#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhc n PRO 2 N 0.00 0.22 0.07 2.89 -0.02 -1.26 -4.90 135.00 132.00 1bhc n PRO 2 Ca 0.00 0.11 -0.04 0.00 -2.02 0.00 0.00 63.50 61.56 1bhc n PRO 2 Cb 0.00 -1.78 0.19 0.00 -0.02 0.00 0.00 33.50 31.89 1bhc n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bhc h ASP 3 N -0.50 0.34 -0.00 2.55 5.19 -2.03 -2.99 116.42 118.98 1bhc h ASP 3 Ca -0.45 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 1bhc h ASP 3 Cb 1.34 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 1bhc h ASP 3 CO 0.41 0.73 0.01 2.19 -3.12 0.00 0.00 179.24 179.46 1bhc h PHE 4 N 0.27 0.00 0.00 4.55 -5.15 -1.98 -0.64 116.94 113.99 1bhc h PHE 4 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1bhc h PHE 4 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.03 1bhc h PHE 4 CO 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.33 1bhc n LEU 6 N -1.80 0.83 -4.77 0.00 7.99 -0.25 -4.43 117.00 114.57 1bhc n LEU 6 Ca 0.01 -0.31 -0.37 0.00 -0.01 0.00 0.00 56.01 55.33 1bhc n LEU 6 Cb 0.08 -0.10 -0.01 0.00 -0.11 0.00 0.00 43.42 43.28 1bhc n LEU 6 CO 0.08 0.20 0.82 -1.61 -1.51 0.00 0.00 177.39 175.37 1bhc s GLU 7 N -2.98 3.69 0.64 3.23 2.02 -0.15 -4.92 118.70 120.23 1bhc s GLU 7 Ca 0.10 1.74 -0.11 0.00 0.02 0.00 0.00 54.97 56.71 1bhc s GLU 7 Cb 0.17 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 1bhc s GLU 7 CO 0.79 -0.60 1.05 -1.25 0.02 0.00 0.00 175.26 175.27 1bhc s PRO 8 N -2.81 3.42 0.41 0.39 0.04 -1.26 -4.87 135.00 130.33 1bhc s PRO 8 Ca 0.65 0.69 -0.26 0.00 0.04 0.00 0.00 61.00 62.12 1bhc s PRO 8 Cb -0.27 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 1bhc s PRO 8 CO 0.33 -0.68 1.37 -1.25 0.04 0.00 0.00 177.00 176.81 1bhc s PRO 9 N -5.22 3.91 -0.25 0.56 0.04 -1.26 -4.94 135.00 127.85 1bhc s PRO 9 Ca 0.56 2.32 0.02 0.00 0.04 0.00 0.00 61.00 63.93 1bhc s PRO 9 Cb -0.11 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.70 1bhc s PRO 9 CO 0.54 -0.59 -0.11 -0.47 0.04 0.00 0.00 177.00 176.40 1bhc s TYR 10 N -1.21 3.14 0.17 0.56 5.04 -1.26 -4.98 117.35 118.80 1bhc s TYR 10 Ca 0.57 -2.04 -0.06 0.00 -2.44 0.00 0.00 57.07 53.10 1bhc s TYR 10 Cb -0.41 -1.96 0.05 0.00 0.35 0.00 0.00 41.96 39.98 1bhc s TYR 10 CO 0.54 -0.84 1.48 1.15 -1.34 0.00 0.00 175.55 176.55 1bhc h THR 11 N 6.48 1.30 0.00 4.34 2.02 -1.95 -3.43 112.91 121.67 1bhc h THR 11 Ca -0.27 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1bhc h THR 11 Cb 1.07 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1bhc h THR 11 CO 0.52 0.55 0.00 0.61 0.37 0.00 0.00 175.52 177.57 1bhc n GLY 12 N 0.23 -0.61 0.25 2.16 0.00 -1.26 -0.56 105.19 105.40 1bhc n GLY 12 Ca -0.03 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.43 1bhc n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhc h PRO 13 N 0.00 0.00 -7.32 1.61 0.13 -1.92 -3.44 132.00 121.07 1bhc h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1bhc h PRO 13 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 1bhc h PRO 13 CO 0.00 0.05 0.26 0.00 -0.23 0.00 0.00 178.00 178.08 1bhc n LYS 15 N -3.82 0.85 -1.53 0.00 -0.00 -1.22 -4.53 118.16 107.91 1bhc n LYS 15 Ca 0.08 -0.56 -0.30 0.00 -0.00 0.00 0.00 58.31 57.52 1bhc n LYS 15 Cb 0.54 -1.49 0.08 0.00 -0.00 0.00 0.00 35.03 34.17 1bhc n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bhc s ALA 16 N -2.54 2.32 -0.55 0.58 0.00 0.06 -5.02 121.76 116.62 1bhc s ALA 16 Ca 0.22 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1bhc s ALA 16 Cb 0.19 -3.13 0.20 0.00 0.00 0.00 0.00 23.12 20.37 1bhc s ALA 16 CO 0.55 -1.63 0.49 0.54 0.00 0.00 0.00 175.76 175.71 1bhc n ARG 17 N -3.38 1.22 -4.04 0.00 1.74 -1.26 -3.89 116.66 107.05 1bhc n ARG 17 Ca 0.07 -3.88 -0.35 0.00 -0.77 0.00 0.00 57.85 52.93 1bhc n ARG 17 Cb 0.55 -1.90 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 1bhc n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bhc s ILE 18 N -1.09 5.04 0.02 0.55 1.09 -0.54 -4.89 121.20 121.37 1bhc s ILE 18 Ca 0.32 -0.12 -0.26 0.00 -1.10 0.00 0.00 60.65 59.48 1bhc s ILE 18 Cb 0.05 -3.24 -0.05 0.00 -1.06 0.00 0.00 42.46 38.16 1bhc s ILE 18 CO -0.14 0.49 0.83 -0.63 -0.10 0.00 0.00 174.94 175.38 1bhc s ILE 19 N -1.10 4.80 0.20 2.92 1.01 -1.26 0.99 121.20 128.76 1bhc s ILE 19 Ca 0.19 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1bhc s ILE 19 Cb -0.12 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1bhc s ILE 19 CO 0.09 0.28 0.09 -0.13 0.00 0.00 0.00 174.94 175.27 1bhc s ARG 20 N 0.40 1.20 0.14 2.79 1.81 -0.31 -4.88 118.95 120.08 1bhc s ARG 20 Ca 0.43 -1.62 0.07 0.00 -1.72 0.00 0.00 55.73 52.89 1bhc s ARG 20 Cb -0.20 0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.28 1bhc s ARG 20 CO 0.24 -0.30 -0.06 0.71 -0.68 0.00 0.00 175.30 175.21 1bhc s TYR 21 N -3.94 2.78 0.00 -0.53 2.02 -0.22 -1.10 117.35 116.35 1bhc s TYR 21 Ca 0.34 -0.15 -0.09 0.00 -0.37 0.00 0.00 57.07 56.79 1bhc s TYR 21 Cb 0.07 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.24 1bhc s TYR 21 CO 0.09 0.47 0.18 -0.59 -1.57 0.00 0.00 175.55 174.14 1bhc s PHE 22 N -1.46 -0.01 -0.17 2.71 -0.71 -0.28 -0.78 117.98 117.28 1bhc s PHE 22 Ca 0.24 -0.04 -0.27 0.00 -1.04 0.00 0.00 56.93 55.83 1bhc s PHE 22 Cb -0.10 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1bhc s PHE 22 CO 0.16 -0.32 0.90 -0.47 -1.34 0.00 0.00 175.22 174.14 