#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 0.54 0.21 2.89 -0.02 -1.26 -4.90 135.00 132.46 1bhc n PRO 2 Ca 0.00 0.23 0.05 0.00 -2.02 0.00 0.00 63.50 61.76 1bhc n PRO 2 Cb 0.00 -2.04 0.44 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.05 0.00 0.36 2.55 5.19 -2.03 -2.54 116.42 119.89 1bhc h ASP 3 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1bhc h ASP 3 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1bhc h ASP 3 CO 0.47 0.30 0.00 2.19 -3.12 0.00 0.00 179.24 179.08 1bhc h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -0.47 116.94 113.89 1bhc h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1bhc h PHE 4 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.76 1bhc h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1bhc n LEU 6 N -1.45 0.61 -4.76 0.00 7.99 -0.19 -4.42 117.00 114.78 1bhc n LEU 6 Ca 0.03 -0.02 -0.38 0.00 -0.01 0.00 0.00 56.01 55.63 1bhc n LEU 6 Cb 0.10 -0.09 0.01 0.00 -0.11 0.00 0.00 43.42 43.33 1bhc n LEU 6 CO 0.08 0.04 0.88 -1.61 -1.51 0.00 0.00 177.39 175.28 1bhc s GLU 7 N -3.21 3.58 0.59 3.23 2.02 -0.53 -4.91 118.70 119.47 1bhc s GLU 7 Ca 0.03 1.94 -0.10 0.00 0.02 0.00 0.00 54.97 56.86 1bhc s GLU 7 Cb 0.14 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1bhc s GLU 7 CO 0.80 -0.74 0.98 -1.25 0.02 0.00 0.00 175.26 175.07 1bhc s PRO 8 N -2.73 3.60 0.35 0.39 0.04 -1.26 -4.88 135.00 130.52 1bhc s PRO 8 Ca 0.65 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.05 1bhc s PRO 8 Cb -0.33 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 1bhc s PRO 8 CO 0.40 -0.48 1.48 -1.25 0.04 0.00 0.00 177.00 177.19 1bhc s PRO 9 N -5.03 4.15 -0.24 0.56 0.04 -1.26 -4.96 135.00 128.26 1bhc s PRO 9 Ca 0.54 2.52 0.01 0.00 0.04 0.00 0.00 61.00 64.11 1bhc s PRO 9 Cb -0.11 -2.99 0.04 0.00 0.04 0.00 0.00 34.50 31.48 1bhc s PRO 9 CO 0.51 -0.50 -0.11 -0.47 0.04 0.00 0.00 177.00 176.46 1bhc s TYR 10 N -0.91 3.12 0.22 0.56 5.04 -1.26 -4.98 117.35 119.14 1bhc s TYR 10 Ca 0.54 -2.00 0.00 0.00 -2.44 0.00 0.00 57.07 53.17 1bhc s TYR 10 Cb -0.46 -1.96 0.20 0.00 0.35 0.00 0.00 41.96 40.09 1bhc s TYR 10 CO 0.59 -0.83 1.55 1.15 -1.34 0.00 0.00 175.55 176.67 1bhc h THR 11 N 6.44 1.33 0.00 4.34 2.02 -1.96 -3.43 112.91 121.66 1bhc h THR 11 Ca -0.28 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1bhc h THR 11 Cb 1.08 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1bhc h THR 11 CO 0.53 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.57 1bhc n GLY 12 N 0.17 -1.18 0.20 2.16 0.00 -1.26 -0.31 105.19 104.97 1bhc n GLY 12 Ca -0.03 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.45 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 -7.25 1.61 0.13 -1.92 -3.43 132.00 121.13 1bhc h PRO 13 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1bhc h PRO 13 Cb 0.00 0.00 0.18 0.00 0.13 0.00 0.00 31.00 31.31 1bhc h PRO 13 CO 0.00 0.31 0.16 0.00 -0.23 0.00 0.00 178.00 178.24 1bhc n LYS 15 N -4.34 1.35 -1.42 0.00 -0.00 -1.18 -4.52 118.16 108.05 1bhc n LYS 15 Ca 0.07 -1.09 -0.30 0.00 -0.00 0.00 0.00 58.31 56.99 1bhc n LYS 15 Cb 0.54 -1.48 0.11 0.00 -0.00 0.00 0.00 35.03 34.21 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 -2.40 1.92 -0.54 0.58 0.00 -0.27 -5.01 121.76 116.04 1bhc s ALA 16 Ca 0.21 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.03 1bhc s ALA 16 Cb 0.19 -3.13 0.21 0.00 0.00 0.00 0.00 23.12 20.39 1bhc s ALA 16 CO 0.52 -2.03 0.53 0.54 0.00 0.00 0.00 175.76 175.32 1bhc n ARG 17 N -3.64 1.35 -3.95 0.00 1.74 -1.26 -3.95 116.66 106.95 1bhc n ARG 17 Ca 0.07 -3.91 -0.37 0.00 -0.77 0.00 0.00 57.85 52.87 1bhc n ARG 17 Cb 0.56 -1.87 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.30 5.35 0.18 0.55 1.09 -0.58 -4.89 121.20 121.60 1bhc s ILE 18 Ca 0.33 0.14 -0.28 0.00 -1.10 0.00 0.00 60.65 59.74 1bhc s ILE 18 Cb 0.08 -3.32 -0.08 0.00 -1.06 0.00 0.00 42.46 38.08 1bhc s ILE 18 CO -0.12 0.61 0.89 -0.63 -0.10 0.00 0.00 174.94 175.59 1bhc s ILE 19 N -1.02 4.29 0.22 2.92 1.01 -1.26 0.84 121.20 128.22 1bhc s ILE 19 Ca 0.15 1.95 -0.01 0.00 0.00 0.00 0.00 60.65 62.74 1bhc s ILE 19 Cb -0.12 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1bhc s ILE 19 CO 0.04 0.45 0.19 -0.13 0.00 0.00 0.00 174.94 175.49 1bhc s ARG 20 N -0.82 1.32 0.06 2.79 1.81 -0.18 -4.87 118.95 119.06 1bhc s ARG 20 Ca 0.41 -1.66 0.07 0.00 -1.72 0.00 0.00 55.73 52.83 1bhc s ARG 20 Cb -0.24 0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 1bhc s ARG 20 CO 0.29 -0.45 -0.16 0.71 -0.68 0.00 0.00 175.30 175.01 1bhc s TYR 21 N -4.03 2.60 0.04 -0.53 2.02 -0.33 -0.99 117.35 116.13 1bhc s TYR 21 Ca 0.38 -0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.85 1bhc s TYR 21 Cb 0.06 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1bhc s TYR 21 CO 0.14 0.30 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.80 1bhc s PHE 22 N -1.00 0.42 -0.22 2.71 -0.71 0.20 -0.45 117.98 118.93 1bhc s PHE 22 Ca 0.16 -0.75 -0.24 0.00 -1.04 0.00 0.00 56.93 55.06 1bhc s PHE 22 Cb -0.11 -0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 41.40 1bhc s PHE 22 CO 0.07 -0.25 0.81 -0.47 -1.34 0.00 0.00 175.22 174.04 1bhc s TYR 23 N -2.49 3.35 -0.75 3.49 5.04 -1.26 -0.77 117.35 123.95 1bhc s TYR 23 Ca -0.05 1.14 -0.17 0.00 -2.44 0.00 0.00 57.07 55.55 1bhc s TYR 23 Cb -0.02 -3.01 0.15 0.00 0.35 0.00 0.00 41.96 39.42 1bhc s TYR 23 CO -0.04 -0.33 0.83 1.21 -1.34 0.00 0.00 175.55 175.87 1bhc s ASN 24 N 1.28 6.48 0.23 4.32 3.84 0.12 -4.77 114.94 126.44 1bhc s ASN 24 Ca 0.35 -1.99 -0.07 0.00 0.21 0.00 0.00 52.86 51.36 1bhc s ASN 24 Cb -0.16 -2.30 0.39 0.00 -0.55 0.00 0.00 41.25 38.63 1bhc s ASN 24 CO 0.09 -0.93 1.68 0.00 -2.79 0.00 0.00 177.10 175.15 1bhc h ALA 25 N 8.66 0.81 -1.01 1.71 0.00 -1.82 0.78 119.26 128.39 1bhc h ALA 25 Ca -0.05 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1bhc h ALA 25 Cb 1.06 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1bhc h ALA 25 CO 0.99 -0.35 0.65 0.87 0.00 0.00 0.00 179.25 181.41 1bhc h LYS 26 N 0.22 1.17 0.00 0.00 1.57 -1.94 -1.47 116.57 116.11 1bhc h LYS 26 Ca 0.37 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1bhc h LYS 26 Cb 0.62 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1bhc h LYS 26 CO -0.51 0.77 -0.82 0.00 -0.57 0.00 0.00 179.45 178.32 1bhc n ALA 27 N -2.37 3.20 -3.57 3.86 0.00 -0.68 -4.96 120.51 115.99 1bhc n ALA 27 Ca 