#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 3.31 0.00 1.45 -0.06 -1.26 -5.07 117.38 115.75 1afo n GLN 63 Ca 0.00 -2.66 0.00 0.00 -2.00 0.00 0.00 57.00 52.34 1afo n GLN 63 Cb 0.00 -1.70 0.00 0.00 -4.06 0.00 0.00 30.24 24.48 1afo n GLN 63 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1afo n LEU 64 N 0.72 0.00 -1.13 1.69 7.94 -1.26 -4.77 117.00 120.19 1afo n LEU 64 Ca 0.21 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.06 1afo n LEU 64 Cb 0.76 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.67 1afo n LEU 64 CO 0.18 -0.33 0.33 0.00 -1.11 0.00 0.00 177.39 176.46 1afo n ALA 65 N 0.55 2.87 -3.84 1.96 0.00 -1.26 -5.14 120.51 115.65 1afo n ALA 65 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 1afo n ALA 65 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.17 -2.11 0.00 0.00 8.25 -1.26 -5.07 115.22 114.85 1afo n HIS 66 Ca -0.23 -1.95 0.00 0.00 -0.26 0.00 0.00 57.72 55.29 1afo n HIS 66 Cb 0.66 0.81 0.00 0.00 1.12 0.00 0.00 29.99 32.58 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 -0.53 0.00 -2.14 4.41 -0.00 -1.26 -5.13 115.22 110.56 1afo n HIS 67 Ca -0.06 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.75 1afo n HIS 67 Cb 0.58 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.46 1afo n HIS 67 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1afo s PHE 68 N 0.00 2.69 0.24 1.57 0.40 -1.26 -4.78 117.98 116.84 1afo s PHE 68 Ca 0.00 1.50 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1afo s PHE 68 Cb 0.00 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 40.07 1afo s PHE 68 CO 0.00 -1.86 0.00 -1.13 0.70 0.00 0.00 175.22 172.93 1afo n SER 69 N -0.79 -4.97 -3.93 1.36 3.41 -1.26 -4.65 113.62 102.79 1afo n SER 69 Ca 0.09 0.47 -0.30 0.00 -0.26 0.00 0.00 58.87 58.86 1afo n SER 69 Cb 0.48 -3.05 -0.14 0.00 -0.26 0.00 0.00 64.21 61.24 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 -2.45 1.62 -0.36 4.33 2.02 -1.26 -5.06 118.70 117.54 1afo s GLU 70 Ca 0.00 -2.16 -0.27 0.00 0.02 0.00 0.00 54.97 52.56 1afo s GLU 70 Cb 0.00 -3.06 -0.06 0.00 0.10 0.00 0.00 34.13 31.12 1afo s GLU 70 CO 0.00 -1.05 2.30 -1.25 0.02 0.00 0.00 175.26 175.29 1afo s PRO 71 N 0.36 2.60 0.31 0.39 0.04 -1.26 -4.83 135.00 132.61 1afo s PRO 71 Ca 0.14 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1afo s PRO 71 Cb -0.23 -4.48 0.70 0.00 0.04 0.00 0.00 34.50 30.54 1afo s PRO 71 CO -0.05 -2.70 1.82 0.93 0.04 0.00 0.00 177.00 177.04 1afo h GLU 72 N 17.31 0.80 -0.36 4.56 3.07 -2.00 -0.34 114.58 137.63 1afo h GLU 72 Ca -0.32 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.46 1afo h GLU 72 Cb 1.25 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 1afo h GLU 72 CO 1.06 0.53 0.11 0.97 -1.40 0.00 0.00 179.01 180.29 1afo h ILE 73 N 0.82 1.21 -0.41 3.13 6.09 -1.98 0.32 117.51 126.69 1afo h ILE 73 Ca 0.52 -0.69 0.04 0.00 -1.37 0.00 0.00 64.86 63.37 1afo h ILE 73 Cb 0.73 0.98 -0.04 0.00 0.47 0.00 0.00 36.82 38.95 1afo h ILE 73 CO -0.29 0.24 0.17 0.71 -3.07 0.00 0.00 178.15 175.91 1afo h THR 74 N 0.44 0.92 -0.15 2.19 1.35 -1.47 0.44 112.91 116.63 1afo h THR 74 Ca 0.12 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.82 1afo h THR 74 Cb 0.25 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1afo h THR 74 CO -0.00 0.07 -0.03 0.25 -0.25 0.00 0.00 175.52 175.56 1afo h LEU 75 N 0.36 0.28 -0.34 3.87 6.46 -1.18 