#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 -3.03 -3.54 7.34 -0.06 -1.26 -5.03 117.38 111.81 1afo n GLN 63 Ca 0.00 2.48 -0.13 0.00 -2.00 0.00 0.00 57.00 57.35 1afo n GLN 63 Cb 0.00 -3.58 -0.05 0.00 -4.06 0.00 0.00 30.24 22.56 1afo n GLN 63 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1afo n LEU 64 N -4.17 0.00 -2.81 1.69 -0.00 -1.26 -5.07 117.00 105.38 1afo n LEU 64 Ca -0.08 -2.24 -0.30 0.00 -0.00 0.00 0.00 56.01 53.39 1afo n LEU 64 Cb 0.61 1.40 -0.00 0.00 -0.00 0.00 0.00 43.42 45.43 1afo n LEU 64 CO 0.03 -0.41 0.51 0.00 -0.00 0.00 0.00 177.39 177.52 1afo n ALA 65 N -1.33 5.27 0.95 1.47 0.00 -1.26 -4.67 120.51 120.94 1afo n ALA 65 Ca -0.09 -4.45 0.10 0.00 0.00 0.00 0.00 53.44 49.01 1afo n ALA 65 Cb 0.44 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.37 0.00 -0.95 0.00 8.25 -1.26 -4.72 115.22 116.17 1afo n HIS 66 Ca 0.40 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.45 1afo n HIS 66 Cb 0.47 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.14 1.41 -2.33 4.41 -0.00 -1.26 -4.87 115.22 112.44 1afo n HIS 67 Ca 0.08 -1.53 -0.26 0.00 0.46 0.00 0.00 57.72 56.47 1afo n HIS 67 Cb 0.44 -1.49 0.11 0.00 -0.12 0.00 0.00 29.99 28.93 1afo n HIS 67 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 1afo s PHE 68 N 5.22 2.01 0.12 1.57 5.36 -1.26 -4.98 117.98 126.02 1afo s PHE 68 Ca 0.56 0.07 -0.31 0.00 -0.96 0.00 0.00 56.93 56.29 1afo s PHE 68 Cb 0.14 -3.31 -0.09 0.00 -0.34 0.00 0.00 43.02 39.42 1afo s PHE 68 CO 0.14 -1.81 1.58 0.77 -1.46 0.00 0.00 175.22 174.44 1afo h SER 69 N -0.78 -1.35 -2.09 6.13 0.02 -2.02 -3.40 113.55 110.06 1afo h SER 69 Ca -0.41 0.16 -0.29 0.00 -0.84 0.00 0.00 61.79 60.41 1afo h SER 69 Cb 1.27 0.53 -0.32 0.00 0.14 0.00 0.00 62.40 64.01 1afo h SER 69 CO 0.46 -0.47 -0.61 -1.61 -1.14 0.00 0.00 176.83 173.46 1afo s GLU 70 N -5.87 0.33 -0.64 3.45 0.41 -1.26 -5.05 118.70 110.07 1afo s GLU 70 Ca -0.16 -0.02 -0.27 0.00 -0.41 0.00 0.00 54.97 54.11 1afo s GLU 70 Cb 0.08 -0.64 -0.28 0.00 -1.78 0.00 0.00 34.13 31.51 1afo s GLU 70 CO 0.63 -0.97 1.86 -2.30 -0.49 0.00 0.00 175.26 174.00 1afo n PRO 71 N 5.32 0.05 -0.06 0.39 -0.02 -1.26 -4.70 135.00 134.72 1afo n PRO 71 Ca -0.02 -1.37 -0.08 0.00 -2.02 0.00 0.00 63.50 60.01 1afo n PRO 71 Cb 0.47 -3.28 -0.01 0.00 -0.02 0.00 0.00 33.50 30.66 1afo n PRO 71 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1afo h GLU 72 N 10.91 0.16 -0.49 -0.52 4.11 -1.98 -1.61 114.58 125.16 1afo h GLU 72 Ca 0.10 -0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.57 1afo h GLU 72 Cb 0.88 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 1afo h GLU 72 CO 1.38 0.11 0.20 0.97 0.07 0.00 0.00 179.01 181.74 1afo h ILE 73 N 0.17 0.88 -0.40 -1.06 6.09 -1.99 0.46 117.51 121.66 1afo h ILE 73 Ca 0.11 -0.14 0.04 0.00 -1.37 0.00 0.00 64.86 63.51 1afo h ILE 73 Cb 0.10 0.45 -0.04 0.00 0.47 0.00 0.00 36.82 37.80 1afo h ILE 73 CO -0.14 0.07 0.17 0.74 -3.07 0.00 0.00 178.15 175.92 1afo h THR 74 N 0.40 0.92 -0.17 2.19 2.02 -1.82 0.15 112.91 116.60 1afo h THR 74 Ca 0.23 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1afo h THR 74 Cb 0.20 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1afo h THR 74 CO -0.21 0.06 -0.02 0.25 0.37 0.00 0.00 175.52 175.98 1afo h LEU 75 N 0.35 0.31 -0.34 2.58 6.46 -0.50 -0.83 115.31 123.35 1afo h LEU 75 Ca 0.18 -0.34 0.04 0.00 -0.12 0.00 0.00 57.88 57.64 1afo h LEU 