#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbn s THR 2 N 0.00 3.73 -0.02 1.09 2.01 -1.26 -0.60 115.64 120.59 1cbn s THR 2 Ca 0.00 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1cbn s THR 2 Cb 0.00 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 1cbn s THR 2 CO 0.00 0.26 -0.08 0.00 -0.69 0.00 0.00 174.62 174.11 1cbn h PRO 5 N 4.33 0.00 -3.28 0.00 0.13 -1.79 -0.94 132.00 130.44 1cbn h PRO 5 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cbn h PRO 5 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 1cbn h PRO 5 CO 0.41 0.00 0.07 -1.54 -0.23 0.00 0.00 178.00 176.71 1cbn s SER 6 N -5.63 -0.23 0.10 1.44 1.04 -1.26 -4.65 113.70 104.51 1cbn s SER 6 Ca 0.06 -0.62 -0.21 0.00 0.48 0.00 0.00 55.95 55.66 1cbn s SER 6 Cb 0.08 0.63 -0.10 0.00 0.10 0.00 0.00 66.02 66.73 1cbn s SER 6 CO 0.61 -1.17 1.73 0.40 0.98 0.00 0.00 173.24 175.79 1cbn h ILE 7 N 2.14 1.06 -0.98 -1.02 1.08 -1.96 -2.26 117.51 115.56 1cbn h ILE 7 Ca -0.25 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.12 1cbn h ILE 7 Cb 1.26 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 35.86 1cbn h ILE 7 CO 0.32 0.05 0.64 1.62 -0.69 0.00 0.00 178.15 180.09 1cbn h VAL 8 N 0.15 1.15 -0.77 1.67 3.04 -1.99 0.07 116.25 119.57 1cbn h VAL 8 Ca 0.05 -0.42 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1cbn h VAL 8 Cb 0.02 -0.18 -0.04 0.00 -2.01 0.00 0.00 31.29 29.08 1cbn h VAL 8 CO -0.01 0.22 0.46 0.00 -1.01 0.00 0.00 177.57 177.23 1cbn h ALA 9 N 1.41 0.99 -0.38 3.17 0.00 -1.79 0.50 119.26 123.16 1cbn h ALA 9 Ca 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1cbn h ALA 9 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1cbn h ALA 9 CO -0.13 0.46 0.15 -0.09 0.00 0.00 0.00 179.25 179.64 1cbn h ARG 10 N 1.06 0.57 -0.85 0.00 9.65 -0.75 0.26 114.38 124.32 1cbn h ARG 10 Ca 0.28 -0.11 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1cbn h ARG 10 Cb -0.03 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 1cbn h ARG 10 CO -0.05 0.55 0.56 0.77 2.80 0.00 0.00 179.97 184.60 1cbn h SER 11 N 0.47 0.94 -0.35 -3.80 0.02 -0.60 -0.31 113.55 109.92 1cbn h SER 11 Ca 0.13 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 1cbn h SER 11 Cb 0.19 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1cbn h SER 11 CO -0.01 0.66 -0.13 0.78 -1.14 0.00 0.00 176.83 176.99 1cbn h ASN 12 N 1.11 0.80 -0.49 3.07 2.35 -0.71 -2.21 115.58 119.50 1cbn h ASN 12 Ca 0.33 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1cbn h ASN 12 Cb -0.06 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1cbn h ASN 12 CO -0.09 0.94 0.29 0.15 -1.65 0.00 0.00 177.43 177.07 1cbn h PHE 13 N 0.72 0.64 -0.31 1.19 3.04 -0.37 -0.49 116.94 121.36 1cbn h PHE 13 Ca 0.12 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 1cbn h PHE 13 Cb 0.63 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1cbn h PHE 13 CO 0.03 0.45 -0.13 -0.91 -2.02 0.00 0.00 178.31 175.74 1cbn h ASN 14 N 0.65 0.53 -0.28 0.41 2.35 -0.80 -0.77 115.58 117.66 1cbn h ASN 14 Ca 0.17 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1cbn h ASN 14 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1cbn h ASN 14 CO -0.03 0.69 -0.18 0.58 -1.65 0.00 0.00 177.43 176.84 1cbn h VAL 15 N 0.50 1.30 -0.95 2.81 2.07 -1.16 -2.96 116.25 117.85 1cbn h VAL 15 Ca 0.09 -1.29 0.16 0.00 0.82 0.00 0.00 66.70 66.48 1cbn h VAL 15 Cb 0.52 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1cbn h VAL 15 CO 0.03 0.41 0.60 0.00 0.02 0.00 0.00 177.57 178.64 1cbn h ARG 17 N 0.73 0.00 -0.69 0.00 2.47 -1.00 -3.34 114.38 112.55 1cbn h ARG 17 Ca 0.50 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 59.35 1cbn h ARG 17 Cb 0.81 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.03 