#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 -0.06 1.45 -0.06 -1.26 -5.06 117.38 112.39 1afo n GLN 63 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1afo n GLN 63 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 1afo n GLN 63 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1afo h LEU 64 N 0.00 -0.01 -2.56 1.69 6.46 -2.10 -3.49 115.31 115.31 1afo h LEU 64 Ca 0.00 -0.64 -0.19 0.00 -0.12 0.00 0.00 57.88 56.93 1afo h LEU 64 Cb 0.00 0.00 0.15 0.00 -0.73 0.00 0.00 40.66 40.08 1afo h LEU 64 CO 0.00 0.81 -0.65 0.00 -0.62 0.00 0.00 178.44 177.98 1afo n ALA 65 N -2.66 -2.09 -0.24 1.25 0.00 -1.26 -4.90 120.51 110.61 1afo n ALA 65 Ca -0.07 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1afo n ALA 65 Cb 0.31 -4.54 -0.09 0.00 0.00 0.00 0.00 19.45 15.14 1afo n ALA 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1afo h HIS 66 N -0.79 -1.54 -1.08 0.00 2.76 -2.07 -3.36 115.15 109.06 1afo h HIS 66 Ca -0.46 0.09 -0.34 0.00 -2.20 0.00 0.00 60.37 57.46 1afo h HIS 66 Cb 1.23 0.75 -0.24 0.00 1.55 0.00 0.00 27.41 30.71 1afo h HIS 66 CO 0.23 -0.37 -0.71 1.58 -1.30 0.00 0.00 177.93 177.37 1afo n HIS 67 N -4.96 -2.44 -1.55 5.26 -0.00 -1.26 -5.06 115.22 105.22 1afo n HIS 67 Ca -0.01 -2.30 -0.13 0.00 0.46 0.00 0.00 57.72 55.74 1afo n HIS 67 Cb 0.26 0.91 -0.10 0.00 -0.12 0.00 0.00 29.99 30.94 1afo n HIS 67 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1afo n PHE 68 N 2.12 0.95 -1.43 1.57 7.35 -1.26 -4.82 117.46 121.94 1afo n PHE 68 Ca 0.17 -0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1afo n PHE 68 Cb 0.57 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.91 1afo n PHE 68 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1afo n SER 69 N 18.64 0.09 0.00 -2.13 3.41 -1.26 -5.04 113.62 127.33 1afo n SER 69 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1afo n SER 69 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1afo n SER 69 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1afo n GLU 70 N 0.00 0.00 -1.54 4.33 0.00 -1.26 -5.05 120.64 117.12 1afo n GLU 70 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 1afo n GLU 70 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 1afo n GLU 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 1afo n PRO 71 N 0.00 0.23 0.00 5.31 -0.02 -1.26 -4.77 135.00 134.49 1afo n PRO 71 Ca 0.00 -1.28 0.00 0.00 -2.02 0.00 0.00 63.50 60.20 1afo n PRO 71 Cb 0.00 -3.60 0.00 0.00 -0.02 0.00 0.00 33.50 29.88 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 8.05 0.00 -0.31 -0.52 1.02 -1.26 -0.76 120.64 126.86 1afo n GLU 72 Ca 0.41 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 58.09 1afo n GLU 72 Cb 0.45 -1.20 0.38 0.00 -0.02 0.00 0.00 31.44 31.05 1afo n GLU 72 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1afo h ILE 73 N 0.00 0.74 -0.28 -3.67 -0.00 -1.98 0.36 117.51 112.67 1afo h ILE 73 Ca 0.00 -0.23 -0.00 0.00 -0.00 0.00 0.00 64.86 64.63 1afo h ILE 73 Cb 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 36.82 36.82 1afo h ILE 73 CO 0.00 0.12 0.17 0.74 -0.00 0.00 0.00 178.15 179.18 1afo h THR 74 N 0.67 1.11 -0.18 2.19 2.02 -1.93 0.24 112.91 117.03 1afo h THR 74 Ca 0.52 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.38 1afo h THR 74 Cb 0.92 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1afo h THR 74 CO -0.28 0.11 -0.05 0.25 0.37 0.00 