#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 0.51 0.14 2.89 -0.02 -1.26 -4.90 135.00 132.36 1bhc n PRO 2 Ca 0.00 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.72 1bhc n PRO 2 Cb 0.00 -1.97 0.37 0.00 -0.02 0.00 0.00 33.50 31.88 1bhc n PRO 2 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1bhc h ASP 3 N -0.06 0.15 0.05 2.55 3.58 -2.03 -2.72 116.42 117.94 1bhc h ASP 3 Ca -0.47 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 1bhc h ASP 3 Cb 1.36 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 1bhc h ASP 3 CO 0.46 0.39 -0.00 2.19 -2.88 0.00 0.00 179.24 179.40 1bhc h PHE 4 N 0.15 0.00 0.00 0.28 -5.15 -1.98 -0.74 116.94 109.50 1bhc h PHE 4 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 1bhc h PHE 4 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 1bhc h PHE 4 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.32 1bhc n LEU 6 N -1.35 0.80 -4.77 0.00 7.99 -0.28 -4.44 117.00 114.94 1bhc n LEU 6 Ca 0.04 -0.32 -0.38 0.00 -0.01 0.00 0.00 56.01 55.33 1bhc n LEU 6 Cb 0.08 -0.05 -0.02 0.00 -0.11 0.00 0.00 43.42 43.31 1bhc n LEU 6 CO 0.07 0.19 0.82 -1.61 -1.51 0.00 0.00 177.39 175.35 1bhc s GLU 7 N -3.06 4.02 0.62 3.23 2.02 -0.40 -4.93 118.70 120.21 1bhc s GLU 7 Ca 0.07 1.78 -0.12 0.00 0.02 0.00 0.00 54.97 56.72 1bhc s GLU 7 Cb 0.16 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 1bhc s GLU 7 CO 0.84 -0.33 1.03 -1.25 0.02 0.00 0.00 175.26 175.57 1bhc s PRO 8 N -2.39 3.48 0.47 0.39 0.04 -1.26 -4.86 135.00 130.87 1bhc s PRO 8 Ca 0.58 0.86 -0.24 0.00 0.04 0.00 0.00 61.00 62.24 1bhc s PRO 8 Cb -0.29 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 1bhc s PRO 8 CO 0.36 -0.67 1.36 -1.25 0.04 0.00 0.00 177.00 176.85 1bhc s PRO 9 N -4.91 3.59 -0.24 0.56 0.04 -1.26 -4.95 135.00 127.82 1bhc s PRO 9 Ca 0.57 2.27 0.02 0.00 0.04 0.00 0.00 61.00 63.90 1bhc s PRO 9 Cb -0.12 -2.54 0.06 0.00 0.04 0.00 0.00 34.50 31.93 1bhc s PRO 9 CO 0.50 -0.84 -0.10 -0.47 0.04 0.00 0.00 177.00 176.13 1bhc s TYR 10 N -1.27 2.96 0.22 0.56 5.04 -1.26 -4.99 117.35 118.61 1bhc s TYR 10 Ca 0.63 -2.09 -0.02 0.00 -2.44 0.00 0.00 57.07 53.15 1bhc s TYR 10 Cb -0.41 -1.82 0.20 0.00 0.35 0.00 0.00 41.96 40.28 1bhc s TYR 10 CO 0.51 -0.84 1.58 1.15 -1.34 0.00 0.00 175.55 176.61 1bhc h THR 11 N 6.67 1.30 0.00 4.34 2.02 -1.96 -3.43 112.91 121.85 1bhc h THR 11 Ca -0.21 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1bhc h THR 11 Cb 1.06 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1bhc h THR 11 CO 0.46 0.50 0.00 0.61 0.37 0.00 0.00 175.52 177.46 1bhc n GLY 12 N 0.01 -1.29 0.25 2.16 0.00 -1.26 0.03 105.19 105.09 1bhc n GLY 12 Ca -0.02 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -7.28 1.61 0.13 -1.92 -3.43 132.00 121.10 1bhc h PRO 13 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.11 0.15 0.00 -0.23 0.00 0.00 178.00 178.03 1bhc n LYS 15 N -4.34 2.10 -1.60 0.00 -0.00 -1.21 -4.56 118.16 108.55 1bhc n LYS 15 Ca 0.05 -1.95 -0.30 0.00 -0.00 0.00 0.00 58.31 56.11 1bhc n LYS 15 Cb 0.55 -1.41 0.09 0.00 -0.00 0.00 0.00 35.03 34.26 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 -1.44 2.30 -0.52 0.58 0.00 0.23 -5.02 121.76 117.90 1bhc