#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjc n ALA 2 N 0.00 0.59 -0.37 2.24 0.00 -1.26 -4.98 120.51 116.73 1bjc n ALA 2 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 53.44 52.00 1bjc n ALA 2 Cb 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 18.45 1bjc n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bjc n GLU 3 N -0.33 1.61 -1.87 0.00 4.71 -1.26 -4.80 120.64 118.71 1bjc n GLU 3 Ca -0.01 -1.32 -0.15 0.00 -0.01 0.00 0.00 57.16 55.67 1bjc n GLU 3 Cb 0.80 -1.52 -0.04 0.00 -1.01 0.00 0.00 31.44 29.68 1bjc n GLU 3 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1bjc n PHE 4 N 0.13 -0.71 1.37 -0.32 3.72 -1.26 -4.81 117.46 115.59 1bjc n PHE 4 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1bjc n PHE 4 Cb 0.79 -2.97 0.01 0.00 -0.94 0.00 0.00 39.48 36.37 1bjc n PHE 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1bjc n ARG 5 N -2.38 0.68 0.20 -1.08 1.74 -1.26 -2.83 116.66 111.73 1bjc n ARG 5 Ca -0.17 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.03 1bjc n ARG 5 Cb 0.56 -1.01 0.14 0.00 -1.02 0.00 0.00 32.46 31.13 1bjc n ARG 5 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1bjc h HIS 6 N 0.00 0.00 -3.05 -1.55 3.86 -1.99 -3.47 115.15 108.95 1bjc h HIS 6 Ca 0.00 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.81 1bjc h HIS 6 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1bjc h HIS 6 CO 0.00 0.03 -0.51 -3.47 0.86 0.00 0.00 177.93 174.84 1bjc n ASP 7 N -3.05 -5.67 0.26 2.45 2.03 -1.13 -4.83 116.55 106.61 1bjc n ASP 7 Ca 0.03 0.02 0.12 0.00 0.52 0.00 0.00 54.79 55.49 1bjc n ASP 7 Cb 0.54 -4.74 0.52 0.00 -0.72 0.00 0.00 41.12 36.73 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 0.00 0.00 -0.22 1.67 0.02 -1.91 -1.59 113.55 111.52 1bjc h SER 8 Ca -0.47 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.54 1bjc h SER 8 Cb 1.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1bjc h SER 8 CO 0.56 0.00 0.19 1.23 -1.14 0.00 0.00 176.83 177.67 1bjc h GLY 9 N 0.00 0.00 -0.89 -3.77 0.00 -1.95 -3.43 103.07 93.03 1bjc h GLY 9 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.99 1bjc h GLY 9 CO -0.00 0.00 0.18 1.58 0.00 0.00 0.00 176.54 178.30 1bjc n TYR 10 N -4.06 -3.92 -3.19 5.60 4.11 -0.60 -5.08 117.16 110.02 1bjc n TYR 10 Ca 0.02 -1.03 0.05 0.00 -0.00 0.00 0.00 57.90 56.94 1bjc n TYR 10 Cb 0.33 -1.11 -0.02 0.00 -0.00 0.00 0.00 39.34 38.54 1bjc n TYR 10 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1bjc s GLU 11 N -5.57 0.16 0.00 -3.48 2.56 -1.26 -5.01 118.70 106.10 1bjc s GLU 11 Ca 0.72 0.32 0.32 0.00 0.00 0.00 0.00 54.97 56.32 1bjc s GLU 11 Cb -0.06 0.18 1.82 0.00 2.00 0.00 0.00 34.13 38.08 1bjc s GLU 11 CO 0.54 -0.14 2.19 0.28 -0.56 0.00 0.00 175.26 177.57 1bjc n VAL 12 N 5.28 0.00 -0.57 3.70 0.31 -1.26 -4.87 118.33 120.93 1bjc n VAL 12 Ca -0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1bjc n VAL 12 Cb 0.54 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1bjc n VAL 12 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1bjc n HIS 13 N -1.04 0.00 -2.93 3.52 -0.00 -1.26 -4.39 115.22 109.13 1bjc n HIS 13 Ca 0.22 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.32 1bjc n HIS 13 Cb 0.14 -0.74 0.00 0.00 -0.12 0.00 0.00 29.99 29.27 1bjc n HIS 13 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1bjc n HIS 14 N -2.00 -0.61 -2.29 1.57 1.44 -1.26 -4.84 115.22 107.23 1bjc n HIS 14 Ca 0.00 0.25 0.04 0.00 -2.01 0.00 0.00 57.72 56.00 1bjc n HIS 14 Cb 0.00 -0.83 0.06 0.00 0.12 0.00 0.00 29.99 29.34 1bjc n HIS 14 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bjc