#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 0.26 -0.07 2.89 -0.02 -1.26 -4.92 135.00 131.88 1bhc n PRO 2 Ca 0.00 0.14 -0.02 0.00 -2.02 0.00 0.00 63.50 61.60 1bhc n PRO 2 Cb 0.00 -2.05 0.22 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.59 0.65 0.10 2.55 5.19 -2.03 -2.82 116.42 119.47 1bhc h ASP 3 Ca -0.46 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 1bhc h ASP 3 Cb 1.33 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1bhc h ASP 3 CO 0.43 0.70 0.00 2.19 -3.12 0.00 0.00 179.24 179.44 1bhc h PHE 4 N 0.66 0.00 0.00 4.55 -5.15 -1.97 -1.32 116.94 113.70 1bhc h PHE 4 Ca 0.14 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.91 1bhc h PHE 4 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.54 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 -1.59 0.64 -4.77 0.00 7.99 -0.50 -4.44 117.00 114.33 1bhc n LEU 6 Ca 0.03 -0.05 -0.37 0.00 -0.01 0.00 0.00 56.01 55.60 1bhc n LEU 6 Cb 0.15 -0.14 -0.01 0.00 -0.11 0.00 0.00 43.42 43.31 1bhc n LEU 6 CO 0.12 0.09 0.84 -1.61 -1.51 0.00 0.00 177.39 175.32 1bhc s GLU 7 N -3.11 3.78 0.57 3.23 2.02 -0.71 -4.93 118.70 119.56 1bhc s GLU 7 Ca 0.07 1.82 -0.13 0.00 0.02 0.00 0.00 54.97 56.75 1bhc s GLU 7 Cb 0.15 -2.46 -0.06 0.00 0.10 0.00 0.00 34.13 31.87 1bhc s GLU 7 CO 0.77 -0.54 1.01 -1.25 0.02 0.00 0.00 175.26 175.27 1bhc s PRO 8 N -2.62 3.75 0.58 0.39 0.04 -1.26 -4.87 135.00 131.00 1bhc s PRO 8 Ca 0.63 0.84 -0.21 0.00 0.04 0.00 0.00 61.00 62.30 1bhc s PRO 8 Cb -0.30 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1bhc s PRO 8 CO 0.37 -0.44 1.33 -1.25 0.04 0.00 0.00 177.00 177.04 1bhc s PRO 9 N -4.69 2.97 -0.21 0.56 0.04 -1.26 -4.96 135.00 127.45 1bhc s PRO 9 Ca 0.57 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1bhc s PRO 9 Cb -0.11 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1bhc s PRO 9 CO 0.44 -1.29 -0.05 -0.47 0.04 0.00 0.00 177.00 175.67 1bhc s TYR 10 N -1.35 2.12 0.19 0.56 5.04 -1.26 -4.99 117.35 117.65 1bhc s TYR 10 Ca 0.75 -1.50 -0.02 0.00 -2.44 0.00 0.00 57.07 53.86 1bhc s TYR 10 Cb -0.39 -1.48 0.09 0.00 0.35 0.00 0.00 41.96 40.54 1bhc s TYR 10 CO 0.44 -0.72 1.47 1.15 -1.34 0.00 0.00 175.55 176.55 1bhc h THR 11 N 6.55 1.36 0.00 4.34 2.02 -1.96 -3.43 112.91 121.79 1bhc h THR 11 Ca -0.20 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1bhc h THR 11 Cb 1.09 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1bhc h THR 11 CO 0.41 0.61 0.00 0.61 0.37 0.00 0.00 175.52 177.52 1bhc n GLY 12 N 0.43 -1.33 0.25 2.16 0.00 -1.26 -0.17 105.19 105.27 1bhc n GLY 12 Ca -0.04 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 -7.30 1.61 0.13 -1.92 -3.43 132.00 121.09 1bhc h PRO 13 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1bhc h PRO 13 Cb 0.00 0.00 0.17 0.00 0.13 0.00 0.00 31.00 31.30 1bhc h PRO 13 CO 0.00 0.10 0.15 0.00 -0.23 0.00 0.00 178.00 178.02 1bhc n LYS 15 N -4.35 2.03 -1.50 0.00 -0.00 -1.20 -4.57 118.16 108.56 1bhc n LYS 15 Ca 0.05 -1.87 -0.29 0.00 -0.00 0.00 0.00 58.31 56.20 1bhc n LYS 15 Cb 0.56 -1.42 0.13 0.00 -0.00 0.00 0.00 35.03 34.30 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 -1.62 1.82 -0.48 0.58 0.00 0.30 -5.02 121.76 117.34 1bhc s ALA 16 Ca 0.27 