s ALA 16 Ca 0.29 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.05 1bhc s ALA 16 Cb 0.18 -3.09 0.20 0.00 0.00 0.00 0.00 23.12 20.41 1bhc s ALA 16 CO 0.26 -1.70 0.49 0.54 0.00 0.00 0.00 175.76 175.35 1bhc n ARG 17 N -3.40 1.10 -4.10 0.00 1.74 -1.26 -4.05 116.66 106.69 1bhc n ARG 17 Ca 0.07 -3.77 -0.35 0.00 -0.77 0.00 0.00 57.85 53.03 1bhc n ARG 17 Cb 0.57 -1.82 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.02 4.93 0.06 0.55 1.09 -0.77 -4.90 121.20 121.13 1bhc s ILE 18 Ca 0.32 -0.10 -0.26 0.00 -1.10 0.00 0.00 60.65 59.52 1bhc s ILE 18 Cb 0.07 -3.16 -0.05 0.00 -1.06 0.00 0.00 42.46 38.25 1bhc s ILE 18 CO -0.14 0.54 0.82 -0.63 -0.10 0.00 0.00 174.94 175.43 1bhc s ILE 19 N -1.03 4.68 0.15 2.92 1.01 -1.26 0.38 121.20 128.05 1bhc s ILE 19 Ca 0.17 1.74 -0.01 0.00 0.00 0.00 0.00 60.65 62.55 1bhc s ILE 19 Cb -0.12 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1bhc s ILE 19 CO 0.06 0.35 0.06 -0.13 0.00 0.00 0.00 174.94 175.28 1bhc s ARG 20 N -0.00 0.99 0.12 2.79 1.81 -0.38 -4.90 118.95 119.37 1bhc s ARG 20 Ca 0.41 -1.48 0.06 0.00 -1.72 0.00 0.00 55.73 52.99 1bhc s ARG 20 Cb -0.21 0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 1bhc s ARG 20 CO 0.25 -0.27 -0.00 0.71 -0.68 0.00 0.00 175.30 175.30 1bhc s TYR 21 N -4.03 2.94 0.02 -0.53 1.51 0.32 -0.78 117.35 116.81 1bhc s TYR 21 Ca 0.26 -0.07 -0.05 0.00 -1.01 0.00 0.00 57.07 56.21 1bhc s TYR 21 Cb 0.07 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1bhc s TYR 21 CO 0.04 0.49 0.09 -0.59 -1.11 0.00 0.00 175.55 174.46 1bhc s PHE 22 N -1.43 0.17 -0.18 2.71 -0.71 -0.47 -0.20 117.98 117.87 1bhc s PHE 22 Ca 0.26 -0.41 -0.22 0.00 -1.04 0.00 0.00 56.93 55.52 1bhc s PHE 22 Cb -0.11 -0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.55 1bhc s PHE 22 CO 0.18 -0.31 0.69 -0.47 -1.34 0.00 0.00 175.22 173.97 1bhc s TYR 23 N -2.09 3.40 -0.54 3.49 5.04 -1.26 -1.09 117.35 124.29 1bhc s TYR 23 Ca -0.09 1.04 -0.16 0.00 -2.44 0.00 0.00 57.07 55.41 1bhc s TYR 23 Cb -0.04 -2.86 0.13 0.00 0.35 0.00 0.00 41.96 39.54 1bhc s TYR 23 CO -0.02 -0.18 0.50 1.21 -1.34 0.00 0.00 175.55 175.72 1bhc s ASN 24 N 1.17 6.19 0.24 4.32 3.84 0.91 -4.78 114.94 126.83 1bhc s ASN 24 Ca 0.32 -1.81 -0.05 0.00 0.21 0.00 0.00 52.86 51.53 1bhc s ASN 24 Cb -0.16 -2.20 0.37 0.00 -0.55 0.00 0.00 41.25 38.71 1bhc s ASN 24 CO 0.11 -0.85 1.83 0.00 -2.79 0.00 0.00 177.10 175.40 1bhc h ALA 25 N 8.85 1.19 -0.49 1.71 0.00 -1.82 0.76 119.26 129.47 1bhc h ALA 25 Ca -0.29 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1bhc h ALA 25 Cb 1.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1bhc h ALA 25 CO 1.03 0.18 0.23 0.87 0.00 0.00 0.00 179.25 181.56 1bhc h LYS 26 N 0.88 0.68 0.00 0.00 6.56 -1.94 -2.36 116.57 120.39 1bhc h LYS 26 Ca 0.39 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1bhc h LYS 26 Cb 0.28 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1bhc h LYS 26 CO -0.21 0.54 -1.28 0.00 -2.06 0.00 0.00 179.45 176.43 1bhc n ALA 27 N -2.46 2.74 -3.15 3.86 0.00 -0.82 -4.97 120.51 115.72 1bhc n ALA 27 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 1bhc n ALA 27 Cb 0.13 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 