#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 0.00 -0.17 5.55 10.64 -1.26 -5.02 117.38 127.12 1afo n GLN 63 Ca 0.00 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.22 1afo n GLN 63 Cb 0.00 0.00 0.13 0.00 -0.86 0.00 0.00 30.24 29.51 1afo n GLN 63 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1afo n LEU 64 N 0.00 2.82 -0.01 2.61 4.32 -1.26 -4.50 117.00 120.98 1afo n LEU 64 Ca 0.00 -2.19 0.15 0.00 -0.02 0.00 0.00 56.01 53.94 1afo n LEU 64 Cb 0.00 -0.23 0.72 0.00 -1.62 0.00 0.00 43.42 42.29 1afo n LEU 64 CO 0.00 0.67 1.00 0.00 -1.22 0.00 0.00 177.39 177.84 1afo n ALA 65 N 0.05 2.48 -0.89 -1.18 0.00 -1.26 -4.89 120.51 114.81 1afo n ALA 65 Ca 0.10 -0.14 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 1afo n ALA 65 Cb 0.46 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.31 -2.08 0.00 0.00 8.25 -1.26 -4.95 115.22 113.86 1afo n HIS 66 Ca 0.13 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1afo n HIS 66 Cb 0.26 -1.47 0.00 0.00 1.12 0.00 0.00 29.99 29.90 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 -3.56 0.00 -0.74 4.41 8.25 -1.26 -4.97 115.22 117.34 1afo n HIS 67 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1afo n HIS 67 Cb 0.67 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.09 0.00 -1.69 4.41 3.72 -1.26 -5.00 117.46 116.56 1afo n PHE 68 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1afo n PHE 68 Cb 0.00 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.66 1afo n PHE 68 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1afo n SER 69 N 0.00 3.81 -3.77 4.37 3.41 -1.26 -4.91 113.62 115.27 1afo n SER 69 Ca 0.00 -3.80 -0.30 0.00 -0.26 0.00 0.00 58.87 54.51 1afo n SER 69 Cb 0.00 -0.54 -0.15 0.00 -0.26 0.00 0.00 64.21 63.26 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 -3.45 0.82 0.56 4.33 2.02 -1.26 -4.97 118.70 116.76 1afo s GLU 70 Ca 0.48 -1.14 0.25 0.00 0.02 0.00 0.00 54.97 54.58 1afo s GLU 70 Cb 0.41 -2.14 1.59 0.00 0.10 0.00 0.00 34.13 34.09 1afo s GLU 70 CO -0.00 -0.96 2.18 -1.35 0.02 0.00 0.00 175.26 175.15 1afo h PRO 71 N 8.04 0.00 0.81 0.39 0.11 -1.98 -2.17 132.00 137.19 1afo h PRO 71 Ca -0.13 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 1afo h PRO 71 Cb 1.02 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1afo h PRO 71 CO 0.47 0.00 -0.39 1.05 -0.21 0.00 0.00 178.00 178.92 1afo h GLU 72 N 0.00 -1.05 0.00 1.05 4.11 -2.00 -0.38 114.58 116.31 1afo h GLU 72 Ca 0.03 0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1afo h GLU 72 Cb 0.14 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1afo h GLU 72 CO -0.00 -0.70 -0.04 0.97 0.07 0.00 0.00 179.01 179.31 1afo h ILE 73 N -1.20 0.71 -0.15 -1.06 6.09 -1.94 -0.91 117.51 119.04 1afo h ILE 73 Ca -0.11 -0.14 -0.04 0.00 -1.37 0.00 0.00 64.86 63.20 1afo h ILE 73 Cb 0.84 1.08 -0.00 0.00 0.47 0.00 0.00 36.82 39.21 1afo h ILE 73 CO 0.18 0.03 -0.06 0.71 -3.07 0.00 0.00 178.15 175.94 1afo h THR 74 N 0.00 1.31 -0.11 2.19 1.35 -1.06 0.30 112.91 116.89 1afo h THR 74 Ca -0.00 -1.08 -0.05 0.00 -0.55 0.00 0.00 66.41 64.73 1afo h THR 74 Cb 0.08 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1afo h THR 74 CO 0.00 0.32 -0.13 0.25 -0.25 0.00 0.00 175.52 175.71 1afo h LEU 75 N -0.01 0.30 -0.36 3.87 6.46 -0.48 -0.11 115.31 124.98 1afo h LEU 75 Ca 0.04 -0.50 0.04 0.00 -0.12 0.00 0.00 57.88 57.33 1afo h LEU 75 Cb 0.52 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 