#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 -2.48 0.03 2.24 0.00 -1.26 -4.87 120.51 114.16 1bjc n ALA 2 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 1bjc n ALA 2 Cb 0.00 -5.50 0.01 0.00 0.00 0.00 0.00 19.45 13.96 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 -3.12 1.10 -0.16 0.00 4.71 -1.26 -2.60 120.64 119.31 1bjc n GLU 3 Ca -0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 56.88 1bjc n GLU 3 Cb 0.61 -1.08 0.00 0.00 -1.01 0.00 0.00 31.44 29.96 1bjc n GLU 3 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1bjc n PHE 4 N 0.95 0.00 -1.20 -0.32 1.16 -1.26 -5.03 117.46 111.76 1bjc n PHE 4 Ca 0.04 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.22 1bjc n PHE 4 Cb 0.54 0.13 -0.07 0.00 -1.61 0.00 0.00 39.48 38.47 1bjc n PHE 4 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 1bjc n ARG 5 N 0.00 1.22 0.00 3.97 0.63 -1.07 -1.94 116.66 119.47 1bjc n ARG 5 Ca 0.00 -1.80 0.00 0.00 -0.92 0.00 0.00 57.85 55.13 1bjc n ARG 5 Cb 0.52 -3.01 0.00 0.00 0.45 0.00 0.00 32.46 30.41 1bjc n ARG 5 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1bjc n HIS 6 N 9.25 0.00 -3.52 -0.14 1.44 -1.26 -5.02 115.22 115.97 1bjc n HIS 6 Ca 0.48 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.99 1bjc n HIS 6 Cb 0.42 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.61 1bjc n HIS 6 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1bjc n ASP 7 N -0.01 -3.90 0.01 4.39 2.03 -0.82 -4.90 116.55 113.35 1bjc n ASP 7 Ca 0.00 -0.60 -0.05 0.00 0.52 0.00 0.00 54.79 54.66 1bjc n ASP 7 Cb 0.00 -5.04 0.15 0.00 -0.72 0.00 0.00 41.12 35.51 1bjc n ASP 7 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1bjc h SER 8 N -2.25 0.51 0.00 1.67 0.87 -1.96 -3.47 113.55 108.93 1bjc h SER 8 Ca -0.58 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 1bjc h SER 8 Cb 1.35 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1bjc h SER 8 CO 0.53 0.83 0.00 0.61 -0.53 0.00 0.00 176.83 178.27 1bjc n GLY 9 N -0.15 1.98 3.60 5.77 0.00 -1.26 -4.82 105.19 110.31 1bjc n GLY 9 Ca -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -0.20 -0.30 1.61 6.14 -1.26 -5.15 117.35 118.19 1bjc s TYR 10 Ca 0.00 0.06 -0.10 0.00 0.64 0.00 0.00 57.07 57.67 1bjc s TYR 10 Cb 0.00 0.56 0.18 0.00 0.42 0.00 0.00 41.96 43.12 1bjc s TYR 10 CO 0.00 -0.49 0.99 -2.00 0.64 0.00 0.00 175.55 174.69 1bjc s GLU 11 N -2.89 0.22 -0.06 4.97 2.56 -1.26 -5.04 118.70 117.20 1bjc s GLU 11 Ca 0.09 0.30 -0.20 0.00 0.00 0.00 0.00 54.97 55.16 1bjc s GLU 11 Cb -0.00 0.15 -0.30 0.00 2.00 0.00 0.00 34.13 35.98 1bjc s GLU 11 CO -0.05 -0.33 0.79 0.28 -0.56 0.00 0.00 175.26 175.39 1bjc h VAL 12 N 5.06 1.34 -3.74 3.70 2.07 -2.02 -3.47 116.25 119.18 1bjc h VAL 12 Ca -0.11 -2.50 -0.32 0.00 0.82 0.00 0.00 66.70 64.58 1bjc h VAL 12 Cb 1.18 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.96 1bjc h VAL 12 CO -0.06 0.72 -0.43 1.57 0.02 0.00 0.00 177.57 179.39 1bjc n HIS 13 N -4.04 -1.36 -3.25 1.57 -0.00 -1.26 -4.93 115.22 101.95 1bjc n HIS 13 Ca -0.18 0.08 -0.01 0.00 0.46 0.00 0.00 57.72 58.07 1bjc n HIS 13 Cb 0.87 -3.32 -0.04 0.00 -0.12 0.00 0.00 29.99 27.38 1bjc n HIS 13 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1bjc s HIS 14 N -2.83 -1.30 -0.38 1.57 2.46 -1.26 -5.04 115.29 108.52 1bjc s HIS 14 Ca 0.06 1.41 -0.06 0.00 0.47 0.00 0.00 55.06 56.94 1bjc s HIS 14 Cb -0.03 0.37 -0.14 0.00 -0.13 0.00 0.00 32.58 32.66 1bjc s HIS 14 CO 0.07 -0.80 3.25 1.04 -2.47 0.00 0.00 174.74 175.82 1bjc n GLN 15 N 5.41 2.44 0.00 2.88 6.02 -1.26 -3.08 117.38 129.80 1bjc n GLN 