0.00 175.52 175.92 1afo h LEU 75 N 0.35 0.35 -0.37 2.58 6.46 0.12 -0.75 115.31 124.06 1afo h LEU 75 Ca 0.10 -0.38 0.04 0.00 -0.12 0.00 0.00 57.88 57.52 1afo h LEU 75 Cb 0.03 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.83 1afo h LEU 75 CO -0.02 0.65 0.13 0.40 -0.62 0.00 0.00 178.44 178.98 1afo h ILE 76 N 0.05 0.89 -0.36 4.05 2.04 -0.18 0.35 117.51 124.35 1afo h ILE 76 Ca 0.04 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1afo h ILE 76 Cb 0.51 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 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 0.28 0.94 -0.39 -0.67 2.04 -0.43 -1.09 117.51 118.19 1afo h ILE 77 Ca 0.17 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 77 Cb 0.15 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1afo h ILE 77 CO -0.17 0.06 0.17 -0.26 0.00 0.00 0.00 178.15 177.95 1afo h PHE 78 N 0.32 0.31 -0.39 1.37 0.04 0.03 -1.33 116.94 117.30 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 0.15 0.15 0.78 -0.60 0.00 0.00 178.31 178.67 1afo h GLY 79 N 0.36 0.51 0.73 -1.45 0.00 0.37 0.31 103.07 103.90 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 0.12 -2.08 0.00 0.00 0.00 176.54 174.47 1afo h VAL 80 N 0.32 0.91 -0.35 4.60 2.07 -0.65 0.25 116.25 123.40 1afo h VAL 80 Ca 0.18 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1afo h VAL 80 Cb 0.14 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 0.00 177.57 177.86 1afo h MET 81 N 0.26 0.32 -0.48 1.57 2.07 -0.48 -1.96 114.93 116.22 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 0.11 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 29.73 1afo h MET 81 CO -0.15 0.21 0.23 0.00 1.07 0.00 0.00 176.91 178.27 1afo h ALA 82 N 1.20 0.60 -0.40 6.32 0.00 0.59 -1.38 119.26 126.20 1afo h ALA 82 Ca 0.15 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1afo h ALA 82 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1afo h ALA 82 CO -0.13 -0.13 0.14 0.78 0.00 0.00 0.00 179.25 179.92 1afo h GLY 83 N 0.45 0.51 0.73 0.00 0.00 0.11 0.14 103.07 105.00 1afo h GLY 83 Ca 0.21 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1afo h GLY 83 CO -0.16 0.03 0.13 -2.08 0.00 0.00 0.00 176.54 174.47 1afo h VAL 84 N 0.31 0.92 -0.40 4.60 2.07 -0.76 -0.25 116.25 122.73 1afo h VAL 84 Ca 0.18 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1afo h VAL 84 Cb 0.16 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1afo h VAL 84 CO -0.18 0.05 0.18 0.40 0.02 0.00 0.00 177.57 178.04 1afo h ILE 85 N 0.29 0.93 -0.44 4.57 2.04 -0.37 -1.46 117.51 123.08 1afo h ILE 85 Ca 0.16 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1afo h ILE 85 Cb 0.12 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1afo h ILE 85 CO -0.15 0.07 0.19 1.23 0.00 0.00 0.00 178.15 179.48 1afo h GLY 86 N 0.36 0.59 0.68 5.37 0.00 0.00 -0.64 103.07 109.42 1afo h GLY 86 Ca 0.18 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.43 1afo h GLY 86 CO -0.15 0.07 0.16 -0.84 0.00 0.00 0.00 176.54 175.78 1afo h THR 87 N 0.38 0.90 -0.37 4.70 2.02 -0.41 0.16 112.91 120.29 1afo h THR 87 Ca 0.20 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1afo h THR 87 Cb 0.14 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1afo h THR 87 CO -0.17 0.06 0.15 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 -0.49 0.14 117.51 123.15 1afo h ILE 88 Ca 0.19 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1afo