#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 -0.91 0.00 7.34 10.64 -1.26 -4.70 117.38 128.49 1afo n GLN 63 Ca 0.00 1.04 0.05 0.00 -1.83 0.00 0.00 57.00 56.26 1afo n GLN 63 Cb 0.00 -0.84 0.24 0.00 -0.86 0.00 0.00 30.24 28.78 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 2.07 0.00 -4.53 2.61 4.77 -1.26 -4.32 117.00 116.34 1afo n LEU 64 Ca 0.00 0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 1afo n LEU 64 Cb 0.16 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1afo n LEU 64 CO 0.00 -0.29 1.33 0.00 -1.33 0.00 0.00 177.39 177.10 1afo s ALA 65 N -2.90 2.90 0.10 -1.18 0.00 -1.26 -4.70 121.76 114.72 1afo s ALA 65 Ca 0.06 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.63 1afo s ALA 65 Cb 0.07 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.80 1afo s ALA 65 CO 0.19 -3.43 0.00 0.72 0.00 0.00 0.00 175.76 173.24 1afo n HIS 66 N 8.22 -2.34 0.00 0.00 8.25 -1.26 -5.03 115.22 123.05 1afo n HIS 66 Ca 0.30 1.40 0.00 0.00 -0.26 0.00 0.00 57.72 59.16 1afo n HIS 66 Cb 0.50 -2.79 0.00 0.00 1.12 0.00 0.00 29.99 28.83 1afo n HIS 66 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1afo n HIS 67 N 0.84 -0.03 -3.16 4.41 1.44 -1.26 -4.95 115.22 112.52 1afo n HIS 67 Ca 0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 1afo n HIS 67 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 1afo n HIS 67 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1afo s PHE 68 N 0.00 3.49 -0.57 -1.40 0.08 -1.26 -5.05 117.98 113.27 1afo s PHE 68 Ca 0.00 0.70 -0.05 0.00 0.12 0.00 0.00 56.93 57.70 1afo s PHE 68 Cb 0.00 -2.16 0.15 0.00 -0.57 0.00 0.00 43.02 40.44 1afo s PHE 68 CO 0.00 0.05 0.40 0.45 -0.10 0.00 0.00 175.22 176.02 1afo s SER 69 N -3.42 5.46 0.19 1.36 0.15 -1.26 -4.95 113.70 111.23 1afo s SER 69 Ca 0.45 -2.50 -0.19 0.00 0.70 0.00 0.00 55.95 54.41 1afo s SER 69 Cb -0.10 -1.91 0.15 0.00 -1.71 0.00 0.00 66.02 62.45 1afo s SER 69 CO 0.33 -0.48 1.59 -0.33 1.20 0.00 0.00 173.24 175.56 1afo h GLU 70 N 7.56 -0.13 -5.02 5.44 5.08 -2.07 -3.21 114.58 122.22 1afo h GLU 70 Ca -0.06 0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 57.93 1afo h GLU 70 Cb 1.00 0.03 0.10 0.00 0.50 0.00 0.00 28.75 30.38 1afo h GLU 70 CO 0.74 -0.09 0.91 -2.30 -1.00 0.00 0.00 179.01 177.27 1afo n PRO 71 N -5.44 0.03 0.00 2.33 -0.02 -1.26 -4.73 135.00 125.91 1afo n PRO 71 Ca 0.05 -1.16 0.00 0.00 -2.02 0.00 0.00 63.50 60.37 1afo n PRO 71 Cb 0.35 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 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 7.82 0.00 -0.56 -0.52 2.13 -1.22 -1.32 120.64 126.96 1afo n GLU 72 Ca 0.43 0.00 0.46 0.00 0.66 0.00 0.00 57.16 58.70 1afo n GLU 72 Cb 0.43 -0.81 0.77 0.00 0.27 0.00 0.00 31.44 32.10 1afo n GLU 72 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1afo h ILE 73 N 0.00 0.13 -0.22 6.31 6.09 -1.94 0.68 117.51 128.56 1afo h ILE 73 Ca 0.00 -0.01 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 1afo h ILE 73 Cb 0.00 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.38 1afo h ILE 73 CO 0.00 0.00 0.04 0.74 -3.07 0.00 0.00 178.15 175.86 1afo h THR 74 N 0.02 1.22 0.00 2.19 2.02 -1.91 -0.68 112.91 115.78 1afo h THR 74 Ca 0.83 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 1afo h THR 74 Cb 3.17 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 70.88 1afo h THR 74 CO -0.10 0.23 -0.28 0.25 0.37 0.00 0.00 175.52 175.99 1afo h LEU 75 N 0.16 0.24 -0.28 2.58 6.46 0.16 -2.07 115.31 122.58 1afo h LEU 75 Ca 0.07 -0.79 0.03 0.00 -0.12 0.00 0.00 57.88 57.07 1afo h LEU 75 Cb 0.31 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1afo h LEU 75 CO 0.00 1.00 0.09 0.40 -0.62 0.00 0.00 178.44 179.31 1afo h ILE 76 N -0.49 0.92 -0.31 4.05 2.04 -1.24 0.29 117.51 122.76 1afo h ILE 76 Ca -0.04 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1afo h ILE 76 Cb 1.05 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1afo h ILE 76 CO 0.06 0.04 0.14 -0.29 0.00 0.00 0.00 178.15 178.10 1afo h ILE 77 N 0.21 0.97 -0.38 -0.67 2.10 -1.20 -1.34 117.51 117.20 1afo h ILE 77 Ca 0.12 -0.10 0.04 0.00 1.08 0.00 0.00 64.86 65.99 1afo h ILE 77 Cb 0.10 0.64 -0.04 0.00 -1.09 0.00 0.00 36.82 36.43 1afo h ILE 77 CO -0.13 0.06 0.17 -0.26 -1.08 0.00 0.00 178.15 176.90 1afo h PHE 78 N 0.30 0.30 -0.38 2.19 -1.00 -0.61 -1.36 116.94 116.38 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 0.06 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 1afo h PHE 78 CO -0.11 0.15 0.15 0.78 -1.61 0.00 0.00 178.31 177.67 1afo h GLY 79 N 0.35 0.50 0.74 -1.45 0.00 0.08 0.82 103.07 104.11 1afo h GLY 79 Ca 0.17 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 79 CO -0.14 0.05 0.13 -2.08 0.00 0.00 0.00 176.54 174.50 1afo h VAL 80 N 0.32 0.92 -0.38 4.60 2.07 -0.75 -0.31 116.25 122.73 1afo h VAL 80 Ca 0.17 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1afo h VAL 80 Cb 0.13 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1afo h VAL 80 CO -0.16 0.05 0.17 0.24 0.02 0.00 0.00 177.57 177.89 1afo h MET 81 N 0.29 0.34 -0.45 1.57 2.07 -0.57 -2.04 114.93 116.13 1afo h MET 81 Ca 0.15 -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 -0.14 0.22 0.21 0.00 1.07 0.00 0.00 176.91 178.27 1afo h ALA 82 N 1.21 0.57 -0.38 6.32 0.00 -0.08 -1.39 119.26 125.51 1afo h ALA 82 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1afo h ALA 82 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1afo h ALA 82 CO -0.13 -0.16 0.14 0.78 0.00 0.00 0.00 179.25 179.88 1afo h GLY 83 N 0.42 0.50 0.71 0.00 0.00 -0.52 -0.77 103.07 103.41 1afo h GLY 83 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1afo h GLY 83 CO -0.16 0.04 0.14 -2.08 0.00 0.00 0.00 176.54 174.48 1afo h VAL 84 N 0.31 0.91 -0.40 4.60 2.07 -0.77 -1.61 116.25 121.35 1afo h VAL 84 Ca 0.17 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1afo h VAL 84 Cb 0.14 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1afo h VAL 84 CO -0.17 0.06 0.18 0.40 0.02 0.00 0.00 177.57 178.06 1afo h ILE 85 N 0.31 0.94 -0.40 4.57 2.04 -0.58 -1.73 117.51 122.65 1afo h ILE 85 Ca 0.17 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1afo h ILE 85 Cb 0.13 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1afo h ILE 85 CO -0.16 0.07 0.17 1.23 0.00 0.00 0.00 178.15 179.46 1afo h GLY 86 N 0.37 0.53 0.73 5.37 0.00 -0.59 -0.53 103.07 108.95 1afo h GLY 86 Ca 0.18 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 86 CO -0.15 0.05 0.15 -0.84 0.00 0.00 0.00 176.54 175.76 1afo h THR 87 N 0.34 0.92 -0.39 4.70 2.02 -0.79 -0.06 112.91 119.65 1afo h THR 87 Ca 0.18 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1afo h THR 87 Cb 0.14 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1afo h THR 87 CO -0.16 0.06 0.17 0.40 0.37 0.00 0.00 175.52 176.35 1afo h ILE 88 N 0.32 0.93 -0.42 3.11 2.04 -0.67 -1.30 117.51 121.51 1afo h ILE 88 Ca 