#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brr n VAL 2 N 0.00 0.00 -3.79 -4.37 0.24 -1.26 -5.14 118.33 104.01 3brr n VAL 2 Ca 0.00 -1.47 -0.37 0.00 -2.04 0.00 0.00 64.34 60.46 3brr n VAL 2 Cb 0.00 0.66 -0.13 0.00 -1.47 0.00 0.00 33.84 32.90 3brr n VAL 2 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3brr s ASN 3 N -2.46 5.10 0.40 -1.34 4.22 -1.26 -5.09 114.94 114.51 3brr s ASN 3 Ca 0.20 -0.96 0.07 0.00 -2.14 0.00 0.00 52.86 50.03 3brr s ASN 3 Cb 0.01 -1.84 -0.06 0.00 1.28 0.00 0.00 41.25 40.64 3brr s ASN 3 CO 0.14 -0.25 0.10 0.00 -2.04 0.00 0.00 177.10 175.05 3brr s GLN 4 N 1.42 2.11 -0.14 3.55 -2.07 -1.26 -5.10 119.66 118.17 3brr s GLN 4 Ca -0.00 -1.92 -0.29 0.00 -1.82 0.00 0.00 55.36 51.33 3brr s GLN 4 Cb -0.18 -1.86 -0.01 0.00 -1.09 0.00 0.00 33.01 29.87 3brr s GLN 4 CO 0.02 -0.05 1.02 -1.01 -1.32 0.00 0.00 175.29 173.94 3brr s HIS 5 N -2.62 3.45 -0.16 9.60 3.76 -1.26 -5.03 115.29 123.03 3brr s HIS 5 Ca 0.38 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.85 3brr s HIS 5 Cb 0.05 -3.22 0.01 0.00 1.11 0.00 0.00 32.58 30.53 3brr s HIS 5 CO 0.21 -0.33 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.05 3brr s LEU 6 N 2.36 2.18 0.03 0.89 1.43 -1.26 -5.04 118.68 119.27 3brr s LEU 6 Ca 0.47 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3brr s LEU 6 Cb -0.17 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3brr s LEU 6 CO 0.15 0.06 -0.08 0.00 0.23 0.00 0.00 176.35 176.70 3brr n GLY 8 N 1.78 3.10 0.28 0.00 0.00 -1.26 -2.33 105.19 106.75 3brr n GLY 8 Ca -0.20 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.77 3brr n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3brr h SER 9 N 2.87 0.00 -0.14 1.61 4.64 -2.00 -1.17 113.55 119.36 3brr h SER 9 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3brr h SER 9 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3brr h SER 9 CO 0.00 0.05 0.07 0.45 -0.87 0.00 0.00 176.83 176.53 3brr h HIS 10 N 0.00 0.24 -0.07 4.77 -0.00 -1.87 -0.64 115.15 117.58 3brr h HIS 10 Ca -0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 3brr h HIS 10 Cb 0.12 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 3brr h HIS 10 CO 0.00 0.20 -0.15 1.25 -0.00 0.00 0.00 177.93 179.23 3brr h LEU 11 N 0.25 0.25 -1.26 2.43 5.85 -1.29 -2.00 115.31 119.54 3brr h LEU 11 Ca 0.06 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.25 3brr h LEU 11 Cb 0.06 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3brr h LEU 11 CO -0.01 0.78 0.52 0.58 -0.34 0.00 0.00 178.44 179.97 3brr h VAL 12 N -0.26 1.11 -0.07 1.05 2.07 -1.48 -1.03 116.25 117.64 3brr h VAL 12 Ca 0.00 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3brr h VAL 12 Cb 0.75 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3brr h VAL 12 CO 0.03 0.17 -0.44 -0.33 0.02 0.00 0.00 177.57 177.03 3brr h GLU 13 N 0.94 0.16 -0.30 1.57 5.08 -1.01 -0.63 114.58 120.39 3brr h GLU 13 Ca 0.32 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.43 3brr h GLU 13 Cb 0.08 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3brr h GLU 13 CO -0.10 0.57 -0.48 0.00 -1.00 0.00 0.00 179.01 178.00 3brr h ALA 14 N 1.42 0.58 -0.84 3.43 0.00 -0.92 -2.10 119.26 120.82 3brr h ALA 14 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3brr h ALA 14 Cb 0.83 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3brr h ALA 14 CO 0.06 0.68 0.56 -0.07 0.00 0.00 0.00 179.25 180.48 3brr h LEU 15 N 0.64 0.97 -0.35 0.00 3.38 -0.86 -0.85 115.31 118.23 3brr h LEU 15 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3brr h LEU 15 Cb 1.