#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjc s ALA 2 N 0.00 0.85 -0.70 2.12 0.00 -1.26 -5.01 121.76 117.76 1bjc s ALA 2 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1bjc s ALA 2 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1bjc s ALA 2 CO 0.00 -0.36 0.61 -0.85 0.00 0.00 0.00 175.76 175.16 1bjc n GLU 3 N 4.88 0.94 -0.58 0.00 -0.00 -1.26 -2.35 120.64 122.27 1bjc n GLU 3 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.05 1bjc n GLU 3 Cb 0.50 -1.34 0.00 0.00 -0.00 0.00 0.00 31.44 30.60 1bjc n GLU 3 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1bjc n PHE 4 N 0.18 0.00 -2.45 -1.84 -1.74 -1.26 -4.82 117.46 105.53 1bjc n PHE 4 Ca 0.00 -0.04 -0.43 0.00 -0.56 0.00 0.00 57.45 56.42 1bjc n PHE 4 Cb 0.30 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.30 1bjc n PHE 4 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1bjc n ARG 5 N 0.04 3.15 -2.20 3.97 0.63 -0.99 -4.08 116.66 117.18 1bjc n ARG 5 Ca 0.00 -3.19 -0.20 0.00 -0.92 0.00 0.00 57.85 53.54 1bjc n ARG 5 Cb 0.70 -3.44 -0.03 0.00 0.45 0.00 0.00 32.46 30.15 1bjc n ARG 5 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1bjc n HIS 6 N 7.83 -0.80 -3.19 -0.14 -0.00 -1.26 -2.74 115.22 114.92 1bjc n HIS 6 Ca 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 58.14 1bjc n HIS 6 Cb 0.45 -3.73 0.02 0.00 -0.00 0.00 0.00 29.99 26.72 1bjc n HIS 6 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1bjc n ASP 7 N -1.81 -7.20 -0.22 0.26 2.03 -1.26 -4.86 116.55 103.49 1bjc n ASP 7 Ca -0.23 -0.33 0.23 0.00 0.52 0.00 0.00 54.79 54.99 1bjc n ASP 7 Cb 0.67 -4.92 0.60 0.00 -0.72 0.00 0.00 41.12 36.76 1bjc n ASP 7 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1bjc h SER 8 N -0.07 0.23 -3.85 1.67 0.02 -1.84 -3.45 113.55 106.27 1bjc h SER 8 Ca -0.22 0.03 -0.33 0.00 -0.84 0.00 0.00 61.79 60.43 1bjc h SER 8 Cb 1.12 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1bjc h SER 8 CO 0.35 0.08 -0.44 0.61 -1.14 0.00 0.00 176.83 176.29 1bjc n GLY 9 N -1.60 -0.50 3.65 -3.77 0.00 -1.26 -4.92 105.19 96.78 1bjc n GLY 9 Ca 0.19 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 1bjc n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bjc s TYR 10 N -2.83 -0.30 -0.29 1.61 5.04 -1.26 -5.14 117.35 114.17 1bjc s TYR 10 Ca 0.08 0.01 -0.01 0.00 -2.44 0.00 0.00 57.07 54.71 1bjc s TYR 10 Cb -0.04 0.62 0.19 0.00 0.35 0.00 0.00 41.96 43.08 1bjc s TYR 10 CO 0.10 -0.91 0.74 -2.00 -1.34 0.00 0.00 175.55 172.14 1bjc s GLU 11 N -3.58 0.43 0.17 4.97 2.12 -1.26 -5.03 118.70 116.52 1bjc s GLU 11 Ca 0.07 0.54 0.08 0.00 0.36 0.00 0.00 54.97 56.02 1bjc s GLU 11 Cb -0.03 0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 1bjc s GLU 11 CO -0.03 -0.70 1.39 0.28 -0.54 0.00 0.00 175.26 175.67 1bjc h VAL 12 N 5.61 1.63 0.00 3.70 2.07 -2.02 -3.47 116.25 123.77 1bjc h VAL 12 Ca -0.09 -2.98 0.00 0.00 0.82 0.00 0.00 66.70 64.45 1bjc h VAL 12 Cb 1.18 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1bjc h VAL 12 CO 0.09 0.85 0.00 1.41 0.02 0.00 0.00 177.57 179.95 1bjc n HIS 13 N -3.51 0.00 -0.20 1.57 -0.00 -1.26 -4.84 115.22 106.99 1bjc n HIS 13 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1bjc n HIS 13 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.82 1bjc n HIS 13 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1bjc n HIS 14 N 0.00 0.00 -2.68 4.41 8.25 -1.26 -4.56 115.22 119.38 1bjc n HIS 14 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1bjc n HIS 14 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1bjc n HIS 14 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1bjc n GLN 15 N 0.00 -2.69 -3.42 -0.41 