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1bhc s ALA 16 Cb 0.18 -3.06 0.18 0.00 0.00 0.00 0.00 23.12 20.42 1bhc s ALA 16 CO 0.27 -2.20 0.41 0.54 0.00 0.00 0.00 175.76 174.77 1bhc n ARG 17 N -3.72 0.69 -4.30 0.00 1.74 -1.26 -4.11 116.66 105.69 1bhc n ARG 17 Ca 0.07 -3.53 -0.33 0.00 -0.77 0.00 0.00 57.85 53.28 1bhc n ARG 17 Cb 0.58 -1.79 -0.09 0.00 -1.02 0.00 0.00 32.46 30.14 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 -0.49 4.20 0.05 0.55 1.09 -0.66 -4.91 121.20 121.03 1bhc s ILE 18 Ca 0.32 -0.52 -0.25 0.00 -1.10 0.00 0.00 60.65 59.10 1bhc s ILE 18 Cb 0.04 -2.85 -0.06 0.00 -1.06 0.00 0.00 42.46 38.53 1bhc s ILE 18 CO -0.18 0.43 0.75 -0.63 -0.10 0.00 0.00 174.94 175.21 1bhc s ILE 19 N -1.04 4.72 0.26 2.92 1.01 -1.26 0.37 121.20 128.18 1bhc s ILE 19 Ca 0.18 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.45 1bhc s ILE 19 Cb -0.11 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1bhc s ILE 19 CO 0.09 0.38 0.13 -0.13 0.00 0.00 0.00 174.94 175.41 1bhc s ARG 20 N -0.14 1.43 0.16 2.79 1.81 -0.47 -4.89 118.95 119.65 1bhc s ARG 20 Ca 0.38 -1.79 0.09 0.00 -1.72 0.00 0.00 55.73 52.69 1bhc s ARG 20 Cb -0.20 -0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.21 1bhc s ARG 20 CO 0.23 -0.39 -0.11 0.71 -0.68 0.00 0.00 175.30 175.06 1bhc s TYR 21 N -3.80 2.62 0.02 -0.53 1.51 -0.09 -1.15 117.35 115.93 1bhc s TYR 21 Ca 0.37 -0.23 -0.08 0.00 -1.01 0.00 0.00 57.07 56.13 1bhc s TYR 21 Cb 0.06 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1bhc s TYR 21 CO 0.15 0.48 0.16 -0.59 -1.11 0.00 0.00 175.55 174.64 1bhc s PHE 22 N -1.57 0.06 -0.15 2.71 -0.71 -0.03 -0.81 117.98 117.49 1bhc s PHE 22 Ca 0.23 -0.22 -0.24 0.00 -1.04 0.00 0.00 56.93 55.66 1bhc s PHE 22 Cb -0.09 -0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.64 1bhc s PHE 22 CO 0.14 -0.35 0.77 -0.47 -1.34 0.00 0.00 175.22 173.97 1bhc s TYR 23 N -1.98 3.45 -0.60 3.49 5.04 -1.26 -0.40 117.35 125.09 1bhc s TYR 23 Ca -0.10 1.21 -0.15 0.00 -2.44 0.00 0.00 57.07 55.59 1bhc s TYR 23 Cb -0.04 -2.94 0.15 0.00 0.35 0.00 0.00 41.96 39.48 1bhc s TYR 23 CO -0.01 -0.15 0.56 1.21 -1.34 0.00 0.00 175.55 175.81 1bhc s ASN 24 N 1.09 6.30 0.23 4.32 3.84 0.17 -4.79 114.94 126.10 1bhc s ASN 24 Ca 0.37 -1.99 -0.06 0.00 0.21 0.00 0.00 52.86 51.38 1bhc s ASN 24 Cb -0.17 -2.20 0.37 0.00 -0.55 0.00 0.00 41.25 38.70 1bhc s ASN 24 CO 0.14 -0.79 1.76 0.00 -2.79 0.00 0.00 177.10 175.42 1bhc h ALA 25 N 8.63 0.99 -0.88 1.71 0.00 -1.81 0.25 119.26 128.14 1bhc h ALA 25 Ca -0.21 0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1bhc h ALA 25 Cb 1.09 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1bhc h ALA 25 CO 0.97 -0.11 0.54 0.87 0.00 0.00 0.00 179.25 181.52 1bhc h LYS 26 N 0.53 0.90 0.00 0.00 1.57 -1.94 -1.18 116.57 116.46 1bhc h LYS 26 Ca 0.37 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1bhc h LYS 26 Cb 0.45 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1bhc h LYS 26 CO -0.31 0.60 -0.65 0.00 -0.57 0.00 0.00 179.45 178.51 1bhc n ALA 27 N -2.36 3.77 -3.58 3.86 0.00 -0.94 -4.96 120.51 116.30 1bhc n ALA 27 Ca 0.14 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1bhc n ALA 27 Cb 0.24 