15 Ca -0.02 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.32 1bjc n GLN 15 Cb 0.51 -2.16 0.00 0.00 1.02 0.00 0.00 30.24 29.60 1bjc n GLN 15 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bjc n PHE 16 N 2.11 -0.07 -0.05 1.08 7.35 -1.26 -4.31 117.46 122.31 1bjc n PHE 16 Ca 0.50 0.01 -0.13 0.00 -0.76 0.00 0.00 57.45 57.07 1bjc n PHE 16 Cb 0.70 0.32 -0.07 0.00 0.35 0.00 0.00 39.48 40.79 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 0.33 -0.76 -2.13 4.07 -1.96 -1.36 115.31 113.49 1bjc h LEU 17 Ca 0.00 -0.44 -0.09 0.00 0.08 0.00 0.00 57.88 57.43 1bjc h LEU 17 Cb 0.34 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1bjc h LEU 17 CO 0.00 0.70 -0.07 0.58 -1.08 0.00 0.00 178.44 178.57 1bjc h VAL 18 N -0.04 1.26 -1.01 1.22 2.07 -1.85 -0.78 116.25 117.12 1bjc h VAL 18 Ca 0.03 -1.15 0.10 0.00 0.82 0.00 0.00 66.70 66.50 1bjc h VAL 18 Cb 0.59 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1bjc h VAL 18 CO 0.03 0.40 0.64 0.15 0.02 0.00 0.00 177.57 178.81 1bjc h PHE 19 N 0.79 1.17 0.10 1.57 3.04 -1.68 -0.28 116.94 121.65 1bjc h PHE 19 Ca 0.14 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 1bjc h PHE 19 Cb 0.57 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1bjc h PHE 19 CO 0.03 0.51 -0.05 0.35 -2.02 0.00 0.00 178.31 177.14 1bjc h PHE 20 N 1.06 -0.12 -0.46 0.41 3.57 -0.71 -2.97 116.94 117.72 1bjc h PHE 20 Ca 0.48 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.07 1bjc h PHE 20 Cb 0.38 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.06 1bjc h PHE 20 CO -0.00 0.29 -0.16 0.00 -2.23 0.00 0.00 178.31 176.21 1bjc h ALA 21 N 0.26 0.23 -0.51 2.41 0.00 -0.24 0.13 119.26 121.55 1bjc h ALA 21 Ca -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bjc h ALA 21 Cb 0.47 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1bjc h ALA 21 CO 0.02 -0.49 0.30 0.93 0.00 0.00 0.00 179.25 180.01 1bjc h GLU 22 N -0.05 0.68 0.00 0.00 5.08 -1.14 0.27 114.58 119.42 1bjc h GLU 22 Ca 0.22 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1bjc h GLU 22 Cb 0.39 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1bjc h GLU 22 CO -0.50 0.48 -0.21 0.22 -1.00 0.00 0.00 179.01 178.00 1bjc h ASP 23 N 0.69 0.00 -0.03 1.42 3.58 -1.17 -3.40 116.42 117.51 1bjc h ASP 23 Ca 0.18 -0.56 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 1bjc h ASP 23 Cb -0.03 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 1bjc h ASP 23 CO -0.03 0.90 -0.01 0.58 -2.88 0.00 0.00 179.24 177.79 1bjc h VAL 24 N -1.00 1.33 -3.11 2.25 2.07 -0.83 -3.45 116.25 113.51 1bjc h VAL 24 Ca -0.05 -1.00 -0.63 0.00 0.82 0.00 0.00 66.70 65.84 1bjc h VAL 24 Cb 0.70 1.94 -0.09 0.00 -1.52 0.00 0.00 31.29 32.33 1bjc h VAL 24 CO -0.03 0.27 -0.60 -0.83 0.02 0.00 0.00 177.57 176.40 1bjc s GLY 25 N -3.08 1.96 -0.21 2.17 0.00 0.08 -5.00 107.32 103.24 1bjc s GLY 25 Ca -0.15 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.52 1bjc s GLY 25 CO 0.69 -1.05 1.55 1.44 0.00 0.00 0.00 173.10 175.73 1bjc n SER 26 N 0.32 4.13 -0.16 1.64 7.64 -1.26 -4.24 113.62 121.70 1bjc n SER 26 Ca -0.09 -2.74 0.05 0.00 1.01 0.00 0.00 58.87 57.10 1bjc n SER 26 Cb 0.52 -0.76 0.34 0.00 -1.01 0.00 0.00 64.21 63.31 1bjc n SER 26 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bjc h ASN 27 N 0.68 0.68 0.00 6.43 -1.07 -1.86 -3.52 115.58 116.91 1bjc h ASN 27 Ca 0.25 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.62 1bjc h ASN 27 Cb 1.53 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 37.62 1bjc h ASN 27 CO 0.50 0.46 0.00 2.29 0.07 0.00 0.00 177.43 180.75