0.21 115.31 124.96 1afo h LEU 75 Ca 0.19 -0.35 0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1afo h LEU 75 Cb 0.14 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1afo h LEU 75 CO -0.16 0.57 0.13 0.40 -0.62 0.00 0.00 178.44 178.75 1afo h ILE 76 N -0.02 0.92 -0.37 4.05 2.04 -0.56 0.28 117.51 123.85 1afo h ILE 76 Ca 0.04 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1afo h ILE 76 Cb 0.44 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1afo h ILE 76 CO 0.01 0.05 0.16 0.40 0.00 0.00 0.00 178.15 178.78 1afo h ILE 77 N 0.28 0.95 -0.40 -0.67 2.04 0.01 -1.23 117.51 118.49 1afo h ILE 77 Ca 0.15 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1afo h ILE 77 Cb 0.11 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1afo h ILE 77 CO -0.15 0.06 0.16 -0.26 0.00 0.00 0.00 178.15 177.96 1afo h PHE 78 N 0.34 0.29 -0.37 1.37 -1.00 0.57 0.61 116.94 118.75 1afo h PHE 78 Ca 0.16 0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.00 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 -0.11 0.13 0.14 0.78 -1.61 0.00 0.00 178.31 177.63 1afo h GLY 79 N 0.33 0.48 0.75 -1.45 0.00 0.15 0.33 103.07 103.66 1afo h GLY 79 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1afo h GLY 79 CO -0.17 0.04 0.14 -2.08 0.00 0.00 0.00 176.54 174.47 1afo h VAL 80 N 0.30 0.93 -0.39 4.60 2.07 -0.50 -0.64 116.25 122.63 1afo h VAL 80 Ca 0.17 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.62 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 0.00 177.57 177.90 1afo h MET 81 N 0.30 0.35 -0.44 1.57 2.07 0.04 -1.78 114.93 117.03 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 0.10 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.71 1afo h MET 81 CO -0.14 0.23 0.20 0.00 1.07 0.00 0.00 176.91 178.27 1afo h ALA 82 N 1.22 0.55 -0.37 6.32 0.00 0.41 0.61 119.26 128.00 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 -0.17 0.14 0.78 0.00 0.00 0.00 179.25 179.86 1afo h GLY 83 N 0.39 0.48 0.74 0.00 0.00 -0.59 -0.13 103.07 103.96 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 -0.17 0.04 0.16 -2.08 0.00 0.00 0.00 176.54 174.50 1afo h VAL 84 N 0.30 0.93 -0.39 4.60 2.07 -0.53 -1.60 116.25 121.62 1afo h VAL 84 Ca 0.17 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1afo h VAL 84 Cb 0.13 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1afo h VAL 84 CO -0.16 0.06 0.16 0.40 0.02 0.00 0.00 177.57 178.05 1afo h ILE 85 N 0.34 0.92 -0.37 4.57 1.08 -0.03 -0.38 117.51 123.63 1afo h ILE 85 Ca 0.17 -0.11 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1afo h ILE 85 Cb 0.12 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 1afo h ILE 85 CO -0.15 0.06 0.14 1.23 -0.69 0.00 0.00 178.15 178.75 1afo h GLY 86 N 0.33 0.48 0.75 5.37 0.00 -0.50 0.54 103.07 110.04 1afo h GLY 86 Ca 0.18 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1afo h GLY 86 CO -0.16 0.05 0.16 -0.84 0.00 0.00 0.00 176.54 175.75 1afo h THR 87 N 0.31 0.94 -0.40 4.70 2.02 -0.70 -0.87 112.91 118.91 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 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1afo h THR 87 CO -0.16 0.06 0.17 0.40 0.37 0.00 0.00 175.52 176.37 1afo h ILE 88 N 0.34 0.92 -0.40 3.11 2.04 -0.26 -0.48 117.51 122.78 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 0.11 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1afo