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 1.48 -0.44 3.33 0.00 0.00 0.83 -4.99 105.19 105.40 1bhc n GLY 28 Ca 0.05 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.86 0.37 0.03 0.99 1.98 -1.03 -4.99 118.68 109.18 1bhc s LEU 29 Ca 0.29 0.00 -0.15 0.00 -2.89 0.00 0.00 54.13 51.38 1bhc s LEU 29 Cb -0.13 1.77 -0.06 0.00 0.66 0.00 0.00 46.19 48.42 1bhc s LEU 29 CO 0.75 -0.67 0.46 0.00 -1.89 0.00 0.00 176.35 174.99 1bhc s GLN 31 N -1.21 1.63 0.44 0.00 -0.21 0.47 -4.90 119.66 115.88 1bhc s GLN 31 Ca 0.27 -1.93 -0.00 0.00 0.02 0.00 0.00 55.36 53.71 1bhc s GLN 31 Cb -0.17 -0.34 -0.01 0.00 1.00 0.00 0.00 33.01 33.49 1bhc s GLN 31 CO 0.15 -0.39 0.66 0.95 -2.12 0.00 0.00 175.29 174.55 1bhc s THR 32 N -3.51 4.21 0.13 -0.19 -4.23 -1.26 -0.85 115.64 109.94 1bhc s THR 32 Ca 0.34 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 60.16 1bhc s THR 32 Cb 0.06 -3.56 0.07 0.00 1.34 0.00 0.00 72.50 70.41 1bhc s THR 32 CO 0.16 -0.40 0.66 0.72 -0.54 0.00 0.00 174.62 175.22 1bhc s PHE 33 N -2.54 -0.49 -0.31 3.99 -0.71 -0.30 -4.84 117.98 112.78 1bhc s PHE 33 Ca 0.47 0.29 -0.17 0.00 -1.04 0.00 0.00 56.93 56.48 1bhc s PHE 33 Cb -0.10 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 1bhc s PHE 33 CO 0.38 -0.80 0.45 0.08 -1.34 0.00 0.00 175.22 173.99 1bhc s VAL 34 N -3.63 5.10 -0.08 -2.49 1.01 -1.26 -1.37 120.40 117.67 1bhc s VAL 34 Ca 0.02 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 1bhc s VAL 34 Cb -0.01 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1bhc s VAL 34 CO -0.12 -0.02 0.28 -0.47 0.00 0.00 0.00 175.10 174.76 1bhc s TYR 35 N 2.23 3.62 -0.77 5.22 5.04 0.16 -4.40 117.35 128.45 1bhc s TYR 35 Ca 0.17 0.72 0.26 0.00 -2.44 0.00 0.00 57.07 55.78 1bhc s TYR 35 Cb -0.16 -2.16 0.91 0.00 0.35 0.00 0.00 41.96 40.90 1bhc s TYR 35 CO 0.11 0.59 1.79 0.41 -1.34 0.00 0.00 175.55 177.11 1bhc n GLY 36 N 2.24 -1.60 0.00 8.97 0.00 0.77 -1.65 105.19 113.92 1bhc n GLY 36 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1bhc n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhc n GLY 37 N 1.17 0.78 3.45 -0.02 0.00 -1.26 -0.54 105.19 108.77 1bhc n GLY 37 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.35 -5.60 -2.03 0.00 3.00 -1.26 -4.45 116.66 105.97 1bhc n ARG 39 Ca -0.15 0.64 -0.36 0.00 -0.01 0.00 0.00 57.85 57.97 1bhc n ARG 39 Cb 0.64 -5.43 0.03 0.00 0.00 0.00 0.00 32.46 27.70 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 -3.43 2.57 0.54 7.54 0.00 -1.26 -4.80 121.76 122.92 1bhc s ALA 40 Ca 0.41 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.46 1bhc s ALA 40 Cb -0.20 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.53 1bhc s ALA 40 CO 0.81 -1.13 0.63 0.15 0.00 0.00 0.00 175.76 176.22 1bhc s LYS 41 N -3.29 2.35 0.32 0.00 1.02 -1.26 -5.04 119.74 113.84 1bhc s LYS 41 Ca 0.77 -1.71 0.02 0.00 0.02 0.00 0.00 55.97 55.07 1bhc s LYS 41 Cb -0.30 -2.48 0.54 0.00 -0.52 0.00 0.00 37.83 35.06 1bhc s LYS 41 CO 0.33 -0.69 1.86 0.00 -0.92 0.00 0.00 175.35 175.93 1bhc h ARG 42 N 0.45 0.63 -3.85 1.68 2.47 -1.97 -3.30 114.38 110.49 1bhc h ARG 42 Ca -0.34 -0.13 -0.73 0.00 -1.26 0.00 0.00 59.98 57.53 1bhc h ARG 42 Cb 1.29 -0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 