1cbn h ARG 17 CO -0.27 0.11 0.22 -0.07 0.56 0.00 0.00 179.97 180.52 1cbn h LEU 18 N 0.00 0.13 0.00 3.04 3.38 -1.10 0.13 115.31 120.90 1cbn h LEU 18 Ca -0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1cbn h LEU 18 Cb 0.79 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1cbn h LEU 18 CO 0.01 0.05 0.00 -0.81 0.09 0.00 0.00 178.44 177.78 1cbn n PRO 19 N -5.07 0.25 0.00 1.13 -0.04 -1.26 -4.87 135.00 125.14 1cbn n PRO 19 Ca 0.12 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1cbn n PRO 19 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1cbn n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cbn n GLY 20 N 0.73 1.05 3.60 0.55 0.00 0.45 -5.07 105.19 106.51 1cbn n GLY 20 Ca 0.10 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.65 1cbn n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cbn n THR 21 N -1.66 1.10 0.00 2.61 -1.04 -1.25 -2.72 114.28 111.31 1cbn n THR 21 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1cbn n THR 21 Cb 0.00 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1cbn n THR 21 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1cbn n SER 22 N 1.91 0.00 0.00 8.00 2.88 -1.26 -3.05 113.62 122.10 1cbn n SER 22 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1cbn n SER 22 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1cbn n SER 22 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1cbn n PRO 22 N -0.81 0.00 -0.29 -1.46 -0.02 -1.10 -1.61 135.00 129.70 1cbn n PRO 22 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1cbn n PRO 22 Cb 0.00 0.00 0.34 0.00 -0.02 0.00 0.00 33.50 33.82 1cbn n PRO 22 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1cbn h GLU 23 N 0.00 0.76 -0.66 -0.52 5.08 -1.88 -1.52 114.58 115.84 1cbn h GLU 23 Ca 0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1cbn h GLU 23 Cb 0.00 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1cbn h GLU 23 CO 0.00 0.50 0.20 0.00 -1.00 0.00 0.00 179.01 178.71 1cbn h ALA 24 N 1.58 1.11 0.00 3.43 0.00 -1.73 0.21 119.26 123.86 1cbn h ALA 24 Ca 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1cbn h ALA 24 Cb 0.64 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1cbn h ALA 24 CO -0.22 0.61 0.00 -0.89 0.00 0.00 0.00 179.25 178.75 1cbn n ILE 25 N -4.26 0.00 0.00 0.00 5.41 -0.81 -2.32 119.36 117.37 1cbn n ILE 25 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1cbn n ILE 25 Cb 0.22 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 1cbn n ILE 25 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1cbn n LEU 25 N -1.00 0.00 0.20 1.39 4.77 -0.81 -1.36 117.00 120.19 1cbn n LEU 25 Ca 0.14 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1cbn n LEU 25 Cb 0.06 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.58 1cbn n LEU 25 CO 0.10 0.00 0.81 0.00 -1.33 0.00 0.00 177.39 176.97 1cbn h ALA 27 N 1.71 -0.74 0.00 0.00 0.00 -0.35 -1.80 119.26 118.09 1cbn h ALA 27 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1cbn h ALA 27 Cb 0.50 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1cbn h ALA 27 CO 0.04 -0.87 -0.19 1.79 0.00 0.00 0.00 179.25 180.02 1cbn h THR 28 N -0.83 0.93 -0.20 0.00 1.35 -1.35 0.44 112.91 113.25 1cbn h THR 28 Ca -0.08 -0.70 -0.11 0.00 -0.55 0.00 0.00 66.41 64.98 1cbn h THR 28 Cb 0.60 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1cbn h THR 28 CO 0.12 0.19 -0.33 0.22 -0.25 0.00 0.00 175.52 175.47 1cbn h TYR 29 N 0.00 0.47 0.00 4.73 3.20 0.05 -3.36 116.97 122.06 1cbn h TYR 29 Ca -0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1cbn h TYR 29 Cb 0.39 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1cbn h TYR 29 CO 0.00 0.70 -1.44 0.25 -1.64 0.00 0.00 178.16 176.02 