1afo h LEU 75 CO 0.02 0.74 0.13 0.40 -0.62 0.00 0.00 178.44 179.11 1afo h ILE 76 N -0.13 0.90 -0.37 4.05 2.04 -1.22 0.29 117.51 123.07 1afo h ILE 76 Ca 0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1afo h ILE 76 Cb 0.67 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1afo h ILE 76 CO 0.03 0.05 0.16 0.40 0.00 0.00 0.00 178.15 178.79 1afo h ILE 77 N 0.28 0.95 -0.39 -0.67 1.08 -0.88 -1.07 117.51 116.80 1afo h ILE 77 Ca 0.16 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1afo h ILE 77 Cb 0.13 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1afo h ILE 77 CO -0.16 0.06 0.16 -0.26 -0.69 0.00 0.00 178.15 177.26 1afo h PHE 78 N 0.34 0.30 -0.38 1.37 0.04 0.20 0.82 116.94 119.63 1afo h PHE 78 Ca 0.16 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.99 1afo h PHE 78 Cb 0.10 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 1afo h PHE 78 CO -0.12 0.14 0.15 0.78 -0.60 0.00 0.00 178.31 178.66 1afo h GLY 79 N 0.34 0.49 0.74 -1.45 0.00 0.16 0.36 103.07 103.71 1afo h GLY 79 Ca 0.17 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1afo h GLY 79 CO -0.15 0.04 0.14 -2.08 0.00 0.00 0.00 176.54 174.49 1afo h VAL 80 N 0.31 0.92 -0.39 4.60 2.07 -0.45 -0.28 116.25 123.04 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 0.14 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1afo h VAL 80 CO -0.16 0.05 0.18 0.24 0.02 0.00 0.00 177.57 177.90 1afo h MET 81 N 0.30 0.35 -0.44 1.57 2.07 0.15 -1.79 114.93 117.15 1afo h MET 81 Ca 0.16 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.81 1afo h MET 81 Cb 0.11 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.72 1afo h MET 81 CO -0.15 0.23 0.19 0.00 1.07 0.00 0.00 176.91 178.26 1afo h ALA 82 N 1.22 0.54 -0.36 6.32 0.00 0.54 0.10 119.26 127.62 1afo h ALA 82 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1afo h ALA 82 Cb 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1afo h ALA 82 CO -0.14 -0.18 0.14 0.78 0.00 0.00 0.00 179.25 179.85 1afo h GLY 83 N 0.39 0.47 0.76 0.00 0.00 -0.52 0.68 103.07 104.83 1afo h GLY 83 Ca 0.20 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1afo h GLY 83 CO -0.17 0.04 0.15 -2.08 0.00 0.00 0.00 176.54 174.49 1afo h VAL 84 N 0.29 0.94 -0.37 4.60 2.07 -0.54 -1.22 116.25 122.02 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 0.13 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1afo h VAL 84 CO -0.16 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 -0.38 4.57 2.04 0.09 -0.21 117.51 124.87 1afo h ILE 85 Ca 0.16 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 85 Cb 0.10 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 85 CO -0.14 0.06 0.15 1.23 0.00 0.00 0.00 178.15 179.45 1afo h GLY 86 N 0.32 0.50 0.74 5.37 0.00 -0.34 0.06 103.07 109.71 1afo h GLY 86 Ca 0.17 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 86 CO -0.15 0.05 0.17 -0.84 0.00 0.00 0.00 176.54 175.76 1afo h THR 87 N 0.32 0.93 -0.39 4.70 2.02 -0.61 -1.37 112.91 118.51 1afo h THR 87 Ca 0.17 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1afo h THR 87 Cb 0.13 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1afo h THR 87 CO -0.16 0.06 0.16 0.40 0.37 0.00 0.00 175.52 176.36 1afo h ILE 88 N 0.35 0.92 -0.38 3.11 2.04 -0.22 -0.88 117.51 122.45 1afo h ILE 88 Ca 0.17 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 88 Cb 0.12 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1afo