#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 -0.15 -2.32 -1.67 0.00 -1.26 -5.06 120.51 110.05 1bjc n ALA 2 Ca 0.00 -2.05 -0.36 0.00 0.00 0.00 0.00 53.44 51.03 1bjc n ALA 2 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1bjc n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bjc s GLU 3 N 0.09 3.24 0.00 0.00 -6.30 -1.26 -4.18 118.70 110.29 1bjc s GLU 3 Ca 0.33 -1.59 0.13 0.00 -2.50 0.00 0.00 54.97 51.35 1bjc s GLU 3 Cb 0.20 -5.39 0.22 0.00 0.00 0.00 0.00 34.13 29.16 1bjc s GLU 3 CO -0.20 -3.13 1.07 1.19 0.02 0.00 0.00 175.26 174.20 1bjc n PHE 4 N 11.42 0.00 -3.60 5.30 3.72 -1.26 -4.98 117.46 128.05 1bjc n PHE 4 Ca 0.47 -0.45 -0.23 0.00 -0.05 0.00 0.00 57.45 57.18 1bjc n PHE 4 Cb 0.46 0.13 -0.04 0.00 -0.94 0.00 0.00 39.48 39.09 1bjc n PHE 4 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1bjc n ARG 5 N 0.26 -1.84 -2.37 -1.08 0.00 -1.26 0.05 116.66 110.41 1bjc n ARG 5 Ca -0.08 0.10 -0.05 0.00 -0.00 0.00 0.00 57.85 57.82 1bjc n ARG 5 Cb 0.92 -4.65 0.03 0.00 -0.00 0.00 0.00 32.46 28.76 1bjc n ARG 5 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1bjc n HIS 6 N -3.38 -0.70 -3.72 2.89 -0.00 -1.26 -2.33 115.22 106.71 1bjc n HIS 6 Ca 0.06 0.29 -0.24 0.00 -0.00 0.00 0.00 57.72 57.84 1bjc n HIS 6 Cb 0.48 -2.98 0.03 0.00 -0.00 0.00 0.00 29.99 27.52 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 -1.74 -2.03 -2.15 0.26 -0.08 0.11 -0.68 116.55 110.24 1bjc n ASP 7 Ca -0.08 -0.89 -0.19 0.00 -1.51 0.00 0.00 54.79 52.13 1bjc n ASP 7 Cb 0.55 -3.80 -0.01 0.00 2.34 0.00 0.00 41.12 40.20 1bjc n ASP 7 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1bjc n SER 8 N -2.98 -5.44 0.00 1.67 2.88 -0.53 -2.18 113.62 107.04 1bjc n SER 8 Ca -0.25 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1bjc n SER 8 Cb 0.66 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 59.63 1bjc n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bjc n GLY 9 N -1.02 1.87 3.64 0.46 0.00 0.14 -4.87 105.19 105.41 1bjc n GLY 9 Ca -0.22 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 1bjc n GLY 9 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bjc s TYR 10 N -0.44 -0.29 -0.30 1.61 1.13 -0.93 -4.96 117.35 113.18 1bjc s TYR 10 Ca 0.00 0.01 -0.08 0.00 -1.41 0.00 0.00 57.07 55.59 1bjc s TYR 10 Cb 0.00 0.61 0.18 0.00 -1.10 0.00 0.00 41.96 41.66 1bjc s TYR 10 CO 0.00 -0.85 0.93 -2.00 -2.51 0.00 0.00 175.55 171.12 1bjc s GLU 11 N -3.48 0.27 0.09 -3.49 2.12 -1.26 -4.89 118.70 108.06 1bjc s GLU 11 Ca 0.08 0.37 -0.31 0.00 0.36 0.00 0.00 54.97 55.47 1bjc s GLU 11 Cb -0.02 0.19 -0.15 0.00 0.26 0.00 0.00 34.13 34.41 1bjc s GLU 11 CO -0.03 -0.41 1.63 0.28 -0.54 0.00 0.00 175.26 176.19 1bjc h VAL 12 N 5.21 0.36 0.00 3.70 2.07 -2.01 -3.47 116.25 122.12 1bjc h VAL 12 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1bjc h VAL 12 Cb 1.18 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1bjc h VAL 12 CO -0.02 0.00 0.00 1.57 0.02 0.00 0.00 177.57 179.14 1bjc n HIS 13 N -5.44 -2.41 0.00 1.57 -0.00 -1.26 -5.12 115.22 102.56 1bjc n HIS 13 Ca -0.11 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1bjc n HIS 13 Cb 0.34 0.58 0.00 0.00 -0.12 0.00 0.00 29.99 30.79 1bjc n HIS 13 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1bjc n HIS 14 N -2.95 0.00 -3.96 1.57 -0.00 -1.26 -5.04 115.22 103.58 1bjc n HIS 14 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 1bjc n HIS 14 Cb 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 1bjc n HIS 14 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1bjc n GLN 15 N 0.00 -3.53 -3.64 1.57 