h ILE 88 Cb 0.15 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1afo h ILE 88 CO -0.17 0.06 0.18 0.17 0.00 0.00 0.00 178.15 178.39 1afo h LEU 89 N 0.32 0.24 -0.42 1.44 8.10 -0.20 -0.78 115.31 124.00 1afo h LEU 89 Ca 0.17 0.03 0.04 0.00 0.11 0.00 0.00 57.88 58.23 1afo h LEU 89 Cb 0.12 -0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 40.29 1afo h LEU 89 CO -0.15 0.18 0.18 0.25 -4.11 0.00 0.00 178.44 174.79 1afo h LEU 90 N 0.37 0.24 -0.42 0.17 5.85 0.31 -0.90 115.31 120.94 1afo h LEU 90 Ca 0.18 0.03 0.05 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 0.17 0.17 0.40 -0.34 0.00 0.00 178.44 178.69 1afo h ILE 91 N 0.37 0.90 -0.36 4.05 2.04 0.10 0.31 117.51 124.92 1afo h ILE 91 Ca 0.19 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1afo h ILE 91 Cb 0.14 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 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 0.35 0.14 -0.35 1.72 0.02 -0.43 0.25 113.55 115.24 1afo h SER 92 Ca 0.19 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1afo h SER 92 Cb 0.15 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1afo h SER 92 CO -0.17 0.11 0.14 0.22 -1.14 0.00 0.00 176.83 176.00 1afo h TYR 93 N 0.28 0.26 -0.39 3.45 5.03 -0.14 -0.51 116.97 124.96 1afo h TYR 93 Ca 0.16 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.53 1afo h TYR 93 Cb 0.14 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.32 1afo h TYR 93 CO -0.14 0.12 0.16 0.78 -1.32 0.00 0.00 178.16 177.76 1afo h GLY 94 N 0.31 0.51 0.71 1.82 0.00 0.65 0.65 103.07 107.72 1afo h GLY 94 Ca 0.16 -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 0.15 -2.22 0.00 0.00 0.00 176.54 174.39 1afo h ILE 95 N 0.33 0.91 -0.40 2.60 2.04 0.12 0.68 117.51 123.80 1afo h ILE 95 Ca 0.17 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 95 Cb 0.12 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1afo h ILE 95 CO -0.15 0.06 0.17 0.03 0.00 0.00 0.00 178.15 178.26 1afo h ARG 96 N 0.31 0.34 -0.39 2.37 3.08 -0.33 -1.10 114.38 118.66 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 0.13 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1afo h ARG 96 CO -0.16 0.23 0.17 -0.09 -1.07 0.00 0.00 179.97 179.05 1afo h ARG 97 N 0.35 0.34 -0.42 0.04 2.43 0.05 1.88 114.38 119.05 1afo h ARG 97 Ca 0.18 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1afo h ARG 97 Cb 0.12 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1afo h ARG 97 CO -0.15 0.22 0.18 -0.07 -1.51 0.00 0.00 179.97 178.64 1afo h LEU 98 N 0.35 0.23 -0.02 3.80 3.38 -0.22 -2.92 115.31 119.90 1afo h LEU 98 Ca 0.17 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1afo h LEU 98 Cb 0.12 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1afo h LEU 98 CO -0.15 0.17 -0.39 0.16 0.09 0.00 0.00 178.44 178.32 1afo h ILE 99 N 0.37 1.47 -2.99 1.22 3.07 -0.56 -3.47 117.51 116.61 1afo h ILE 99 Ca 0.19 -1.92 -0.44 0.00 1.55 0.00 0.00 64.86 64.24 1afo h ILE 99 Cb 0.14 2.56 -0.14 0.00 -0.27 0.00 0.00 36.82 39.11 1afo h ILE 99 CO -0.17 0.54 -0.65 -0.54 -1.05 0.00 0.00 178.15 176.29 1afo s LYS 100 N -3.32 1.49 0.00 0.16 3.01 0.63 -5.09 119.74 116.61 1afo s LYS 100 Ca -0.14 -1.77 0.00 0.00 -1.01 0.00 0.00 55.97 53.04 1afo s LYS 100 Cb 0.03 -0.84 0.00 0.00 -1.01 0.00 0.00 37.83 36.00 1afo s LYS 100 CO 0.78 -0.08 0.00 1.63 0.51 0.00 0.00 175.35 178.19