0.17 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.95 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 0.18 0.25 0.00 0.00 0.00 178.15 178.49 1afo h LEU 89 N 0.34 0.24 -0.40 1.44 5.85 -0.36 -1.41 115.31 121.01 1afo h LEU 89 Ca 0.17 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1afo h LEU 89 Cb 0.12 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1afo h LEU 89 CO -0.15 0.17 0.16 -0.07 -0.34 0.00 0.00 178.44 178.22 1afo h LEU 90 N 0.37 0.21 -0.39 2.25 3.38 -0.28 0.21 115.31 121.06 1afo h LEU 90 Ca 0.19 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1afo h LEU 90 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1afo h LEU 90 CO -0.16 0.16 0.16 0.40 0.09 0.00 0.00 178.44 179.08 1afo h ILE 91 N 0.34 0.92 -0.37 1.22 2.04 -0.64 0.30 117.51 121.32 1afo h ILE 91 Ca 0.18 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 91 Cb 0.14 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 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 0.33 0.17 -0.34 1.72 0.02 -0.53 0.17 113.55 115.08 1afo h SER 92 Ca 0.17 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1afo h SER 92 Cb 0.13 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1afo h SER 92 CO -0.16 0.13 0.14 0.22 -1.14 0.00 0.00 176.83 176.02 1afo h TYR 93 N 0.30 0.25 -0.37 3.45 3.20 0.07 -0.06 116.97 123.80 1afo h TYR 93 Ca 0.16 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1afo h TYR 93 Cb 0.13 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1afo h TYR 93 CO -0.13 0.12 0.16 0.78 -1.64 0.00 0.00 178.16 177.44 1afo h GLY 94 N 0.29 0.49 0.71 1.82 0.00 0.50 0.22 103.07 107.10 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 -0.14 0.06 0.17 -2.22 0.00 0.00 0.00 176.54 174.41 1afo h ILE 95 N 0.33 0.92 -0.40 2.60 5.03 -0.05 -0.74 117.51 125.19 1afo h ILE 95 Ca 0.17 -0.12 0.04 0.00 -0.12 0.00 0.00 64.86 64.83 1afo h ILE 95 Cb 0.11 0.54 -0.04 0.00 -3.03 0.00 0.00 36.82 34.41 1afo h ILE 95 CO -0.15 0.06 0.17 0.03 -0.68 0.00 0.00 178.15 177.58 1afo h ARG 96 N 0.35 0.34 -0.42 2.37 3.08 -0.19 -1.53 114.38 118.38 1afo h ARG 96 Ca 0.18 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1afo h ARG 96 Cb 0.13 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1afo h ARG 96 CO -0.16 0.22 0.18 -0.09 -1.07 0.00 0.00 179.97 179.05 1afo h ARG 97 N 0.35 0.36 -0.42 0.04 2.43 -0.15 1.60 114.38 118.59 1afo h ARG 97 Ca 0.18 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 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 0.24 0.17 -0.07 -1.51 0.00 0.00 179.97 178.64 1afo h LEU 98 N 0.37 0.21 -0.23 3.80 3.38 -0.54 -2.38 115.31 119.92 1afo h LEU 98 Ca 0.19 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 1afo h LEU 98 Cb 0.13 0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1afo h LEU 98 CO -0.16 0.16 -0.74 0.16 0.09 0.00 0.00 178.44 177.95 1afo h ILE 99 N 0.35 1.29 -3.49 1.22 3.07 -0.59 -3.45 117.51 115.91 1afo h ILE 99 Ca 0.19 -1.97 0.00 0.00 1.55 0.00 0.00 64.86 64.63 1afo h ILE 99 Cb 0.15 1.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1afo h ILE 99 CO -0.17 0.62 0.00 0.29 -1.05 0.00 0.00 178.15 177.84 1afo n LYS 100 N -3.93 1.47 0.00 0.16 5.02 0.54 -5.09 118.16 116.33 1afo n LYS 100 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1afo n LYS 100 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.73 1afo n LYS 100 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24