0.15 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1bhc n ALA 27 Cb 0.17 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 1.36 -0.43 3.33 0.00 0.00 0.26 -4.99 105.19 104.72 1bhc n GLY 28 Ca 0.03 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.84 0.37 0.03 0.99 1.98 -1.09 -5.00 118.68 109.13 1bhc s LEU 29 Ca 0.28 -0.03 -0.15 0.00 -2.89 0.00 0.00 54.13 51.34 1bhc s LEU 29 Cb -0.13 1.77 -0.06 0.00 0.66 0.00 0.00 46.19 48.44 1bhc s LEU 29 CO 0.75 -0.69 0.45 0.00 -1.89 0.00 0.00 176.35 174.97 1bhc s GLN 31 N -1.19 1.65 0.32 0.00 -0.21 0.05 -4.91 119.66 115.36 1bhc s GLN 31 Ca 0.26 -1.95 0.02 0.00 0.02 0.00 0.00 55.36 53.71 1bhc s GLN 31 Cb -0.17 -0.30 -0.03 0.00 1.00 0.00 0.00 33.01 33.51 1bhc s GLN 31 CO 0.15 -0.41 0.50 0.95 -2.12 0.00 0.00 175.29 174.36 1bhc s THR 32 N -3.51 5.06 0.17 -0.19 -4.23 -1.26 -0.63 115.64 111.05 1bhc s THR 32 Ca 0.34 -0.64 -0.21 0.00 -1.18 0.00 0.00 61.69 59.99 1bhc s THR 32 Cb 0.05 -3.83 0.06 0.00 1.34 0.00 0.00 72.50 70.12 1bhc s THR 32 CO 0.16 -0.47 0.57 0.72 -0.54 0.00 0.00 174.62 175.06 1bhc s PHE 33 N -2.22 -0.42 -0.29 3.99 -0.71 -0.16 -4.88 117.98 113.29 1bhc s PHE 33 Ca 0.39 0.16 -0.17 0.00 -1.04 0.00 0.00 56.93 56.27 1bhc s PHE 33 Cb -0.09 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 1bhc s PHE 33 CO 0.34 -0.86 0.46 0.08 -1.34 0.00 0.00 175.22 173.90 1bhc s VAL 34 N -3.78 5.10 -0.13 -2.49 1.01 -1.26 -1.01 120.40 117.84 1bhc s VAL 34 Ca 0.03 0.58 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 1bhc s VAL 34 Cb -0.01 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1bhc s VAL 34 CO -0.10 0.02 0.21 -0.47 0.00 0.00 0.00 175.10 174.75 1bhc s TYR 35 N 2.23 3.54 -0.89 5.22 5.04 0.25 -4.45 117.35 128.29 1bhc s TYR 35 Ca 0.18 0.56 0.25 0.00 -2.44 0.00 0.00 57.07 55.61 1bhc s TYR 35 Cb -0.16 -2.13 1.00 0.00 0.35 0.00 0.00 41.96 41.02 1bhc s TYR 35 CO 0.11 0.51 1.78 0.41 -1.34 0.00 0.00 175.55 177.02 1bhc n GLY 36 N 2.64 -1.42 0.00 8.97 0.00 0.57 -1.52 105.19 114.43 1bhc n GLY 36 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.01 1.02 3.30 -0.02 0.00 -1.26 -1.11 105.19 108.13 1bhc n GLY 37 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.19 -5.55 -2.10 0.00 3.00 -1.26 -4.42 116.66 106.15 1bhc n ARG 39 Ca -0.15 0.67 -0.35 0.00 -0.01 0.00 0.00 57.85 58.01 1bhc n ARG 39 Cb 0.63 -5.41 0.02 0.00 0.00 0.00 0.00 32.46 27.71 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 -3.53 2.60 0.44 7.54 0.00 -1.26 -4.78 121.76 122.77 1bhc s ALA 40 Ca 0.14 0.86 0.08 0.00 0.00 0.00 0.00 51.96 53.04 1bhc s ALA 40 Cb -0.07 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1bhc s ALA 40 CO 0.79 -0.99 0.48 0.15 0.00 0.00 0.00 175.76 176.19 1bhc s LYS 41 N -3.41 2.58 0.37 0.00 1.02 -1.26 -5.04 119.74 114.01 1bhc s LYS 41 Ca 0.74 -1.49 0.04 0.00 0.02 0.00 0.00 55.97 55.28 1bhc s LYS 41 Cb -0.26 -2.50 0.71 0.00 -0.52 0.00 0.00 37.83 35.26 1bhc s LYS 41 CO 0.31 -0.31 2.02 0.00 -0.92 0.00 0.00 175.35 176.44 1bhc h ARG 42 N 0.80 0.74 -3.66 1.68 2.47 -1.97 -3.26 114.38 111.18 1bhc h ARG 42 Ca -0.40 -0.04 -0.72 0.00 -1.26 0.00 0.00 59.98 57.56 1bhc h ARG 42 Cb 1.28 -0.17 -0.07 0.00 -1.65 0.00 0.00 29.97 