1bhc s TYR 23 N -1.43 3.41 -0.68 3.49 5.04 -1.26 -0.95 117.35 124.97 1bhc s TYR 23 Ca -0.14 1.34 -0.16 0.00 -2.44 0.00 0.00 57.07 55.67 1bhc s TYR 23 Cb -0.07 -3.09 0.16 0.00 0.35 0.00 0.00 41.96 39.31 1bhc s TYR 23 CO 0.02 -0.29 0.67 1.21 -1.34 0.00 0.00 175.55 175.83 1bhc s ASN 24 N 1.17 6.43 0.23 4.32 3.84 0.43 -4.78 114.94 126.57 1bhc s ASN 24 Ca 0.41 -2.08 -0.07 0.00 0.21 0.00 0.00 52.86 51.33 1bhc s ASN 24 Cb -0.16 -2.24 0.37 0.00 -0.55 0.00 0.00 41.25 38.66 1bhc s ASN 24 CO 0.12 -0.81 1.72 0.00 -2.79 0.00 0.00 177.10 175.34 1bhc h ALA 25 N 8.53 0.88 -0.53 1.71 0.00 -1.82 0.57 119.26 128.60 1bhc h ALA 25 Ca -0.12 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bhc h ALA 25 Cb 1.07 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1bhc h ALA 25 CO 0.95 -0.24 0.29 0.87 0.00 0.00 0.00 179.25 181.11 1bhc h LYS 26 N 0.37 0.73 0.00 0.00 1.57 -1.95 -1.95 116.57 115.35 1bhc h LYS 26 Ca 0.36 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1bhc h LYS 26 Cb 0.52 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1bhc h LYS 26 CO -0.39 0.54 -0.95 0.00 -0.57 0.00 0.00 179.45 178.08 1bhc n ALA 27 N -2.46 3.12 -3.42 3.86 0.00 -0.71 -4.97 120.51 115.93 1bhc n ALA 27 Ca 0.05 -0.34 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 1bhc n ALA 27 Cb 0.10 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.60 1bhc n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bhc n GLY 28 N 1.33 -0.37 3.34 0.00 0.00 0.19 -5.00 105.19 104.67 1bhc n GLY 28 Ca 0.02 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1bhc n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bhc s LEU 29 N -6.45 0.28 0.04 0.99 1.98 -1.09 -5.00 118.68 109.42 1bhc s LEU 29 Ca 0.20 -0.10 -0.14 0.00 -2.89 0.00 0.00 54.13 51.19 1bhc s LEU 29 Cb -0.09 1.89 -0.06 0.00 0.66 0.00 0.00 46.19 48.59 1bhc s LEU 29 CO 0.69 -0.77 0.44 0.00 -1.89 0.00 0.00 176.35 174.83 1bhc s GLN 31 N -1.36 1.68 0.30 0.00 -0.21 -0.13 -4.92 119.66 115.03 1bhc s GLN 31 Ca 0.28 -1.98 0.02 0.00 0.02 0.00 0.00 55.36 53.70 1bhc s GLN 31 Cb -0.16 -0.27 -0.03 0.00 1.00 0.00 0.00 33.01 33.54 1bhc s GLN 31 CO 0.16 -0.44 0.47 0.95 -2.12 0.00 0.00 175.29 174.31 1bhc s THR 32 N -3.48 5.17 0.06 -0.19 -4.23 -1.26 -1.12 115.64 110.59 1bhc s THR 32 Ca 0.33 -0.63 -0.26 0.00 -1.18 0.00 0.00 61.69 59.95 1bhc s THR 32 Cb 0.05 -3.85 0.07 0.00 1.34 0.00 0.00 72.50 70.10 1bhc s THR 32 CO 0.17 -0.45 0.62 0.72 -0.54 0.00 0.00 174.62 175.14 1bhc s PHE 33 N -2.16 -0.57 -0.30 3.99 -0.71 -0.26 -4.89 117.98 113.08 1bhc s PHE 33 Ca 0.38 0.66 -0.23 0.00 -1.04 0.00 0.00 56.93 56.70 1bhc s PHE 33 Cb -0.10 0.47 -0.00 0.00 -1.21 0.00 0.00 43.02 