#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 0.00 -3.48 2.12 0.00 -1.26 -5.01 120.51 112.88 1bjc n ALA 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1bjc n ALA 2 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1bjc n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bjc s GLU 3 N -1.94 2.52 -0.47 0.00 2.02 -1.26 -4.95 118.70 114.62 1bjc s GLU 3 Ca 0.00 -1.70 -0.05 0.00 0.02 0.00 0.00 54.97 53.24 1bjc s GLU 3 Cb 0.00 -3.91 -0.05 0.00 0.10 0.00 0.00 34.13 30.28 1bjc s GLU 3 CO 0.00 -1.15 3.02 1.19 0.02 0.00 0.00 175.26 178.34 1bjc n PHE 4 N 4.92 1.24 -2.63 1.61 3.01 -1.26 -4.03 117.46 120.32 1bjc n PHE 4 Ca -0.08 -1.96 -0.17 0.00 1.01 0.00 0.00 57.45 56.25 1bjc n PHE 4 Cb 0.41 -1.56 0.01 0.00 -0.01 0.00 0.00 39.48 38.33 1bjc n PHE 4 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1bjc n ARG 5 N 1.63 2.08 -4.05 -1.08 0.63 -1.26 -4.94 116.66 109.66 1bjc n ARG 5 Ca 0.50 -3.80 -0.33 0.00 -0.92 0.00 0.00 57.85 53.31 1bjc n ARG 5 Cb 0.62 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.84 1bjc n ARG 5 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1bjc n HIS 6 N -0.21 -2.07 -2.57 -0.14 8.25 -1.26 -4.85 115.22 112.37 1bjc n HIS 6 Ca 0.22 0.86 -0.43 0.00 -0.26 0.00 0.00 57.72 58.12 1bjc n HIS 6 Cb 0.73 -3.54 -0.00 0.00 1.12 0.00 0.00 29.99 28.30 1bjc n HIS 6 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1bjc s ASP 7 N -3.30 6.80 0.43 0.41 1.11 -1.26 -4.75 116.67 116.12 1bjc s ASP 7 Ca 0.70 -2.40 0.16 0.00 0.18 0.00 0.00 52.55 51.18 1bjc s ASP 7 Cb -0.37 -2.58 0.95 0.00 1.07 0.00 0.00 42.92 42.00 1bjc s ASP 7 CO 0.87 -1.21 1.94 -1.28 1.18 0.00 0.00 175.17 176.67 1bjc h SER 8 N 7.68 0.00 0.00 0.27 0.87 -1.93 -3.46 113.55 116.97 1bjc h SER 8 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1bjc h SER 8 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1bjc h SER 8 CO 1.46 0.25 0.00 0.61 -0.53 0.00 0.00 176.83 178.61 1bjc n GLY 9 N -0.75 2.48 3.59 5.77 0.00 -1.26 -4.90 105.19 110.12 1bjc n GLY 9 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.15 -0.30 -0.30 1.61 5.04 -1.26 -5.13 117.35 114.86 1bjc s TYR 10 Ca 0.00 0.08 -0.09 0.00 -2.44 0.00 0.00 57.07 54.62 1bjc s TYR 10 Cb 0.00 0.58 0.18 0.00 0.35 0.00 0.00 41.96 43.08 1bjc s TYR 10 CO 0.00 -0.72 0.98 -2.00 -1.34 0.00 0.00 175.55 172.47 1bjc s GLU 11 N -3.32 0.22 0.32 4.97 2.12 -1.26 -5.03 118.70 116.72 1bjc s GLU 11 Ca 0.07 0.28 0.05 0.00 0.36 0.00 0.00 54.97 55.73 1bjc s GLU 11 Cb -0.01 0.14 0.56 0.00 0.26 0.00 0.00 34.13 35.08 1bjc s GLU 11 CO -0.05 -0.35 1.81 0.28 -0.54 0.00 0.00 175.26 176.40 1bjc h VAL 12 N 5.00 1.23 0.00 3.70 2.07 -2.03 -3.46 116.25 122.76 1bjc h VAL 12 Ca -0.10 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1bjc h VAL 12 Cb 1.18 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1bjc h VAL 12 CO -0.06 0.34 0.00 1.57 0.02 0.00 0.00 177.57 179.44 1bjc n HIS 13 N -4.19 0.00 -3.61 1.57 -0.00 -1.26 -4.89 115.22 102.84 1bjc n HIS 13 Ca -0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1bjc n HIS 13 Cb 0.34 -1.58 -0.06 0.00 -0.12 0.00 0.00 29.99 28.57 1bjc n HIS 13 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1bjc s HIS 14 N -1.19 -0.45 0.00 1.57 -3.43 -1.26 -5.05 115.29 105.48 1bjc s HIS 14 Ca 0.00 0.99 0.00 0.00 -0.80 0.00 0.00 55.06 55.25 1bjc s HIS 14 Cb 0.00 0.39 0.00 0.00 -1.43 0.00 0.00 32.58 31.54 1bjc s HIS 14 CO 0.00 -0.28 0.71 0.00 -2.00 0.00 0.00 174.74 173.17 1bjc n GLN 15 N 1.70 0.00 -0.10 -0.38 -0.00 -1.26 -4.97 117.38 112.37 1bjc n GLN 15 Ca -0.12 -0.57 -0.11 0.00 -0.00 0.00 0.00 57.00 56.20 1bjc n GLN 15 Cb 0.56 0.34 -0.03 0.00 -0.00 0.00 0.00 30.24 31.11 1bjc n GLN 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1bjc h PHE 16 N 0.00 0.57 -0.78 2.61 3.57 -1.98 0.15 116.94 121.08 1bjc h PHE 16 Ca -0.33 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1bjc h PHE 16 Cb 1.14 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1bjc h PHE 16 CO -0.19 0.65 0.49 -0.07 -2.23 0.00 0.00 178.31 176.96 1bjc h LEU 17 N 0.33 0.91 -0.44 0.59 4.07 -1.98 -0.59 115.31 118.20 1bjc h LEU 17 Ca 0.09 -0.04 -0.17 0.00 0.08 0.00 0.00 57.88 57.84 1bjc h LEU 17 Cb 0.41 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1bjc h LEU 17 CO 0.01 0.68 -0.54 0.58 -1.08 0.00 0.00 178.44 178.10 1bjc h VAL 18 N 1.06 1.30 -0.28 1.22 2.07 -1.73 -0.33 116.25 119.57 1bjc h VAL 18 Ca 0.28 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 1bjc h VAL 18 Cb -0.08 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1bjc h VAL 18 CO -0.06 0.56 0.16 0.15 0.02 0.00 0.00 177.57 178.40 1bjc h PHE 19 N 0.53 0.38 -0.30 1.57 3.57 0.29 -1.96 116.94 121.02 1bjc h PHE 19 Ca 0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1bjc h PHE 19 Cb 1.11 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1bjc h PHE 19 CO 0.06 0.30 0.15 0.74 -2.23 0.00 0.00 178.31 177.32 1bjc h PHE 20 N 0.35 0.27 0.00 0.41 -1.00 -1.02 -0.99 116.94 114.95 1bjc h PHE 20 Ca 0.10 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1bjc h PHE 20 Cb 0.04 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1bjc h PHE 20 CO -0.04 0.15 0.00 0.00 -1.61 0.00 0.00 178.31 176.81 1bjc n ALA 21 N -2.24 1.73 -0.49 2.45 0.00 -0.15 -0.71 120.51 121.11 1bjc n ALA 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1bjc n ALA 21 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1bjc n ALA 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bjc n GLU 22 N -0.25 -0.29 0.00 0.00 -0.58 -0.38 -1.35 120.64 117.79 1bjc n GLU 22 Ca 0.00 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 1bjc n GLU 22 Cb 0.02 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1bjc n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bjc n ASP 23 N -0.03 1.77 -0.01 1.62 8.00 -0.74 -4.76 116.55 122.41 1bjc n ASP 23 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1bjc n ASP 23 Cb 0.15 0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.17 1bjc n ASP 23 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bjc h VAL 24 N 0.00 1.22 -2.57 2.53 2.07 -1.18 -3.48 116.25 114.84 1bjc h VAL 24 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1bjc h VAL 24 Cb 0.41 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1bjc h VAL 24 CO 0.00 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.85 1bjc n GLY 25 N 1.67 5.99 2.61 2.17 0.00 -1.16 -5.03 105.19 111.45 1bjc n GLY 25 Ca -0.22 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 1bjc n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bjc n SER 26 N -0.56 -2.19 0.00 1.61 3.41 -0.91 -3.02 113.62 111.97 1bjc n SER 26 Ca 0.00 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 1bjc n SER 26 Cb 0.00 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1bjc n SER 26 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1bjc n ASN 27 N 1.70 0.00 0.00 4.04 0.23 -0.45 -5.02 115.26 115.76 1bjc n ASN 27 Ca 0.13 -0.75 0.00 0.00 -0.53 0.00 0.00 54.58 53.43 1bjc n ASN 27 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 1bjc n ASN 27 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62