1cbn n THR 30 N -4.07 0.00 -0.21 1.81 -2.24 -0.69 -5.00 114.28 103.87 1cbn n THR 30 Ca -0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1cbn n THR 30 Cb 0.45 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1cbn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cbn n GLY 31 N 1.62 1.05 3.62 3.38 0.00 0.11 -4.78 105.19 110.19 1cbn n GLY 31 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1cbn n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbn s ILE 33 N -2.78 0.62 -0.13 0.00 -4.36 0.18 -4.41 121.20 110.32 1cbn s ILE 33 Ca 0.66 -1.83 -0.01 0.00 -0.26 0.00 0.00 60.65 59.21 1cbn s ILE 33 Cb -0.21 -1.55 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 1cbn s ILE 33 CO 0.60 -0.84 -0.11 -0.63 0.24 0.00 0.00 174.94 174.20 1cbn s ILE 34 N -3.44 3.24 0.17 8.37 -1.09 -1.26 -1.05 121.20 126.14 1cbn s ILE 34 Ca 0.09 -0.60 0.08 0.00 -2.23 0.00 0.00 60.65 57.99 1cbn s ILE 34 Cb 0.04 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.51 1cbn s ILE 34 CO -0.05 0.52 -0.17 0.27 -1.23 0.00 0.00 174.94 174.28 1cbn s ILE 35 N 0.26 1.80 0.01 2.92 -4.36 0.23 -4.98 121.20 117.08 1cbn s ILE 35 Ca -0.08 -1.97 0.16 0.00 -0.26 0.00 0.00 60.65 58.50 1cbn s ILE 35 Cb -0.15 -1.87 0.06 0.00 1.25 0.00 0.00 42.46 41.74 1cbn s ILE 35 CO 0.05 -0.37 1.55 1.55 0.24 0.00 0.00 174.94 177.95 1cbn h PRO 36 N 3.12 0.00 0.00 0.37 0.13 -2.00 0.41 132.00 134.02 1cbn h PRO 36 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1cbn h PRO 36 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1cbn h PRO 36 CO 0.53 0.51 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1cbn n GLY 37 N 0.82 -0.35 0.08 1.56 0.00 -1.26 -4.49 105.19 101.56 1cbn n GLY 37 Ca 0.01 -1.77 0.01 0.00 0.00 0.00 0.00 46.02 44.27 1cbn n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbn n ALA 38 N -3.00 2.49 -3.67 4.61 0.00 -1.26 -1.68 120.51 117.99 1cbn n ALA 38 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 1cbn n ALA 38 Cb 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.25 1cbn n ALA 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cbn s THR 39 N -0.19 3.14 0.34 0.00 2.01 -1.26 -4.97 115.64 114.72 1cbn s THR 39 Ca 0.02 -1.66 -0.26 0.00 0.31 0.00 0.00 61.69 60.10 1cbn s THR 39 Cb 0.02 -2.96 -0.09 0.00 0.01 0.00 0.00 72.50 69.47 1cbn s THR 39 CO 0.03 -0.36 1.03 0.00 -0.69 0.00 0.00 174.62 174.62 1cbn s PRO 41 N -2.08 1.96 0.58 0.00 0.04 -1.26 -4.90 135.00 129.35 1cbn s PRO 41 Ca 0.52 0.37 0.36 0.00 0.04 0.00 0.00 61.00 62.28 1cbn s PRO 41 Cb -0.23 -1.93 1.78 0.00 0.04 0.00 0.00 34.50 34.16 1cbn s PRO 41 CO 0.30 -1.65 2.15 0.78 0.04 0.00 0.00 177.00 178.62 1cbn h GLY 42 N -1.10 0.00 -1.34 0.56 0.00 -1.99 -0.98 103.07 98.22 1cbn h GLY 42 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1cbn h GLY 42 CO 0.63 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.26 1cbn n ASP 43 N -3.26 2.35 -2.97 0.19 5.75 -1.26 -4.09 116.55 113.27 1cbn n ASP 43 Ca -0.01 -1.79 -0.20 0.00 -0.01 0.00 0.00 54.79 52.77 1cbn n ASP 43 Cb 0.20 -0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 1cbn n ASP 43 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1cbn n TYR 44 N 0.79 1.73 1.14 2.11 4.02 -0.38 -4.52 117.16 122.05 1cbn n TYR 44 Ca 0.17 -3.64 0.13 0.00 -0.01 0.00 0.00 57.90 54.56 1cbn n TYR 44 Cb 0.46 -0.40 0.47 0.00 -0.02 0.00 0.00 39.34 39.84 1cbn n TYR 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cbn n ALA 45 N 0.00 2.95 0.39 -0.72 0.00 -1.07 -3.87 120.51 118.20 1cbn n ALA 45 Ca 0.25 -0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.48 1cbn n ALA 45 Cb 0.61 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.82 1cbn n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59