.00 0.46 0.00 0.00 57.72 57.48 1afo n HIS 67 Cb 0.00 0.79 0.00 0.00 -0.12 0.00 0.00 29.99 30.66 1afo n HIS 67 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1afo n PHE 68 N -0.48 0.00 -1.78 1.57 3.01 -1.26 -4.82 117.46 113.70 1afo n PHE 68 Ca -0.15 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.91 1afo n PHE 68 Cb 0.64 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.13 1afo n PHE 68 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1afo s SER 69 N 0.00 5.72 0.00 4.37 0.01 -1.26 -4.95 113.70 117.59 1afo s SER 69 Ca 0.00 2.90 0.00 0.00 1.31 0.00 0.00 55.95 60.16 1afo s SER 69 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1afo s SER 69 CO 0.00 -1.28 0.00 -1.84 0.41 0.00 0.00 173.24 170.53 1afo n GLU 70 N -0.39 0.00 -0.85 12.44 0.28 -1.26 -4.99 120.64 125.87 1afo n GLU 70 Ca 0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.74 1afo n GLU 70 Cb 0.42 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.44 1afo n GLU 70 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1afo n PRO 71 N 0.00 -0.21 0.00 3.44 -0.02 -1.26 -4.79 135.00 132.16 1afo n PRO 71 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1afo n PRO 71 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1afo n PRO 71 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1afo n GLU 72 N -3.34 0.00 -0.34 -0.52 2.13 -1.26 -0.91 120.64 116.40 1afo n GLU 72 Ca 0.11 0.00 0.33 0.00 0.66 0.00 0.00 57.16 58.26 1afo n GLU 72 Cb 0.52 -0.54 0.59 0.00 0.27 0.00 0.00 31.44 32.28 1afo n GLU 72 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1afo n ILE 73 N -0.16 -0.38 -0.09 6.31 0.13 -1.26 0.15 119.36 124.06 1afo n ILE 73 Ca 0.00 1.94 -0.09 0.00 -1.10 0.00 0.00 62.75 63.51 1afo n ILE 73 Cb 0.00 -3.17 -0.01 0.00 -0.84 0.00 0.00 39.64 35.62 1afo n ILE 73 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 1afo h THR 74 N 0.00 1.08 -0.14 9.51 2.02 -1.94 0.12 112.91 123.56 1afo h THR 74 Ca 0.84 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.84 1afo h THR 74 Cb 2.30 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1afo h THR 74 CO -0.70 0.08 -0.05 0.25 0.37 0.00 0.00 175.52 175.47 1afo h LEU 75 N 0.42 0.28 -0.33 2.58 6.46 0.33 -0.68 115.31 124.37 1afo h LEU 75 Ca 0.11 -0.39 0.04 0.00 -0.12 0.00 0.00 57.88 57.52 1afo h LEU 75 Cb -0.05 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 1afo h LEU 75 CO -0.03 0.61 0.12 0.40 -0.62 0.00 0.00 178.44 178.92 1afo h ILE 76 N -0.05 0.92 -0.29 4.05 2.04 -0.97 0.26 117.51 123.47 1afo h ILE 76 Ca 0.03 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1afo h ILE 76 Cb 0.50 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1afo h ILE 76 CO 0.02 0.05 0.13 0.40 0.00 0.00 0.00 178.15 178.74 1afo h ILE 77 N 0.26 0.96 -0.38 -0.67 2.04 -0.70 -1.36 117.51 117.66 1afo h ILE 77 Ca 0.15 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 77 Cb 0.11 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1afo h ILE 77 CO -0.15 0.05 0.17 0.15 0.00 0.00 0.00 178.15 178.38 1afo h PHE 78 N 0.27 0.32 -0.40 1.37 3.57 -0.34 -1.13 116.94 120.60 1afo h PHE 78 Ca 0.12 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1afo h PHE 78 Cb 0.06 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1afo h PHE 78 CO -0.11 0.16 0.16 0.78 -2.23 0.00 0.00 178.31 177.06 1afo h GLY 79 N 0.36 0.52 0.72 2.40 0.00 0.05 0.30 103.07 107.42 1afo h GLY 79 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 79 CO -0.13 0.04 0.11 -2.08 0.00 0.00 0.00 176.54 174.48 1afo h VAL 80 N 0.33 0.91 -0.36 4.60 2.07 -0.70 0.16 116.25 123.25 1afo h VAL 80 Ca 0.18 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1afo h VAL 80 Cb 0.15 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1afo h VAL 80 CO -0.17 0.05 0.16 0.24 0.02 0.00 0.00 177.57 177.87 1afo h MET 81 N 0.25 0.33 -0.45 1.57 2.07 -0.36 -1.93 114.93 116.41 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 0.12 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 29.73 1afo h MET 81 CO -0.15 0.22 0.21 0.00 1.07 0.00 0.00 176.91 178.25 1afo h ALA 82 N 1.21 0.56 -0.39 6.32 0.00 0.55 -1.06 119.26 126.45 1afo h ALA 82 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 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 -0.15 0.15 0.78 0.00 0.00 0.00 179.25 179.90 1afo h GLY 83 N 0.42 0.51 0.73 0.00 0.00 -0.12 0.12 103.07 104.73 1afo h GLY 83 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1afo h GLY 83 CO -0.16 0.04 0.12 -2.08 0.00 0.00 0.00 176.54 174.47 1afo h VAL 84 N 0.32 0.92 -0.37 4.60 2.07 -0.76 -1.10 116.25 121.92 