h ILE 88 CO -0.14 0.06 0.17 0.25 0.00 0.00 0.00 178.15 178.49 1afo h LEU 89 N 0.35 0.21 -0.39 1.44 5.85 -0.23 0.47 115.31 123.02 1afo h LEU 89 Ca 0.18 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1afo h LEU 89 Cb 0.13 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1afo h LEU 89 CO -0.16 0.16 0.16 0.25 -0.34 0.00 0.00 178.44 178.51 1afo h LEU 90 N 0.34 0.20 -0.41 2.25 5.85 -0.42 -1.01 115.31 122.12 1afo h LEU 90 Ca 0.18 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1afo h LEU 90 Cb 0.14 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1afo h LEU 90 CO -0.16 0.15 0.18 0.40 -0.34 0.00 0.00 178.44 178.67 1afo h ILE 91 N 0.33 0.93 -0.37 4.05 2.04 -0.22 -0.09 117.51 124.18 1afo h ILE 91 Ca 0.17 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 91 Cb 0.12 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1afo h ILE 91 CO -0.15 0.07 0.13 0.28 0.00 0.00 0.00 178.15 178.48 1afo h SER 92 N 0.37 0.15 -0.32 1.72 0.02 -0.19 0.24 113.55 115.53 1afo h SER 92 Ca 0.18 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1afo h SER 92 Cb 0.12 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1afo h SER 92 CO -0.15 0.12 0.13 1.88 -1.14 0.00 0.00 176.83 177.67 1afo h TYR 93 N 0.29 0.23 -0.35 3.45 0.05 -0.50 -0.09 116.97 120.04 1afo h TYR 93 Ca 0.17 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.99 1afo h TYR 93 Cb 0.14 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 1afo h TYR 93 CO -0.14 0.11 0.15 0.78 -1.05 0.00 0.00 178.16 178.01 1afo h GLY 94 N 0.27 0.46 0.72 3.88 0.00 -0.13 -1.13 103.07 107.15 1afo h GLY 94 Ca 0.14 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1afo h GLY 94 CO -0.13 0.06 0.18 1.19 0.00 0.00 0.00 176.54 177.84 1afo h ILE 95 N 0.32 0.93 -0.45 2.60 6.09 0.07 -1.12 117.51 125.96 1afo h ILE 95 Ca 0.15 -0.13 0.05 0.00 -1.37 0.00 0.00 64.86 63.56 1afo h ILE 95 Cb 0.09 0.52 -0.05 0.00 0.47 0.00 0.00 36.82 37.86 1afo h ILE 95 CO -0.13 0.07 0.19 0.03 -3.07 0.00 0.00 178.15 175.24 1afo h ARG 96 N 0.37 0.38 -0.42 2.19 3.08 -0.41 -0.76 114.38 118.81 1afo h ARG 96 Ca 0.19 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1afo h ARG 96 Cb 0.13 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1afo h ARG 96 CO -0.16 0.25 0.19 -0.09 -1.07 0.00 0.00 179.97 179.09 1afo h ARG 97 N 0.39 0.37 -0.42 0.04 1.12 -0.47 -2.10 114.38 113.30 1afo h ARG 97 Ca 0.21 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.10 1afo h ARG 97 Cb 0.16 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.00 1afo h ARG 97 CO -0.18 0.24 0.17 -0.07 -3.11 0.00 0.00 179.97 177.02 1afo h LEU 98 N 0.38 0.21 0.00 3.80 3.38 -0.26 -3.40 115.31 119.41 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 0.16 0.00 2.30 0.09 0.00 0.00 178.44 180.83 1afo n ILE 99 N -4.98 0.00 -1.26 1.22 -5.35 -0.38 -4.98 119.36 103.63 1afo n ILE 99 Ca 0.03 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.54 1afo n ILE 99 Cb 0.14 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.03 1afo n ILE 99 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1afo n LYS 100 N 0.00 -0.54 -0.67 6.28 3.00 -1.03 -5.03 118.16 120.18 1afo n LYS 100 Ca 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 1afo n LYS 100 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 35.03 34.37 1afo n LYS 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57