#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 2.30 -0.98 1.45 -0.06 -1.26 -4.64 117.38 114.19 1afo n GLN 63 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1afo n GLN 63 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 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 0.00 0.00 -1.66 1.69 0.00 -1.26 -4.89 117.00 110.88 1afo n LEU 64 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 1afo n LEU 64 Cb 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 43.42 43.16 1afo n LEU 64 CO 0.00 0.00 0.93 0.00 0.00 0.00 0.00 177.39 178.32 1afo n ALA 65 N 0.93 4.20 -0.95 1.96 0.00 -1.26 -4.79 120.51 120.60 1afo n ALA 65 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1afo n ALA 65 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.35 0.00 -3.11 0.00 8.25 -1.26 -4.26 115.22 114.50 1afo n HIS 66 Ca 0.32 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1afo n HIS 66 Cb 1.10 -1.27 -0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.29 -0.12 -0.94 4.41 1.44 -1.26 -4.78 115.22 111.68 1afo n HIS 67 Ca 0.00 0.07 -0.36 0.00 -2.01 0.00 0.00 57.72 55.41 1afo n HIS 67 Cb 0.28 -1.08 0.06 0.00 0.12 0.00 0.00 29.99 29.36 1afo n HIS 67 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1afo n PHE 68 N 2.05 -2.90 0.00 -1.40 7.35 -1.26 -4.99 117.46 116.31 1afo n PHE 68 Ca -0.01 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1afo n PHE 68 Cb 0.19 -1.47 0.00 0.00 0.35 0.00 0.00 39.48 38.56 1afo n PHE 68 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1afo n SER 69 N 2.37 0.00 0.00 -2.13 7.64 -1.26 -5.10 113.62 115.13 1afo n SER 69 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1afo n SER 69 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1afo n SER 69 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1afo n GLU 70 N 0.00 0.00 0.00 1.43 2.13 -1.26 -5.03 120.64 117.91 1afo n GLU 70 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1afo n GLU 70 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1afo n GLU 70 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1afo n PRO 71 N 0.00 0.00 0.00 5.31 -0.02 -1.26 -4.64 135.00 134.39 1afo n PRO 71 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1afo n PRO 71 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.41 0.00 -0.29 -0.52 1.02 -1.26 0.52 120.64 118.69 1afo n GLU 72 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 1afo n GLU 72 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.62 1afo n GLU 72 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1afo n ILE 73 N 0.00 -0.35 -0.17 -3.67 0.13 -1.26 0.26 119.36 114.29 1afo n ILE 73 Ca 0.00 1.87 -0.02 0.00 -1.10 0.00 0.00 62.75 63.50 1afo n ILE 73 Cb 0.00 -2.68 0.07 0.00 -0.84 0.00 0.00 39.64 36.20 1afo n ILE 73 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 1afo h THR 74 N 0.00 0.84 -0.08 9.51 1.35 -0.19 0.14 112.91 124.47 1afo h THR 74 Ca 0.47 -0.14 -0.06 0.00 -0.55 0.00 0.00 66.41 66.13 1afo h THR 74 Cb 0.89 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1afo h THR 74 CO -0.82 0.07 -0.18 0.25 -0.25 0.00 0.00 175.52 174.59 1afo h LEU 75 N 0.40 0.30 -0.28 3.87 6.46 0.44 -2.04 115.31 124.46 1afo h LEU 75 Ca 0.26 -0.58 0.03 0.00 -0.12 0.00 0.00 57.88 57.47 1afo h LEU 75 Cb 0.27 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1afo h LEU 75 CO -0.25 0.82 0.08 0.40 -0.62 0.00 0.00 178.44 178.88 1afo h ILE 76 N -0.21 0.90 -0.31 4.05 2.04 0.13 0.46 117.51 124.58 1afo h ILE 76 Ca -0.00 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1afo h ILE 76 Cb 0.78 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1afo h ILE 76 CO 0.04 0.04 0.14 -0.29 0.00 0.00 0.00 178.15 178.07 1afo h ILE 77 N 0.20 0.97 -0.39 -0.67 6.09 -0.79 -1.50 117.51 121.41 1afo h ILE 77 Ca 0.12 -0.10 0.04 0.00 -1.37 0.00 0.00 64.86 63.55 1afo h ILE 77 Cb 0.11 0.65 -0.04 0.00 0.47 0.00 0.00 36.82 38.01 1afo h ILE 77 CO -0.14 0.05 0.17 -0.26 -3.07 0.00 0.00 178.15 174.90 1afo h PHE 78 N 0.29 0.30 -0.38 2.19 -1.00 -0.58 -1.20 116.94 116.56 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 0.14 0.14 0.78 -1.61 0.00 0.00 178.31 177.65 1afo h GLY 79 N 0.35 0.49 0.74 -1.45 0.00 0.47 0.41 103.07 104.07 1afo h GLY 79 Ca 0.17 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1afo h GLY 79 CO -0.15 0.04 0.13 -2.08 0.00 0.00 0.00 176.54 174.48 1afo h VAL 80 N 0.30 0.92 -0.38 4.60 2.07 -0.78 0.16 116.25 123.14 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 0.14 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1afo h VAL 80 CO -0.17 0.05 0.17 0.24 0.02 0.00 0.00 177.57 177.88 1afo h MET 81 N 0.28 0.34 -0.46 1.57 2.07 -0.37 -1.99 114.93 116.37 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 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.72 1afo h MET 81 CO -0.14 0.23 0.22 0.00 1.07 0.00 0.00 176.91 178.28 1afo h ALA 82 N 1.22 0.58 -0.37 6.32 0.00 0.81 -0.23 119.26 127.59 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 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1afo h ALA 82 CO -0.14 -0.15 0.13 0.78 0.00 0.00 0.00 179.25 179.88 1afo h GLY 83 N 0.43 0.47 0.74 0.00 0.00 -0.10 0.26 103.07 104.87 1afo h GLY 83 Ca 0.21 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.50 1afo h GLY 83 CO -0.16 0.03 0.14 -2.08 0.00 0.00 0.00 176.54 174.47 1afo h VAL 84 N 0.28 0.93 -0.39 4.60 2.07 -0.70 -1.22 116.25 121.82 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 0.14 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1afo h VAL 84 CO -0.17 0.05 0.17 0.40 0.02 0.00 0.00 177.57 178.04 1afo h ILE 85 N 0.30 0.93 -0.43 4.57 2.04 -0.01 -1.57 117.51 123.33 1afo h ILE 85 Ca 0.16 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1afo h ILE 85 Cb 0.11 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1afo h ILE 85 CO -0.14 0.06 0.17 1.23 0.00 0.00 0.00 178.15 179.47 1afo h GLY 86 N 0.35 0.57 0.70 5.37 0.00 0.14 0.47 103.07 110.66 1afo h GLY 86 Ca 0.18 -0.11 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 0.00 176.54 175.74 1afo h THR 87 N 0.35 0.91 -0.39 4.70 2.02 -0.68 0.49 112.91 120.31 1afo h THR 87 Ca 0.19 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1afo h THR 87 Cb 0.16 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1afo h THR 87 CO -0.18 0.06 0.16 0.40 0.37 0.00 0.00 175.52 176.33 1afo h ILE 88 N 0.32 0.93 -0.41 3.11 2.04 -0.43 -0.69 117.51 122.38 1afo h ILE 88 Ca 0.17 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 88 Cb 0.14 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1afo h ILE 88 CO -0.16 0.06 0.17 0.25 0.00 0.00 0.00 178.15 178.47 1afo h LEU 89 N 0.33 0.23 -0.42 1.44 5.85 -0.04 -0.69 115.31 122.01 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 0.18 -0.07 -0.34 0.00 0.00 178.44 178.22 1afo h LEU 90 N 0.36 0.22 -0.43 2.25 3.38 -0.20 -0.79 115.31 120.10 1afo h LEU 90 Ca 0.18 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1afo h LEU 90 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1afo h LEU 90 CO -0.15 0.16 0.18 0.40 0.09 0.00 0.00 178.44 179.12 1afo h ILE 91 N 0.36 0.91 -0.39 1.22 2.04 -0.38 0.11 117.51 121.39 1afo h ILE 91 Ca 0.19 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1afo h ILE 91 Cb 0.14 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1afo h ILE 91 CO -0.17 0.07 0.15 0.28 0.00 0.00 0.00 178.15 178.48 1afo h SER 92 N 0.37 0.17 -0.35 1.72 0.02 -0.30 0.31 113.55 115.49 1afo h SER 92 Ca 0.19 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1afo h SER 92 Cb 0.15 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1afo h SER 92 CO -0.17 0.13 0.14 1.88 -1.14 0.00 0.00 176.83 177.67 1afo h TYR 93 N 0.31 0.25 -0.38 3.45 0.05 -0.21 0.42 116.97 120.86 1afo h TYR 93 Ca 0.18 0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.01 1afo h TYR 93 Cb 0.14 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 1afo h TYR 93 CO -0.14 0.11 0.16 0.78 -1.05 0.00 0.00 178.16 178.03 1afo h GLY 94 N 0.29 0.50 0.70 3.88 0.00 0.20 -1.11 103.07 107.54 1afo h GLY 94 Ca 0.15 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1afo h GLY 94 CO -0.14 0.07 0.18 -2.22 0.00 0.00 0.00 176.54 174.42 1afo h ILE 95 N 0.34 0.92 -0.45 2.60 2.04 0.37 -1.01 117.51 122.32 1afo h ILE 95 Ca 0.16 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1afo h ILE 95 Cb 0.10 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1afo h ILE 95 CO -0.14 0.07 0.19 -0.09 0.00 0.00 0.00 178.15 178.18 1afo h ARG 96 N 0.36 0.37 -0.44 2.37 2.43 -0.24 -0.86 114.38 118.38 1afo h ARG 96 Ca 0.19 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1afo h ARG 96 Cb 0.14 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1afo h ARG 96 CO -0.16 0.25 0.19 -0.09 -1.51 0.00 0.00 179.97 178.65 1afo h ARG 97 N 0.39 0.38 -0.42 0.20 1.12 -0.45 -2.01 114.38 113.58 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 29.99 1afo h ARG 97 CO -0.18 0.25 0.16 -0.07 -3.11 0.00 0.00 179.97 177.02 1afo h LEU 98 N 0.39 0.19 0.00 3.80 3.38 -0.22 -3.40 115.31 119.45 1afo h LEU 98 Ca 0.20 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1afo h LEU 98 Cb 0.14 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1afo h LEU 98 CO -0.17 0.15 0.00 2.30 0.09 0.00 0.00 178.44 180.81 1afo n ILE 99 N -4.99 0.00 -1.63 1.22 -5.35 -0.42 -5.03 119.36 103.16 1afo n ILE 99 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1afo n ILE 99 Cb 0.14 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 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 -4.65 -0.60 6.28 4.81 -1.09 -5.02 118.16 117.90 1afo n LYS 100 Ca 0.00 3.48 0.00 0.00 -0.87 0.00 0.00 58.31 60.92 1afo n LYS 100 Cb 0.00 -3.96 0.00 0.00 0.02 0.00 0.00 35.03 31.09 1afo n LYS 100 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20