#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brr s VAL 2 N 0.00 5.13 0.79 -4.37 -7.23 -1.26 -5.10 120.40 108.36 3brr s VAL 2 Ca 0.00 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 59.55 3brr s VAL 2 Cb 0.00 -3.84 0.07 0.00 0.56 0.00 0.00 36.38 33.17 3brr s VAL 2 CO 0.00 -0.48 1.13 0.20 -0.31 0.00 0.00 175.10 175.64 3brr s ASN 3 N -3.89 4.11 0.05 4.85 0.02 -1.26 -5.06 114.94 113.76 3brr s ASN 3 Ca 0.39 2.03 -0.01 0.00 -1.02 0.00 0.00 52.86 54.26 3brr s ASN 3 Cb -0.10 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.59 3brr s ASN 3 CO 0.34 -2.31 -0.03 -1.10 0.02 0.00 0.00 177.10 174.02 3brr s GLN 4 N -4.56 0.59 -0.32 -0.60 -1.52 -1.26 -5.12 119.66 106.87 3brr s GLN 4 Ca 0.66 -1.16 -0.05 0.00 -1.95 0.00 0.00 55.36 52.85 3brr s GLN 4 Cb -0.21 0.17 0.04 0.00 -0.22 0.00 0.00 33.01 32.79 3brr s GLN 4 CO 0.53 -0.10 0.07 -1.58 -0.25 0.00 0.00 175.29 173.96 3brr s HIS 5 N -3.63 3.25 -0.19 0.91 5.65 -1.26 -5.08 115.29 114.94 3brr s HIS 5 Ca 0.05 -1.54 -0.02 0.00 0.25 0.00 0.00 55.06 53.80 3brr s HIS 5 Cb 0.06 -2.22 0.06 0.00 -1.18 0.00 0.00 32.58 29.29 3brr s HIS 5 CO -0.09 -0.74 0.01 -0.51 -0.65 0.00 0.00 174.74 172.76 3brr s LEU 6 N 1.36 1.39 0.13 8.88 1.43 -1.26 -5.03 118.68 125.58 3brr s LEU 6 Ca -0.03 -0.81 0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3brr s LEU 6 Cb -0.19 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 3brr s LEU 6 CO 0.02 -0.28 -0.20 0.00 0.23 0.00 0.00 176.35 176.12 3brr n GLY 8 N 0.72 2.83 0.35 0.00 0.00 -1.26 -2.23 105.19 105.60 3brr n GLY 8 Ca -0.17 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 6.82 0.42 -0.55 1.61 4.64 -2.00 -2.29 113.55 122.19 3brr h SER 9 Ca 0.00 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 3brr h SER 9 Cb 0.00 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 3brr h SER 9 CO 0.00 0.25 0.37 0.45 -0.87 0.00 0.00 176.83 177.03 3brr h HIS 10 N 0.47 0.47 -0.20 4.77 -0.00 -1.83 -0.36 115.15 118.47 3brr h HIS 10 Ca 0.29 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.65 3brr h HIS 10 Cb 0.51 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 3brr h HIS 10 CO -0.00 0.25 0.07 1.25 -0.00 0.00 0.00 177.93 179.50 3brr h LEU 11 N 0.47 0.29 -0.57 2.43 5.85 -1.45 -1.34 115.31 120.98 3brr h LEU 11 Ca 0.24 -0.19 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 3brr h LEU 11 Cb 0.35 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3brr h LEU 11 CO -0.07 0.41 -0.68 -0.37 -0.34 0.00 0.00 178.44 177.39 3brr h VAL 12 N 0.16 1.43 -0.81 1.05 -1.51 -1.42 -1.38 116.25 113.78 3brr h VAL 12 Ca 0.07 -2.19 0.05 0.00 -1.23 0.00 0.00 66.70 63.39 3brr h VAL 12 Cb 0.22 2.16 -0.05 0.00 -2.13 0.00 0.00 31.29 31.49 3brr h VAL 12 CO -0.00 0.64 0.53 -0.33 -1.23 0.00 0.00 177.57 177.18 3brr h GLU 13 N 0.12 0.93 -0.49 5.19 5.08 -1.04 -0.48 114.58 123.88 3brr h GLU 13 Ca -0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3brr h GLU 13 Cb 1.21 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3brr h GLU 13 CO 0.10 0.61 0.07 0.00 -1.00 0.00 0.00 179.01 178.79 3brr h ALA 14 N 1.54 0.65 -0.74 3.43 0.00 -0.72 -1.67 119.26 121.75 3brr h ALA 14 Ca 0.33 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3brr h ALA 14 Cb 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3brr h ALA 14 CO -0.10 0.40 0.39 -0.07 0.00 0.00 0.00 179.25 179.86 3brr h LEU 15 N 0.69 0.53 -0.79 0.00 3.38 -0.88 -0.16 115.31 118.08 3brr h LEU 15 Ca 0.15 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3brr h LEU 15 