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3brr h LEU 15 CO 0.11 0.70 0.22 0.22 0.09 0.00 0.00 178.44 179.77 3brr h TYR 16 N 1.14 0.46 -0.38 1.13 3.20 -0.85 0.19 116.97 121.87 3brr h TYR 16 Ca 0.31 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 3brr h TYR 16 Cb -0.13 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 3brr h TYR 16 CO -0.01 0.32 0.23 1.25 -1.64 0.00 0.00 178.16 178.31 3brr h LEU 17 N 0.46 0.45 -0.25 2.82 5.85 -1.05 0.18 115.31 123.78 3brr h LEU 17 Ca 0.13 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3brr h LEU 17 Cb -0.01 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3brr h LEU 17 CO -0.02 0.38 -0.32 0.58 -0.34 0.00 0.00 178.44 178.71 3brr h VAL 18 N 0.49 1.31 0.06 1.05 2.07 -0.94 -3.38 116.25 116.92 3brr h VAL 18 Ca 0.14 -1.51 -0.37 0.00 0.82 0.00 0.00 66.70 65.77 3brr h VAL 18 Cb 0.01 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3brr h VAL 18 CO -0.03 0.48 -2.21 0.00 0.02 0.00 0.00 177.57 175.84 3brr n GLY 20 N 2.09 2.73 0.31 0.00 0.00 0.65 -1.70 105.19 109.27 3brr n GLY 20 Ca -0.37 0.29 0.18 0.00 0.00 0.00 0.00 46.02 46.11 3brr n GLY 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3brr h GLU 21 N 0.00 0.00 -0.05 1.61 -0.00 -1.95 -1.01 114.58 113.18 3brr h GLU 21 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.26 3brr h GLU 21 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 3brr h GLU 21 CO 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 179.01 178.59 3brr h ARG 22 N 0.00 0.11 0.00 1.06 3.08 -1.74 -3.49 114.38 113.40 3brr h ARG 22 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3brr h ARG 22 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3brr h ARG 22 CO 0.00 0.52 0.00 0.41 -1.07 0.00 0.00 179.97 179.83 3brr n GLY 23 N -0.23 -0.69 3.74 0.04 0.00 -0.38 -5.08 105.19 102.58 3brr n GLY 23 Ca -0.02 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 3brr n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3brr s PHE 24 N -1.78 -0.21 0.08 1.61 -0.12 -1.26 -4.76 117.98 111.55 3brr s PHE 24 Ca 0.00 -0.19 0.09 0.00 -0.05 0.00 0.00 56.93 56.78 3brr s PHE 24 Cb 0.00 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.98 3brr s PHE 24 CO 0.00 -1.13 -0.25 -0.59 -0.05 0.00 0.00 175.22 173.20 3brr s PHE 25 N -3.89 2.16 -0.55 3.49 -0.71 -1.26 -5.10 117.98 112.12 3brr s PHE 25 Ca 0.10 -0.40 0.04 0.00 -1.04 0.00 0.00 56.93 55.63 3brr s PHE 25 Cb -0.04 -1.23 0.16 0.00 -1.21 0.00 0.00 43.02 40.69 3brr s PHE 25 CO 0.03 0.20 0.38 -0.47 -1.34 0.00 0.00 175.22 174.02 3brr s TYR 26 N -0.94 2.48 -0.22 3.49 5.04 -1.26 -5.09 117.35 120.85 3brr s TYR 26 Ca 0.11 -2.83 -0.08 0.00 -2.44 0.00 0.00 57.07 51.83 3brr s TYR 26 Cb -0.10 -2.02 -0.04 0.00 0.35 0.00 0.00 41.96 40.16 3brr s TYR 26 CO 0.04 -0.69 0.08 0.95 -1.34 0.00 0.00 175.55 174.59 3brr s THR 27 N -0.53 4.64 0.14 4.34 -4.23 -1.26 -5.10 115.64 113.64 3brr s THR 27 Ca 0.25 -0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3brr s THR 27 Cb -0.08 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 3brr s THR 27 CO -0.12 0.38 0.32 -2.84 -0.54 0.00 0.00 174.62 171.81 3brr s PRO 28 N 1.11 3.50 0.57 3.99 0.02 -1.26 -5.09 135.00 137.85 3brr s PRO 28 Ca 0.05 -0.36 -0.18 0.00 0.02 0.00 0.00 61.00 60.53 3brr s PRO 28 Cb -0.14 -2.92 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 3brr s PRO 28 CO 0.04 0.49 1.09 0.15 -0.33 0.00 0.00 177.00 178.44 3brr s LYS 29 N -2.94 3.32 0.00 5.54 3.01 -1.26 -5.36 119.74 122.05 3brr s LYS 29 Ca 0.37 1.40 0.01 0.00 -1.01 0.00 0.00 55.97 56.74 3brr s LYS 29 Cb -0.12 -2.02 0.06 0.00 -1.01 0.00 0.00 37.83 34.74 3brr s LYS 29 CO 0.28 -0.84 0.55 0.00 0.51 0.00 0.00 175.35 175.86