1.13 -1.26 -4.94 117.38 106.72 1bjc n GLN 15 Ca 0.00 0.43 -0.20 0.00 -1.94 0.00 0.00 57.00 55.29 1bjc n GLN 15 Cb 0.00 -4.70 -0.16 0.00 0.11 0.00 0.00 30.24 25.49 1bjc n GLN 15 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1bjc s PHE 16 N -3.82 -0.04 0.00 1.08 5.36 -1.26 -3.99 117.98 115.31 1bjc s PHE 16 Ca 0.13 0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 1bjc s PHE 16 Cb -0.07 -0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.19 1bjc s PHE 16 CO 0.88 -0.32 0.00 1.28 -1.46 0.00 0.00 175.22 175.60 1bjc n LEU 17 N 5.31 0.00 -0.08 6.12 4.77 -1.26 -4.54 117.00 127.32 1bjc n LEU 17 Ca -0.05 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.86 1bjc n LEU 17 Cb 0.50 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1bjc n LEU 17 CO 0.06 0.00 -1.06 0.52 -1.33 0.00 0.00 177.39 175.58 1bjc n VAL 18 N -0.47 1.14 -0.08 4.08 0.31 -1.26 -3.91 118.33 118.14 1bjc n VAL 18 Ca 0.00 -0.74 -0.10 0.00 -0.01 0.00 0.00 64.34 63.49 1bjc n VAL 18 Cb 0.00 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 32.43 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 0.00 0.40 0.00 3.52 3.57 -1.80 0.10 116.94 122.73 1bjc h PHE 19 Ca -0.45 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1bjc h PHE 19 Cb 2.02 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.64 1bjc h PHE 19 CO 0.00 0.39 0.00 0.34 -2.23 0.00 0.00 178.31 176.81 1bjc n PHE 20 N -4.79 0.48 -1.96 0.41 7.35 -1.26 -1.29 117.46 116.41 1bjc n PHE 20 Ca -0.02 0.21 -0.13 0.00 -0.76 0.00 0.00 57.45 56.75 1bjc n PHE 20 Cb 0.12 -0.84 0.08 0.00 0.35 0.00 0.00 39.48 39.18 1bjc n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bjc n ALA 21 N -1.67 4.41 0.00 3.13 0.00 0.14 -3.90 120.51 122.62 1bjc n ALA 21 Ca 0.01 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1bjc n ALA 21 Cb 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1bjc n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bjc n GLU 22 N -0.79 0.00 0.01 0.00 4.07 0.00 -4.19 120.64 119.74 1bjc n GLU 22 Ca 0.34 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 57.23 1bjc n GLU 22 Cb 0.88 -0.30 -0.14 0.00 -0.06 0.00 0.00 31.44 31.82 1bjc n GLU 22 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1bjc n ASP 23 N -1.83 2.08 0.00 4.31 5.68 -0.41 -3.75 116.55 122.63 1bjc n ASP 23 Ca 0.00 0.22 -0.09 0.00 -0.50 0.00 0.00 54.79 54.42 1bjc n ASP 23 Cb 0.00 -0.84 -0.07 0.00 -1.14 0.00 0.00 41.12 39.07 1bjc n ASP 23 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1bjc h VAL 24 N 0.07 0.86 -2.02 2.12 2.07 -1.72 -3.49 116.25 114.14 1bjc h VAL 24 Ca -0.42 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 1bjc h VAL 24 Cb 2.04 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1bjc h VAL 24 CO 0.09 0.26 -0.00 0.61 0.02 0.00 0.00 177.57 178.55 1bjc n GLY 25 N 1.12 2.77 3.69 2.17 0.00 -1.26 -4.95 105.19 108.73 1bjc n GLY 25 Ca -0.06 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 1bjc n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bjc n SER 26 N -1.77 -2.36 -0.23 1.61 7.64 -1.26 -1.08 113.62 116.16 1bjc n SER 26 Ca -0.00 -0.56 0.10 0.00 1.01 0.00 0.00 58.87 59.42 1bjc n SER 26 Cb 0.01 -2.02 0.37 0.00 -1.01 0.00 0.00 64.21 61.56 1bjc n SER 26 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1bjc h ASN 27 N -0.76 0.65 -0.01 6.43 -1.24 -1.73 -3.39 115.58 115.53 1bjc h ASN 27 Ca -0.41 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1bjc h ASN 27 Cb 1.27 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.21 1bjc h ASN 27 CO 0.57 0.37 0.00 2.29 -1.29 0.00 0.00 177.43 179.37