75 Cb 0.13 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 1afo h LEU 75 CO -0.16 0.58 0.11 0.40 -0.62 0.00 0.00 178.44 178.75 1afo h ILE 76 N 0.04 0.89 -0.34 4.05 2.04 0.28 0.30 117.51 124.77 1afo h ILE 76 Ca 0.05 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1afo h ILE 76 Cb 0.43 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1afo h ILE 76 CO 0.01 0.05 0.15 0.40 0.00 0.00 0.00 178.15 178.75 1afo h ILE 77 N 0.25 0.95 -0.35 -0.67 1.08 -0.63 -1.42 117.51 116.71 1afo h ILE 77 Ca 0.15 -0.11 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 1afo h ILE 77 Cb 0.13 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 1afo h ILE 77 CO -0.16 0.06 0.15 -0.26 -0.69 0.00 0.00 178.15 177.24 1afo h PHE 78 N 0.31 0.27 -0.35 1.37 -1.00 -0.11 -0.65 116.94 116.78 1afo h PHE 78 Ca 0.15 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.98 1afo h PHE 78 Cb 0.09 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 1afo h PHE 78 CO -0.12 0.13 0.13 0.78 -1.61 0.00 0.00 178.31 177.62 1afo h GLY 79 N 0.31 0.45 0.77 -1.45 0.00 0.08 0.18 103.07 103.40 1afo h GLY 79 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1afo h GLY 79 CO -0.14 0.04 0.13 -2.08 0.00 0.00 0.00 176.54 174.50 1afo h VAL 80 N 0.29 0.94 -0.36 4.60 2.07 -0.77 -0.23 116.25 122.77 1afo h VAL 80 Ca 0.16 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1afo h VAL 80 Cb 0.12 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1afo h VAL 80 CO -0.15 0.05 0.15 0.24 0.02 0.00 0.00 177.57 177.89 1afo h MET 81 N 0.29 0.31 -0.45 1.57 2.07 -0.39 -1.94 114.93 116.39 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 0.09 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 29.71 1afo h MET 81 CO -0.13 0.21 0.21 0.00 1.07 0.00 0.00 176.91 178.26 1afo h ALA 82 N 1.21 0.56 -0.38 6.32 0.00 0.05 -1.34 119.26 125.69 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 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1afo h ALA 82 CO -0.14 -0.16 0.14 0.78 0.00 0.00 0.00 179.25 179.88 1afo h GLY 83 N 0.41 0.49 0.74 0.00 0.00 -0.48 -0.20 103.07 104.03 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 0.13 -2.08 0.00 0.00 0.00 176.54 174.48 1afo h VAL 84 N 0.31 0.92 -0.37 4.60 2.07 -0.78 -1.18 116.25 121.81 1afo h VAL 84 Ca 0.17 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1afo h VAL 84 Cb 0.13 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1afo h VAL 84 CO -0.16 0.05 0.16 0.40 0.02 0.00 0.00 177.57 178.04 1afo h ILE 85 N 0.29 0.93 -0.41 4.57 1.08 -0.58 -1.85 117.51 121.54 1afo h ILE 85 Ca 0.15 -0.11 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1afo h ILE 85 Cb 0.11 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 1afo h ILE 85 CO -0.14 0.06 0.17 1.23 -0.69 0.00 0.00 178.15 178.77 1afo h GLY 86 N 0.33 0.54 0.70 5.37 0.00 -0.47 -1.17 103.07 108.37 1afo h GLY 86 Ca 0.17 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1afo h GLY 86 CO -0.15 0.06 0.16 -0.84 0.00 0.00 0.00 176.54 175.77 1afo h THR 87 N 0.35 0.91 -0.37 4.70 2.02 -0.71 0.17 112.91 119.98 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 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1afo h THR 87 CO -0.16 0.06 0.15 0.40 0.37 0.00 0.00 175.52 176.34 1afo h ILE 88 N 0.33 0.93 -0.40 3.11 2.04 -0.74 -0.87 117.51 121.91 1afo h ILE 88 Ca 0.18 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 