42.18 1bhc s PHE 33 CO 0.33 -0.73 0.77 0.08 -1.34 0.00 0.00 175.22 174.33 1bhc s VAL 34 N -2.57 4.82 -0.13 -2.49 1.01 -1.26 -1.16 120.40 118.62 1bhc s VAL 34 Ca -0.05 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.98 1bhc s VAL 34 Cb -0.01 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1bhc s VAL 34 CO -0.02 -0.21 0.29 -0.47 0.00 0.00 0.00 175.10 174.69 1bhc s TYR 35 N 2.89 3.53 -0.55 5.22 5.04 0.28 -4.43 117.35 129.32 1bhc s TYR 35 Ca 0.32 0.66 0.25 0.00 -2.44 0.00 0.00 57.07 55.86 1bhc s TYR 35 Cb -0.14 -2.28 0.90 0.00 0.35 0.00 0.00 41.96 40.79 1bhc s TYR 35 CO 0.12 0.37 1.75 0.78 -1.34 0.00 0.00 175.55 177.23 1bhc h GLY 36 N 6.12 0.00 0.00 8.97 0.00 -0.94 -1.45 103.07 115.77 1bhc h GLY 36 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1bhc h GLY 36 CO 0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.86 1bhc n GLY 37 N 0.62 0.73 3.50 4.60 0.00 -1.26 -0.76 105.19 112.61 1bhc n GLY 37 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1bhc n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhc n ARG 39 N -0.38 -7.91 -1.94 0.00 3.00 -1.26 -4.45 116.66 103.73 1bhc n ARG 39 Ca -0.14 0.83 -0.35 0.00 -0.01 0.00 0.00 57.85 58.18 1bhc n ARG 39 Cb 0.64 -5.87 0.04 0.00 0.00 0.00 0.00 32.46 27.26 1bhc n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bhc s ALA 40 N -3.32 2.51 0.42 7.54 0.00 -1.26 -4.76 121.76 122.88 1bhc s ALA 40 Ca 0.56 0.87 0.08 0.00 0.00 0.00 0.00 51.96 53.46 1bhc s ALA 40 Cb -0.25 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1bhc s ALA 40 CO 0.73 -1.19 0.45 0.15 0.00 0.00 0.00 175.76 175.89 1bhc s LYS 41 N -3.54 2.61 0.36 0.00 1.02 -1.26 -5.04 119.74 113.89 1bhc s LYS 41 Ca 0.74 -1.46 0.04 0.00 0.02 0.00 0.00 55.97 55.31 1bhc s LYS 41 Cb -0.27 -2.50 0.68 0.00 -0.52 0.00 0.00 37.83 35.22 1bhc s LYS 41 CO 0.35 -0.24 1.99 0.00 -0.92 0.00 0.00 175.35 176.53 1bhc h ARG 42 N 0.88 0.79 -4.18 1.68 2.47 -1.97 -3.26 114.38 110.79 1bhc h ARG 42 Ca -0.41 -0.05 -0.72 0.00 -1.26 0.00 0.00 59.98 57.55 1bhc h ARG 42 Cb 1.27 -0.18 -0.08 0.00 -1.65 0.00 0.00 29.97 29.33 1bhc h ARG 42 CO 0.53 0.52 2.63 -1.71 0.56 0.00 0.00 179.97 182.51 1bhc n ASN 43 N -4.45 4.40 -3.21 7.04 5.15 -1.26 -4.73 115.26 118.19 1bhc n ASN 43 Ca 0.08 -2.93 -0.00 0.00 -0.60 0.00 0.00 54.58 51.13 1bhc n ASN 43 Cb 0.11 -1.62 -0.03 0.00 -0.53 0.00 0.00 39.78 37.71 1bhc n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bhc s ASN 44 N 2.74 -0.87 -0.11 1.20 3.84 -1.23 -4.64 114.94 115.87 1bhc s ASN 44 Ca 0.46 0.44 0.03 0.00 0.21 0.00 0.00 52.86 54.00 1bhc s ASN 44 Cb 0.11 1.78 -0.01 0.00 -0.55 0.00 0.00 41.25 42.58 1bhc s ASN 44 CO -0.04 -0.29 