n GLN 15 N -1.18 0.37 0.00 -1.40 10.64 -1.26 -4.58 117.38 119.96 1bjc n GLN 15 Ca -0.10 -2.30 0.00 0.00 -1.83 0.00 0.00 57.00 52.77 1bjc n GLN 15 Cb 0.21 -0.38 0.00 0.00 -0.86 0.00 0.00 30.24 29.21 1bjc n GLN 15 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1bjc n PHE 16 N 0.12 0.00 -0.22 2.61 7.35 -1.26 -3.89 117.46 122.17 1bjc n PHE 16 Ca 0.09 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.72 1bjc n PHE 16 Cb 1.04 0.00 0.09 0.00 0.35 0.00 0.00 39.48 40.96 1bjc n PHE 16 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1bjc h LEU 17 N 0.00 1.00 -0.09 -2.13 4.07 -1.99 -0.78 115.31 115.39 1bjc h LEU 17 Ca 0.00 -0.21 -0.08 0.00 0.08 0.00 0.00 57.88 57.67 1bjc h LEU 17 Cb 1.00 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1bjc h LEU 17 CO 0.00 0.97 -0.27 0.58 -1.08 0.00 0.00 178.44 178.64 1bjc h VAL 18 N 1.01 1.40 -0.89 1.22 2.07 -1.82 -0.54 116.25 118.70 1bjc h VAL 18 Ca 0.21 -1.61 0.22 0.00 0.82 0.00 0.00 66.70 66.35 1bjc h VAL 18 Cb 0.36 2.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1bjc h VAL 18 CO 0.00 0.46 0.61 0.15 0.02 0.00 0.00 177.57 178.81 1bjc h PHE 19 N -0.12 0.33 0.02 1.57 3.57 -1.56 0.10 116.94 120.85 1bjc h PHE 19 Ca -0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1bjc h PHE 19 Cb 0.88 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1bjc h PHE 19 CO 0.12 0.08 -0.01 0.74 -2.23 0.00 0.00 178.31 177.01 1bjc h PHE 20 N 0.24 -0.03 -0.89 0.41 -1.00 -0.97 -3.33 116.94 111.37 1bjc h PHE 20 Ca 0.45 -0.00 0.23 0.00 2.81 0.00 0.00 57.97 61.46 1bjc h PHE 20 Cb 1.37 0.01 -0.16 0.00 3.61 0.00 0.00 35.95 40.78 1bjc h PHE 20 CO -0.00 0.72 0.06 0.00 -1.61 0.00 0.00 178.31 177.47 1bjc h ALA 21 N 0.02 1.06 0.00 2.45 0.00 0.84 0.12 119.26 123.75 1bjc h ALA 21 Ca -0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1bjc h ALA 21 Cb 0.75 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1bjc h ALA 21 CO 0.00 -0.50 0.41 0.93 0.00 0.00 0.00 179.25 180.09 1bjc h GLU 22 N 0.08 0.00 0.00 0.00 3.07 -1.43 -1.02 114.58 115.28 1bjc h GLU 22 Ca 0.53 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.26 1bjc h GLU 22 Cb 1.04 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.70 1bjc h GLU 22 CO -0.79 0.00 -0.73 -3.47 -1.40 0.00 0.00 179.01 172.62 1bjc n ASP 23 N -2.78 0.35 0.00 1.42 2.03 0.20 -4.85 116.55 112.93 1bjc n ASP 23 Ca -0.02 -1.94 0.00 0.00 0.52 0.00 0.00 54.79 53.35 1bjc n ASP 23 Cb 0.45 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1bjc n ASP 23 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1bjc n VAL 24 N 0.28 0.00 0.00 5.18 0.31 -0.03 -5.06 118.33 119.02 1bjc n VAL 24 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1bjc n VAL 24 Cb 0.94 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 1bjc n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bjc n GLY 25 N 1.20 -0.14 2.73 2.92 0.00 -0.46 -4.97 105.19 106.46 1bjc n GLY 25 Ca 0.00 -2.24 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 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 0.00 -2.50 0.05 1.61 2.88 -1.26 -4.50 113.62 109.91 1bjc n SER 26 Ca 0.00 -2.97 0.06 0.00 -1.33 0.00 0.00 58.87 54.63 1bjc n SER 26 Cb 0.00 1.59 0.49 0.00 -0.75 0.00 0.00 64.21 65.54 1bjc n SER 26 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1bjc h ASN 27 N 3.73 0.33 -0.00 -3.46 2.35 -2.00 -3.55 115.58 112.97 1bjc h ASN 27 Ca -0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1bjc h ASN 27 Cb 1.08 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1bjc h ASN 27 CO 0.20 0.23 0.00 0.29 -1.65 0.00 0.00 177.43 176.50