88 Cb 0.14 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1afo h ILE 88 CO -0.16 0.06 0.18 0.25 0.00 0.00 0.00 178.15 178.47 1afo h LEU 89 N 0.32 0.23 -0.41 1.44 5.85 -0.48 -1.41 115.31 120.86 1afo h LEU 89 Ca 0.16 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1afo h LEU 89 Cb 0.11 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1afo h LEU 89 CO -0.15 0.17 0.17 0.25 -0.34 0.00 0.00 178.44 178.54 1afo h LEU 90 N 0.36 0.21 -0.41 2.25 5.85 -0.27 -1.27 115.31 122.04 1afo h LEU 90 Ca 0.18 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1afo h LEU 90 Cb 0.12 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1afo h LEU 90 CO -0.15 0.16 0.17 0.40 -0.34 0.00 0.00 178.44 178.67 1afo h ILE 91 N 0.35 0.91 -0.36 4.05 2.04 -0.56 0.63 117.51 124.57 1afo h ILE 91 Ca 0.18 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 91 Cb 0.14 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 0.13 0.28 0.00 0.00 0.00 178.15 178.46 1afo h SER 92 N 0.34 0.15 -0.34 1.72 0.02 -0.59 0.79 113.55 115.64 1afo h SER 92 Ca 0.18 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1afo h SER 92 Cb 0.14 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1afo h SER 92 CO -0.17 0.12 0.14 0.22 -1.14 0.00 0.00 176.83 176.00 1afo h TYR 93 N 0.28 0.25 -0.34 3.45 5.03 -0.44 -1.63 116.97 123.58 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 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.32 1afo h TYR 93 CO -0.14 0.12 0.14 0.78 -1.32 0.00 0.00 178.16 177.74 1afo h GLY 94 N 0.30 0.45 0.73 1.82 0.00 0.01 -0.80 103.07 105.57 1afo h GLY 94 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1afo h GLY 94 CO -0.14 0.05 0.17 0.16 0.00 0.00 0.00 176.54 176.79 1afo h ILE 95 N 0.30 0.93 -0.42 2.60 3.07 -0.42 -0.78 117.51 122.79 1afo h ILE 95 Ca 0.15 -0.12 0.04 0.00 1.55 0.00 0.00 64.86 66.48 1afo h ILE 95 Cb 0.10 0.54 -0.04 0.00 -0.27 0.00 0.00 36.82 37.16 1afo h ILE 95 CO -0.14 0.06 0.18 0.03 -1.05 0.00 0.00 178.15 177.24 1afo h ARG 96 N 0.36 0.35 -0.43 0.16 3.08 -0.77 -1.67 114.38 115.46 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 0.12 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1afo h ARG 96 CO -0.15 0.23 0.20 -0.09 -1.07 0.00 0.00 179.97 179.09 1afo h ARG 97 N 0.37 0.38 -0.42 0.04 9.65 -0.37 0.57 114.38 124.60 1afo h ARG 97 Ca 0.19 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.09 1afo h ARG 97 Cb 0.14 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 1afo h ARG 97 CO -0.16 0.25 0.16 -0.07 2.80 0.00 0.00 179.97 182.95 1afo h LEU 98 N 0.39 0.20 -0.69 3.80 3.38 -0.45 0.18 115.31 122.12 1afo h LEU 98 Ca 0.19 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1afo h LEU 98 Cb 0.13 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1afo h LEU 98 CO -0.16 0.15 0.00 0.16 0.09 0.00 0.00 178.44 178.68 1afo h ILE 99 N 0.34 0.00 -3.62 1.22 3.07 -0.75 -3.42 117.51 114.35 1afo h ILE 99 Ca 0.19 -0.65 -0.62 0.00 1.55 0.00 0.00 64.86 65.34 1afo h ILE 99 Cb 0.16 1.61 -0.14 0.00 -0.27 0.00 0.00 36.82 38.18 1afo h ILE 99 CO -0.18 0.00 -0.31 -0.75 -1.05 0.00 0.00 178.15 175.86 1afo s LYS 100 N -3.40 4.08 0.00 0.16 2.47 0.20 -5.09 119.74 118.15 1afo s LYS 100 Ca 0.05 -0.00 0.00 0.00 -1.56 0.00 0.00 55.97 54.45 1afo s LYS 100 Cb 0.08 -3.59 0.00 0.00 -1.46 0.00 0.00 37.83 32.86 1afo s LYS 100 CO 0.58 -0.11 0.00 1.17 0.16 0.00 0.00 175.35 177.15