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.42 1bhc s PHE 45 N 2.75 2.64 0.27 0.43 0.08 0.04 -4.94 117.98 119.25 1bhc s PHE 45 Ca 0.16 -0.85 0.03 0.00 0.12 0.00 0.00 56.93 56.38 1bhc s PHE 45 Cb -0.14 -1.74 0.39 0.00 -0.57 0.00 0.00 43.02 40.95 1bhc s PHE 45 CO -0.22 -0.31 1.69 -0.22 -0.10 0.00 0.00 175.22 176.06 1bhc h LYS 46 N 6.61 0.44 -5.50 0.44 3.64 -1.92 -0.57 116.57 119.70 1bhc h LYS 46 Ca -0.23 -0.18 -0.65 0.00 -1.27 0.00 0.00 60.65 58.31 1bhc h LYS 46 Cb 1.22 -0.02 -0.22 0.00 -0.41 0.00 0.00 32.23 32.80 1bhc h LYS 46 CO 0.50 0.71 -0.70 0.45 -2.27 0.00 0.00 179.45 178.14 1bhc s SER 47 N -6.84 4.54 0.22 4.20 0.15 -1.26 -4.80 113.70 109.91 1bhc s SER 47 Ca -0.06 -0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.36 1bhc s SER 47 Cb 0.13 -1.59 0.19 0.00 -1.71 0.00 0.00 66.02 63.04 1bhc s SER 47 CO 0.79 0.21 1.73 0.00 1.20 0.00 0.00 173.24 177.18 1bhc h ALA 48 N 6.36 1.00 -0.69 5.45 0.00 -1.98 -2.48 119.26 126.92 1bhc h ALA 48 Ca -0.34 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.41 1bhc h ALA 48 Cb 1.19 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1bhc h ALA 48 CO 0.58 0.64 0.34 1.49 0.00 0.00 0.00 179.25 182.31 1bhc h GLU 49 N 0.99 0.58 -0.76 0.00 4.81 -1.98 -1.52 114.58 116.70 1bhc h GLU 49 Ca 0.20 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1bhc h GLU 49 Cb 0.40 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1bhc h GLU 49 CO 0.01 0.38 0.27 -0.44 -0.73 0.00 0.00 179.01 178.50 1bhc h ASP 50 N 0.60 1.07 0.41 1.04 3.32 -1.88 -2.31 116.42 118.66 1bhc h ASP 50 Ca 0.33 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1bhc h ASP 50 Cb 0.33 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1bhc h ASP 50 CO -0.25 0.97 -0.20 0.00 -1.72 0.00 0.00 179.24 178.03 1bhc h MET 52 N -0.58 0.00 0.13 0.00 2.86 -1.39 0.95 114.93 116.90 1bhc h MET 52 Ca -0.06 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.29 1bhc h MET 52 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1bhc h MET 52 CO 0.09 0.17 -1.39 -0.09 1.06 0.00 0.00 176.91 176.75 1bhc h ARG 53 N 0.00 0.27 0.16 1.72 2.43 -1.21 0.26 114.38 118.01 1bhc h ARG 53 Ca -0.00 -0.45 -0.30 0.00 -0.81 0.00 0.00 59.98 58.42 1bhc h ARG 53 Cb 0.44 0.17 0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1bhc h ARG 53 CO 0.02 1.17 -1.25 1.15 -1.51 0.00 0.00 179.97 179.55 1bhc h THR 54 N 0.07 1.31 0.00 0.20 2.02 -0.68 -3.39 112.91 112.44 1bhc h THR 54 Ca -0.19 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.46 1bhc h THR 54 Cb 2.00 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 71.27 1bhc h THR 54 CO 0.18 0.76 -1.50 0.00 0.37 0.00 0.00 175.52 175.33