6.02 -1.26 -4.88 117.38 110.75 1bjc n GLN 15 Ca 0.00 0.65 -0.12 0.00 -0.01 0.00 0.00 57.00 57.53 1bjc n GLN 15 Cb 0.00 -5.31 -0.10 0.00 1.02 0.00 0.00 30.24 25.85 1bjc n GLN 15 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1bjc s PHE 16 N -2.79 -0.65 0.00 1.08 5.36 -1.26 -4.16 117.98 115.57 1bjc s PHE 16 Ca 0.11 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 1bjc s PHE 16 Cb -0.06 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 1bjc s PHE 16 CO 0.14 -0.66 0.00 -0.11 -1.46 0.00 0.00 175.22 173.13 1bjc n LEU 17 N 5.35 0.00 -0.04 6.12 7.94 -1.26 -4.55 117.00 130.56 1bjc n LEU 17 Ca -0.04 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.66 1bjc n LEU 17 Cb 0.50 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.31 1bjc n LEU 17 CO 0.06 0.00 -0.96 0.52 -1.11 0.00 0.00 177.39 175.91 1bjc n VAL 18 N -0.40 1.68 0.10 1.96 0.31 -1.26 -2.40 118.33 118.32 1bjc n VAL 18 Ca 0.00 -0.64 0.19 0.00 -0.01 0.00 0.00 64.34 63.87 1bjc n VAL 18 Cb 0.00 -1.58 0.74 0.00 -0.91 0.00 0.00 33.84 32.09 1bjc n VAL 18 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1bjc h PHE 19 N 0.05 0.00 0.12 3.52 3.57 -1.80 0.14 116.94 122.54 1bjc h PHE 19 Ca -0.46 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 60.73 1bjc h PHE 19 Cb 2.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.74 1bjc h PHE 19 CO 0.06 0.00 -1.61 0.35 -2.23 0.00 0.00 178.31 174.87 1bjc h PHE 20 N 0.00 0.48 -0.70 0.41 3.57 -1.90 -3.37 116.94 115.43 1bjc h PHE 20 Ca 0.17 -0.35 0.15 0.00 3.53 0.00 0.00 57.97 61.48 1bjc h PHE 20 Cb 0.81 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.42 1bjc h PHE 20 CO 0.00 1.63 0.10 0.00 -2.23 0.00 0.00 178.31 177.81 1bjc h ALA 21 N -0.02 0.81 -0.98 2.41 0.00 -0.39 -0.13 119.26 120.95 1bjc h ALA 21 Ca -0.35 0.18 0.24 0.00 0.00 0.00 0.00 54.91 54.99 1bjc h ALA 21 Cb 1.86 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 19.82 1bjc h ALA 21 CO 0.07 -0.37 0.56 0.93 0.00 0.00 0.00 179.25 180.44 1bjc h GLU 22 N 0.20 0.54 0.03 0.00 3.07 -1.42 -0.34 114.58 116.65 1bjc h GLU 22 Ca 0.38 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 1bjc h GLU 22 Cb 0.65 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1bjc h GLU 22 CO -0.53 0.36 -0.17 0.22 -1.40 0.00 0.00 179.01 177.48 1bjc h ASP 23 N 0.56 0.10 -0.46 1.42 3.58 -1.33 -3.36 116.42 116.93 1bjc h ASP 23 Ca 0.63 -0.97 0.09 0.00 0.42 0.00 0.00 57.03 57.21 1bjc h ASP 23 Cb 1.18 -0.03 -0.10 0.00 1.72 0.00 0.00 39.33 42.10 1bjc h ASP 23 CO -0.48 1.06 -0.23 0.58 -2.88 0.00 0.00 179.24 177.30 1bjc h VAL 24 N -0.84 0.35 -2.12 2.25 2.07 -0.21 -3.43 116.25 114.33 1bjc h VAL 24 Ca -0.03 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.31 1bjc h VAL 24 Cb 1.11 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1bjc h VAL 24 CO 0.03 0.00 -0.18 0.61 0.02 0.00 0.00 177.57 178.05 1bjc n GLY 25 N -1.40 0.57 2.32 2.17 0.00 -0.22 -1.14 105.19 107.49 1bjc n GLY 25 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1bjc n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bjc n SER 26 N -0.40 -4.55 0.00 1.61 2.88 -1.26 -4.65 113.62 107.25 1bjc n SER 26 Ca -0.09 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1bjc n SER 26 Cb 0.36 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.78 1bjc n SER 26 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1bjc n ASN 27 N -1.16 0.27 0.00 -3.46 5.03 -0.53 -5.29 115.26 110.12 1bjc n ASN 27 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 1bjc n ASN 27 Cb 0.58 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 1bjc n ASN 27 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72