29.43 1bhc h ARG 42 CO 0.47 0.62 2.64 -1.71 0.56 0.00 0.00 179.97 182.55 1bhc n ASN 43 N -4.28 4.41 -3.25 7.04 5.15 -1.26 -4.75 115.26 118.32 1bhc n ASN 43 Ca 0.02 -2.95 -0.03 0.00 -0.60 0.00 0.00 54.58 51.02 1bhc n ASN 43 Cb 0.24 -1.59 -0.04 0.00 -0.53 0.00 0.00 39.78 37.85 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 2.27 -0.57 -0.09 1.20 3.84 -1.24 -4.68 114.94 115.66 1bhc s ASN 44 Ca 0.44 0.50 0.05 0.00 0.21 0.00 0.00 52.86 54.06 1bhc s ASN 44 Cb 0.12 1.64 -0.00 0.00 -0.55 0.00 0.00 41.25 42.45 1bhc s ASN 44 CO -0.05 -0.28 -0.24 -0.36 -2.79 0.00 0.00 177.10 173.38 1bhc s PHE 45 N 2.70 2.53 0.27 0.43 0.40 0.01 -4.93 117.98 119.39 1bhc s PHE 45 Ca 0.16 -0.95 0.07 0.00 -0.60 0.00 0.00 56.93 55.61 1bhc s PHE 45 Cb -0.15 -1.68 0.34 0.00 0.51 0.00 0.00 43.02 42.04 1bhc s PHE 45 CO -0.19 -0.36 1.61 -0.22 0.70 0.00 0.00 175.22 176.76 1bhc h LYS 46 N 6.53 0.14 -5.50 0.44 3.64 -1.93 -0.20 116.57 119.68 1bhc h LYS 46 Ca -0.23 -0.09 -0.66 0.00 -1.27 0.00 0.00 60.65 58.40 1bhc h LYS 46 Cb 1.22 0.01 -0.27 0.00 -0.41 0.00 0.00 32.23 32.79 1bhc h LYS 46 CO 0.47 0.67 -0.77 0.45 -2.27 0.00 0.00 179.45 178.00 1bhc s SER 47 N -6.88 3.96 0.19 4.20 0.15 -1.26 -4.80 113.70 109.26 1bhc s SER 47 Ca -0.03 -0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.19 1bhc s SER 47 Cb 0.13 -1.46 0.11 0.00 -1.71 0.00 0.00 66.02 63.08 1bhc s SER 47 CO 0.78 0.20 1.82 0.00 1.20 0.00 0.00 173.24 177.24 1bhc h ALA 48 N 6.45 0.83 -0.75 5.45 0.00 -1.98 -2.09 119.26 127.18 1bhc h ALA 48 Ca -0.29 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.66 1bhc h ALA 48 Cb 1.20 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1bhc h ALA 48 CO 0.54 0.31 0.34 1.49 0.00 0.00 0.00 179.25 181.93 1bhc h GLU 49 N 0.88 0.51 -0.29 0.00 4.81 -1.98 0.27 114.58 118.77 1bhc h GLU 49 Ca 0.23 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1bhc h GLU 49 Cb -0.02 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1bhc h GLU 49 CO -0.04 0.34 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.91 1bhc h ASP 50 N 0.52 0.55 0.26 1.04 3.32 -1.84 -2.27 116.42 118.01 1bhc h ASP 50 Ca 0.40 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1bhc h ASP 50 Cb 0.54 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1bhc h ASP 50 CO -0.35 0.77 -0.12 0.00 -1.72 0.00 0.00 179.24 177.82 1bhc h MET 52 N -0.44 0.00 0.15 0.00 2.86 -1.23 -0.35 114.93 115.92 1bhc h MET 52 Ca -0.04 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.30 1bhc h MET 52 Cb 0.33 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.02 1bhc h MET 52 CO 0.06 0.25 -1.29 -0.09 1.06 0.00 0.00 176.91 176.90 1bhc h ARG 53 N 0.00 0.52 0.09 1.72 2.43 -1.33 0.28 114.38 118.09 1bhc h ARG 53 Ca -0.00 -0.77 -0.26 0.00 -0.81 0.00 0.00 59.98 58.14 1bhc h ARG 53 Cb 0.51 0.27 0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1bhc h ARG 53 CO 0.03 1.35 -1.06 1.15 -1.51 0.00 0.00 179.97 179.94 1bhc h THR 54 N 0.20 1.34 0.00 0.20 2.02 -1.05 -3.38 112.91 112.23 1bhc h THR 54 Ca -0.19 -2.37 -0.03 0.00 0.77 0.00 0.00 66.41 64.59 1bhc h THR 54 Cb 1.97 2.71 -0.00 0.00 -1.74 0.00 0.00 68.15 71.09 1bhc h THR 54 CO 0.24 0.71 -1.62 0.00 0.37 0.00 0.00 175.52 175.22