29.36 1bhc h ARG 42 CO 0.52 0.49 2.90 -1.71 0.56 0.00 0.00 179.97 182.73 1bhc n ASN 43 N -4.45 5.05 -3.33 7.04 5.15 -1.26 -4.73 115.26 118.72 1bhc n ASN 43 Ca 0.06 -2.90 -0.06 0.00 -0.60 0.00 0.00 54.58 51.09 1bhc n ASN 43 Cb 0.08 -1.58 -0.06 0.00 -0.53 0.00 0.00 39.78 37.68 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 2.28 -0.23 -0.07 1.20 3.84 -1.23 -4.61 114.94 116.11 1bhc s ASN 44 Ca 0.48 0.47 0.05 0.00 0.21 0.00 0.00 52.86 54.08 1bhc s ASN 44 Cb 0.14 1.42 -0.01 0.00 -0.55 0.00 0.00 41.25 42.25 1bhc s ASN 44 CO -0.06 -0.28 -0.25 -0.36 -2.79 0.00 0.00 177.10 173.36 1bhc s PHE 45 N 2.64 2.46 0.18 0.43 0.08 0.40 -4.95 117.98 119.22 1bhc s PHE 45 Ca 0.13 -0.82 -0.01 0.00 0.12 0.00 0.00 56.93 56.36 1bhc s PHE 45 Cb -0.15 -1.62 0.06 0.00 -0.57 0.00 0.00 43.02 40.74 1bhc s PHE 45 CO -0.17 -0.28 1.44 -0.22 -0.10 0.00 0.00 175.22 175.89 1bhc h LYS 46 N 6.27 0.38 -5.52 0.44 3.64 -1.93 -0.87 116.57 118.97 1bhc h LYS 46 Ca -0.28 -0.32 -0.65 0.00 -1.27 0.00 0.00 60.65 58.14 1bhc h LYS 46 Cb 1.20 0.07 -0.20 0.00 -0.41 0.00 0.00 32.23 32.88 1bhc h LYS 46 CO 0.47 0.96 -0.66 0.45 -2.27 0.00 0.00 179.45 178.40 1bhc s SER 47 N -6.97 4.89 0.23 4.20 0.15 -1.26 -4.79 113.70 110.14 1bhc s SER 47 Ca -0.05 -0.06 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 1bhc s SER 47 Cb 0.10 -1.66 0.20 0.00 -1.71 0.00 0.00 66.02 62.96 1bhc s SER 47 CO 0.84 0.23 1.79 0.00 1.20 0.00 0.00 173.24 177.30 1bhc h ALA 48 N 6.25 1.08 -0.38 5.45 0.00 -1.98 -2.45 119.26 127.24 1bhc h ALA 48 Ca -0.37 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.40 1bhc h ALA 48 Cb 1.19 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1bhc h ALA 48 CO 0.60 0.65 0.09 1.49 0.00 0.00 0.00 179.25 182.09 1bhc h GLU 49 N 1.12 0.22 -0.37 0.00 4.81 -1.99 -1.45 114.58 116.92 1bhc h GLU 49 Ca 0.26 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1bhc h GLU 49 Cb 0.22 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1bhc h GLU 49 CO -0.02 0.14 0.05 -0.44 -0.73 0.00 0.00 179.01 178.02 1bhc h ASP 50 N 0.22 0.52 0.54 1.04 3.32 -1.89 -1.87 116.42 118.30 1bhc h ASP 50 Ca 0.18 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1bhc h ASP 50 Cb 0.19 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1bhc h ASP 50 CO -0.22 0.56 -0.26 0.00 -1.72 0.00 0.00 179.24 177.60 1bhc h MET 52 N -0.81 0.00 0.16 0.00 2.86 -1.27 -0.10 114.93 115.77 1bhc h MET 52 Ca -0.07 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.27 1bhc h MET 52 Cb 0.59 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1bhc h MET 52 CO 0.12 0.19 -1.36 -0.09 1.06 0.00 0.00 176.91 176.83 1bhc h ARG 53 N 0.00 0.34 0.02 1.72 2.43 -1.23 0.52 114.38 118.18 1bhc h ARG 53 Ca -0.00 -0.59 -0.15 0.00 -0.81 0.00 0.00 59.98 58.43 1bhc h ARG 53 Cb 0.34 0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1bhc h ARG 53 CO 0.02 1.27 -0.61 1.15 -1.51 0.00 0.00 179.97 180.29 1bhc h THR 54 N 0.09 1.45 0.00 0.20 2.02 -0.85 -3.40 112.91 112.43 1bhc h THR 54 Ca -0.19 -2.14 -0.10 0.00 0.77 0.00 0.00 66.41 64.76 1bhc h THR 54 Cb 2.03 2.70 -0.02 0.00 -1.74 0.00 0.00 68.15 71.13 1bhc h THR 54 CO 0.22 0.62 -1.92 0.00 0.37 0.00 0.00 175.52 174.80