1afo h VAL 84 Ca 0.18 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1afo h VAL 84 Cb 0.14 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1afo h VAL 84 CO -0.17 0.05 0.16 0.40 0.02 0.00 0.00 177.57 178.04 1afo h ILE 85 N 0.27 0.94 -0.41 4.57 2.04 -0.35 -1.72 117.51 122.86 1afo h ILE 85 Ca 0.15 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1afo h ILE 85 Cb 0.11 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 85 CO -0.15 0.06 0.16 1.23 0.00 0.00 0.00 178.15 179.46 1afo h GLY 86 N 0.34 0.53 0.70 5.37 0.00 -0.17 -0.72 103.07 109.12 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 -0.14 0.05 0.16 -0.84 0.00 0.00 0.00 176.54 175.77 1afo h THR 87 N 0.34 0.91 -0.39 4.70 2.02 -0.72 -0.14 112.91 119.63 1afo h THR 87 Ca 0.18 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1afo h THR 87 Cb 0.14 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1afo h THR 87 CO -0.17 0.06 0.16 0.40 0.37 0.00 0.00 175.52 176.34 1afo h ILE 88 N 0.34 0.92 -0.41 3.11 2.04 -0.62 -0.96 117.51 121.92 1afo h ILE 88 Ca 0.18 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 88 Cb 0.14 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1afo h ILE 88 CO -0.16 0.06 0.18 0.17 0.00 0.00 0.00 178.15 178.40 1afo h LEU 89 N 0.33 0.23 -0.40 1.44 8.10 -0.34 -1.20 115.31 123.48 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 0.13 -0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.30 1afo h LEU 89 CO -0.16 0.17 0.16 -0.07 -4.11 0.00 0.00 178.44 174.44 1afo h LEU 90 N 0.36 0.20 -0.40 0.17 3.38 -0.30 -0.57 115.31 118.15 1afo h LEU 90 Ca 0.18 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1afo h LEU 90 Cb 0.13 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1afo h LEU 90 CO -0.16 0.15 0.17 0.40 0.09 0.00 0.00 178.44 179.10 1afo h ILE 91 N 0.34 0.93 -0.37 1.22 2.04 -0.55 0.24 117.51 121.35 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 0.13 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 91 CO -0.16 0.06 0.14 0.28 0.00 0.00 0.00 178.15 178.47 1afo h SER 92 N 0.35 0.17 -0.42 1.72 0.02 -0.54 0.15 113.55 115.00 1afo h SER 92 Ca 0.18 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1afo h SER 92 Cb 0.12 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1afo h SER 92 CO -0.15 0.13 0.19 0.22 -1.14 0.00 0.00 176.83 176.08 1afo h TYR 93 N 0.30 0.34 -0.48 3.45 3.20 -0.14 -0.91 116.97 122.74 1afo h TYR 93 Ca 0.17 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1afo h TYR 93 Cb 0.13 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 1afo h TYR 93 CO -0.14 0.16 0.22 0.78 -1.64 0.00 0.00 178.16 177.54 1afo h GLY 94 N 0.38 0.66 0.64 1.82 0.00 0.47 -1.08 103.07 105.95 1afo h GLY 94 Ca 0.19 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.43 1afo h GLY 94 CO -0.15 0.07 0.20 -2.22 0.00 0.00 0.00 176.54 174.43 1afo h ILE 95 N 0.43 0.89 -0.42 2.60 2.04 0.25 -0.13 117.51 123.17 1afo h ILE 95 Ca 0.22 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1afo h ILE 95 Cb 0.17 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1afo h ILE 95 CO -0.18 0.07 0.17 0.03 0.00 0.00 0.00 178.15 178.23 1afo h ARG 96 N 0.39 0.33 -0.42 2.37 2.47 -0.15 -1.16 114.38 118.21 1afo h ARG 96 Ca 0.22 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.96 1afo h ARG 96 Cb 0.19 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.39 1afo h ARG 96 CO -0.20 0.22 0.19 0.00 0.56 0.00 0.00 179.97 180.74 1afo h ARG 97 N 0.34 0.37 -0.42 0.04 3.08 -0.19 0.92 114.38 118.53 1afo h ARG 97 Ca 0.19 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.26 1afo h ARG 97 Cb 0.16 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1afo h ARG 97 CO -0.18 0.24 0.17 -0.07 -1.07 0.00 0.00 179.97 179.07 1afo h LEU 98 N 0.38 0.21 -0.72 3.04 3.38 -0.25 -1.41 115.31 119.95 1afo h LEU 98 Ca 0.19 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1afo h LEU 98 Cb 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1afo h LEU 98 CO -0.16 0.16 -0.63 0.16 0.09 0.00 0.00 178.44 178.07 1afo h ILE 99 N 0.35 1.44 -3.91 1.22 3.07 -0.61 -3.44 117.51 115.64 1afo h ILE 99 Ca 0.19 -2.12 -0.47 0.00 1.55 0.00 0.00 64.86 64.01 1afo h ILE 99 Cb 0.15 2.13 -0.02 0.00 -0.27 0.00 0.00 36.82 38.81 1afo h ILE 99 CO -0.17 0.61 0.23 -0.75 -1.05 0.00 0.00 178.15 177.02 1afo s LYS 100 N -3.62 4.07 0.00 0.16 2.47 0.31 -5.09 119.74 118.05 1afo s LYS 100 Ca -0.02 0.87 0.00 0.00 -1.56 0.00 0.00 55.97 55.26 1afo s LYS 100 Cb 0.12 -2.29 0.00 0.00 -1.46 0.00 0.00 37.83 34.20 1afo s LYS 100 CO 0.77 0.02 0.00 1.63 0.16 0.00 0.00 175.35 177.93