h ILE 88 CO -0.15 0.06 0.15 0.17 0.00 0.00 0.00 178.15 178.38 1afo h LEU 89 N 0.34 0.17 -0.34 1.44 8.10 -0.35 0.16 115.31 124.84 1afo h LEU 89 Ca 0.18 0.04 0.03 0.00 0.11 0.00 0.00 57.88 58.24 1afo h LEU 89 Cb 0.13 0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.33 1afo h LEU 89 CO -0.16 0.14 0.13 -0.07 -4.11 0.00 0.00 178.44 174.37 1afo h LEU 90 N 0.31 0.16 -0.37 0.17 -0.00 -0.65 0.52 115.31 115.45 1afo h LEU 90 Ca 0.17 0.03 0.03 0.00 -0.00 0.00 0.00 57.88 58.12 1afo h LEU 90 Cb 0.13 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 40.77 1afo h LEU 90 CO -0.16 0.13 0.16 0.40 -0.00 0.00 0.00 178.44 178.97 1afo h ILE 91 N 0.29 0.94 -0.36 1.22 2.04 -0.37 0.10 117.51 121.37 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 0.11 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1afo h ILE 91 CO -0.14 0.06 0.13 0.28 0.00 0.00 0.00 178.15 178.48 1afo h SER 92 N 0.34 0.16 -0.31 1.72 0.02 0.05 0.22 113.55 115.74 1afo h SER 92 Ca 0.16 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1afo h SER 92 Cb 0.10 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1afo h SER 92 CO -0.14 0.13 0.11 0.22 -1.14 0.00 0.00 176.83 176.01 1afo h TYR 93 N 0.29 0.21 -0.31 3.45 5.03 -0.11 0.29 116.97 125.82 1afo h TYR 93 Ca 0.16 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.52 1afo h TYR 93 Cb 0.13 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 1afo h TYR 93 CO -0.14 0.09 0.13 0.78 -1.32 0.00 0.00 178.16 177.71 1afo h GLY 94 N 0.26 0.41 0.75 1.82 0.00 0.07 -0.67 103.07 105.69 1afo h GLY 94 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1afo h GLY 94 CO -0.14 0.06 0.16 1.19 0.00 0.00 0.00 176.54 177.82 1afo h ILE 95 N 0.28 0.94 -0.39 2.60 6.09 -0.00 -0.85 117.51 126.18 1afo h ILE 95 Ca 0.13 -0.12 0.04 0.00 -1.37 0.00 0.00 64.86 63.55 1afo h ILE 95 Cb 0.08 0.57 -0.04 0.00 0.47 0.00 0.00 36.82 37.90 1afo h ILE 95 CO -0.12 0.06 0.15 -0.09 -3.07 0.00 0.00 178.15 175.09 1afo h ARG 96 N 0.34 0.32 -0.43 2.19 2.43 -0.39 -1.29 114.38 117.55 1afo h ARG 96 Ca 0.17 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1afo h ARG 96 Cb 0.11 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1afo h ARG 96 CO -0.14 0.21 0.19 -0.09 -1.51 0.00 0.00 179.97 178.63 1afo h ARG 97 N 0.33 0.38 -0.43 0.20 2.43 -0.50 1.31 114.38 118.10 1afo h ARG 97 Ca 0.17 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1afo h ARG 97 Cb 0.13 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1afo h ARG 97 CO -0.16 0.25 0.18 -0.07 -1.51 0.00 0.00 179.97 178.65 1afo h LEU 98 N 0.39 0.22 -0.15 3.80 3.38 -0.44 -1.94 115.31 120.57 1afo h LEU 98 Ca 0.19 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1afo h LEU 98 Cb 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1afo h LEU 98 CO -0.15 0.16 -0.42 0.16 0.09 0.00 0.00 178.44 178.27 1afo h ILE 99 N 0.36 0.76 -3.77 1.22 3.07 -0.65 -3.44 117.51 115.05 1afo h ILE 99 Ca 0.19 -1.97 -0.39 0.00 1.55 0.00 0.00 64.86 64.24 1afo h ILE 99 Cb 0.16 2.30 -0.31 0.00 -0.27 0.00 0.00 36.82 38.70 1afo h ILE 99 CO -0.18 0.42 -0.77 -0.75 -1.05 0.00 0.00 178.15 175.82 1afo s LYS 100 N -3.08 0.76 0.00 0.16 2.20 0.45 -5.08 119.74 115.15 1afo s LYS 100 Ca 0.04 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1afo s LYS 100 Cb 0.08 -0.74 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 1afo s LYS 100 CO 0.73 0.07 0.00 1.63 -0.36 0.00 0.00 175.35 177.42