1.23 -0.17 3.41 0.00 0.00 0.26 -5.00 105.19 104.91 1bhc n GLY 28 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.43 -0.16 0.13 0.99 1.98 -0.98 -4.99 118.68 110.22 1bhc s LEU 29 Ca 0.11 0.22 -0.16 0.00 -2.89 0.00 0.00 54.13 51.41 1bhc s LEU 29 Cb -0.05 2.19 -0.07 0.00 0.66 0.00 0.00 46.19 48.92 1bhc s LEU 29 CO 0.55 -0.72 0.57 0.00 -1.89 0.00 0.00 176.35 174.87 1bhc s GLN 31 N -1.74 1.59 0.28 0.00 -0.21 -0.25 -4.91 119.66 114.43 1bhc s GLN 31 Ca 0.36 -1.91 0.04 0.00 0.02 0.00 0.00 55.36 53.87 1bhc s GLN 31 Cb -0.16 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.81 1bhc s GLN 31 CO 0.19 -0.48 0.42 0.95 -2.12 0.00 0.00 175.29 174.26 1bhc s THR 32 N -3.62 4.93 0.12 -0.19 -4.23 -1.26 -1.37 115.64 110.02 1bhc s THR 32 Ca 0.36 -0.89 -0.24 0.00 -1.18 0.00 0.00 61.69 59.74 1bhc s THR 32 Cb 0.05 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.21 1bhc s THR 32 CO 0.18 -0.33 0.64 0.72 -0.54 0.00 0.00 174.62 175.30 1bhc s PHE 33 N -2.10 -0.53 -0.20 3.99 -0.71 0.04 -4.89 117.98 113.59 1bhc s PHE 33 Ca 0.38 0.38 -0.20 0.00 -1.04 0.00 0.00 56.93 56.45 1bhc s PHE 33 Cb -0.09 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1bhc s PHE 33 CO 0.31 -0.79 0.59 0.08 -1.34 0.00 0.00 175.22 174.07 1bhc s VAL 34 N -3.46 5.05 -0.13 -2.49 1.01 -1.26 -1.24 120.40 117.87 1bhc s VAL 34 Ca 0.00 1.11 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 1bhc s VAL 34 Cb -0.01 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1bhc s VAL 34 CO -0.11 0.13 0.06 -0.47 0.00 0.00 0.00 175.10 174.72 1bhc s TYR 35 N 1.81 3.32 -0.30 5.22 5.04 0.16 -4.39 117.35 128.22 1bhc s TYR 35 Ca 0.27 0.24 0.27 0.00 -2.44 0.00 0.00 57.07 55.42 1bhc s TYR 35 Cb -0.16 -1.95 0.90 0.00 0.35 0.00 0.00 41.96 41.11 1bhc s TYR 35 CO 0.10 0.42 1.79 0.78 -1.34 0.00 0.00 175.55 177.30 1bhc h GLY 36 N 5.72 0.00 0.00 8.97 0.00 -0.54 -2.06 103.07 115.15 1bhc h GLY 36 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1bhc h GLY 36 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 1bhc n GLY 37 N 0.56 0.90 3.35 4.60 0.00 -1.26 -0.60 105.19 112.74 1bhc n GLY 37 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.22 -7.26 -2.22 0.00 3.00 -1.26 -4.45 116.66 104.26 1bhc n ARG 39 Ca -0.16 0.83 -0.37 0.00 -0.01 0.00 0.00 57.85 58.14 1bhc n ARG 39 Cb 0.64 -5.84 -0.00 0.00 0.00 0.00 0.00 32.46 27.25 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 -3.34 2.91 0.49 7.54 0.00 -1.26 -4.79 121.76 123.31 1bhc s ALA 40 Ca 0.30 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.29 1bhc s ALA 40 Cb -0.13 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1bhc s ALA 40 CO 0.72 -0.73 0.64 0.15 0.00 0.00 0.00 175.76 176.54 1bhc s LYS 41 N -2.82 2.58 0.29 0.00 1.02 -1.26 -5.04 119.74 114.50 1bhc s LYS 41 Ca 0.66 -1.45 -0.00 0.00 0.02 0.00 0.00 55.97 55.19 1bhc s LYS 41 Cb -0.29 -2.66 0.43 0.00 -0.52 0.00 0.00 37.83 34.79 1bhc s LYS 41 CO 0.34 -0.52 1.82 0.00 -0.92 0.00 0.00 175.35 176.08 1bhc h ARG 42 N 0.48 0.76 -3.50 1.68 2.47 -1.97 -3.28 114.38 111.03 1bhc h ARG 42 Ca -0.36 -0.16 -0.69 0.00 -1.26 0.00 0.00 59.98 57.51 1bhc h ARG 42 Cb 1.28 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1bhc h ARG 42 CO 0.45 0.72 3.49 -1.71 0.56 0.00 0.00 179.97 183.47 1bhc n ASN 43 N -4.27 6.33 -3.35 7.04 5.15 -1.26 -4.71 115.26 120.19 1bhc n ASN 43 Ca 0.03 -2.71 -0.09 0.00 -0.60 0.00 0.00 54.58 51.21 1bhc n ASN 43 Cb 0.24 -1.61 -0.08 0.00 -0.53 0.00 0.00 39.78 37.80 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 2.66 0.29 -0.09 1.20 3.84 -1.24 -4.55 114.94 117.05 1bhc s ASN 44 Ca 0.58 0.18 0.04 0.00 0.21 0.00 0.00 52.86 53.86 1bhc s ASN 44 Cb 0.16 1.09 -0.01 0.00 -0.55 0.00 0.00 41.25 41.94 1bhc s ASN 44 CO -0.07 -0.30 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.36 1bhc s PHE 45 N 2.54 2.60 0.21 0.43 0.08 0.72 -4.94 117.98 119.62 1bhc s PHE 45 Ca 0.12 -0.83 0.03 0.00 0.12 0.00 0.00 56.93 56.38 1bhc s PHE 45 Cb -0.15 -1.71 0.14 0.00 -0.57 0.00 0.00 43.02 40.73 1bhc s PHE 45 CO -0.17 -0.29 1.48 -0.22 -0.10 0.00 0.00 175.22 175.93 1bhc h LYS 46 N 6.48 0.23 -5.54 0.44 3.64 -1.92 0.93 116.57 120.83 1bhc h LYS 46 Ca -0.25 -0.19 -0.66 0.00 -1.27 0.00 0.00 60.65 58.28 1bhc h LYS 46 Cb 1.21 0.04 -0.25 0.00 -0.41 0.00 0.00 32.23 32.83 1bhc h LYS 46 CO 0.49 0.85 -0.74 0.45 -2.27 0.00 0.00 179.45 178.23 1bhc s SER 47 N -6.91 4.20 0.41 4.20 0.15 -1.26 -4.78 113.70 109.71 1bhc s SER 47 Ca -0.04 -0.25 0.10 0.00 0.70 0.00 0.00 55.95 56.47 1bhc s SER 47 Cb 0.11 -1.49 0.85 0.00 -1.71 0.00 0.00 66.02 63.79 1bhc s SER 47 CO 0.81 0.21 1.96 0.00 1.20 0.00 0.00 173.24 177.42 1bhc h ALA 48 N 6.37 1.59 -0.58 5.45 0.00 -1.98 -2.43 119.26 127.68 1bhc h ALA 48 Ca -0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1bhc h ALA 48 Cb 1.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1bhc h ALA 48 CO 0.56 0.30 0.23 1.49 0.00 0.00 0.00 179.25 181.83 1bhc h GLU 49 N 0.21 0.86 -0.63 0.00 4.81 -1.98 -2.10 114.58 115.75 1bhc h GLU 49 Ca 0.05 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 1bhc h GLU 49 Cb 0.30 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1bhc h GLU 49 CO 0.02 0.74 0.16 -0.44 -0.73 0.00 0.00 179.01 178.75 1bhc h ASP 50 N 0.79 0.92 0.70 1.04 3.32 -1.89 -2.18 116.42 119.11 1bhc h ASP 50 Ca 0.19 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1bhc h ASP 50 Cb 0.20 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1bhc h ASP 50 CO -0.02 0.88 -0.47 0.00 -1.72 0.00 0.00 179.24 177.92 1bhc h MET 52 N -1.10 0.00 0.13 0.00 2.86 -1.36 -0.25 114.93 115.21 1bhc h MET 52 Ca -0.09 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.31 1bhc h MET 52 Cb 0.89 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.58 1bhc h MET 52 CO 0.07 0.09 -1.02 -0.09 1.06 0.00 0.00 176.91 177.02 1bhc h ARG 53 N 0.00 0.46 -0.09 1.72 2.43 -1.13 0.12 114.38 117.89 1bhc h ARG 53 Ca -0.00 -0.67 -0.13 0.00 -0.81 0.00 0.00 59.98 58.37 1bhc h ARG 53 Cb 0.30 0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1bhc h ARG 53 CO 0.01 1.29 -0.46 1.15 -1.51 0.00 0.00 179.97 180.45 1bhc h THR 54 N -0.04 1.39 0.00 0.20 2.02 -0.81 -3.39 112.91 112.28 1bhc h THR 54 Ca -0.16 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1bhc h THR 54 Cb 1.75 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 1bhc h THR 54 CO 0.19 0.54 -1.70 0.00 0.37 0.00 0.00 175.52 174.92