Cb 0.41 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3brr h LEU 15 CO 0.01 0.30 0.38 0.22 0.09 0.00 0.00 178.44 179.45 3brr h TYR 16 N 0.66 1.14 -0.17 1.13 3.20 -0.48 0.34 116.97 122.78 3brr h TYR 16 Ca 0.36 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 62.11 3brr h TYR 16 Cb 0.35 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3brr h TYR 16 CO -0.09 0.82 -0.16 1.25 -1.64 0.00 0.00 178.16 178.35 3brr h LEU 17 N 1.12 0.44 -0.71 2.82 5.85 -0.97 -0.20 115.31 123.65 3brr h LEU 17 Ca 0.27 -0.47 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 3brr h LEU 17 Cb 0.11 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3brr h LEU 17 CO -0.03 0.82 -0.02 0.58 -0.34 0.00 0.00 178.44 179.44 3brr h VAL 18 N 0.07 1.26 0.00 1.05 2.07 -0.86 -3.37 116.25 116.47 3brr h VAL 18 Ca 0.03 -1.13 -0.44 0.00 0.82 0.00 0.00 66.70 65.98 3brr h VAL 18 Cb 0.68 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3brr h VAL 18 CO 0.04 0.40 -2.52 0.00 0.02 0.00 0.00 177.57 175.52 3brr n GLY 20 N 1.58 3.26 0.34 0.00 0.00 -0.09 -2.13 105.19 108.15 3brr n GLY 20 Ca -0.52 0.17 0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.61 4.11 -1.96 0.17 114.58 118.51 3brr h GLU 21 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 3brr h GLU 21 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3brr h GLU 21 CO 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 179.01 178.85 3brr h ARG 22 N 0.00 0.00 0.00 1.06 3.08 -1.85 -3.49 114.38 113.18 3brr h ARG 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3brr h ARG 22 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3brr h ARG 22 CO -0.00 0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 3brr n GLY 23 N -0.01 -1.60 3.52 0.04 0.00 0.04 -5.08 105.19 102.10 3brr n GLY 23 Ca -0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.65 -0.31 -0.08 1.61 -0.71 -1.26 -4.74 117.98 110.84 3brr s PHE 24 Ca 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 56.93 55.91 3brr s PHE 24 Cb 0.00 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 3brr s PHE 24 CO 0.00 -0.93 -0.10 -0.06 -1.34 0.00 0.00 175.22 172.79 3brr s PHE 25 N -3.83 2.85 -0.37 3.49 0.40 -1.26 -5.09 117.98 114.17 3brr s PHE 25 Ca 0.06 -0.15 -0.07 0.00 -0.60 0.00 0.00 56.93 56.17 3brr s PHE 25 Cb -0.02 -1.72 0.06 0.00 0.51 0.00 0.00 43.02 41.85 3brr s PHE 25 CO -0.06 0.19 0.16 -0.47 0.70 0.00 0.00 175.22 175.73 3brr s TYR 26 N -0.54 3.31 -0.29 0.36 5.04 -1.26 -5.06 117.35 118.90 3brr s TYR 26 Ca 0.08 -1.56 0.01 0.00 -2.44 0.00 0.00 57.07 53.16 3brr s TYR 26 Cb -0.12 -2.56 0.09 0.00 0.35 0.00 0.00 41.96 39.72 3brr s TYR 26 CO 0.02 -0.79 0.03 0.99 -1.34 0.00 0.00 175.55 174.46 3brr s THR 27 N 1.38 1.53 0.14 4.34 2.01 -1.26 -5.10 115.64 118.68 3brr s THR 27 Ca 0.01 -1.62 -0.22 0.00 0.31 0.00 0.00 61.69 60.16 3brr s THR 27 Cb -0.21 -2.02 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 3brr s THR 27 CO 0.02 -0.45 0.68 -2.16 -0.69 0.00 0.00 174.62 172.02 3brr s PRO 28 N 1.32 4.36 -0.54 4.92 0.04 -1.26 -5.03 135.00 138.81 3brr s PRO 28 Ca 0.05 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 3brr s PRO 28 Cb -0.18 -3.18 0.14 0.00 0.04 0.00 0.00 34.50 31.32 3brr s PRO 28 CO -0.13 0.57 0.34 0.15 0.04 0.00 0.00 177.00 177.96 3brr s LYS 29 N -1.29 2.28 0.00 4.56 -0.14 -1.26 -5.34 119.74 118.55 3brr s LYS 29 Ca 0.34 -2.35 0.09 0.00 -1.36 0.00 0.00 55.97 52.70 3brr s LYS 29 Cb -0.20 -3.60 0.56 0.00 -1.68 0.00 0.00 37.83 32.90 3brr s LYS 29 CO 0.23 -1.13 1.00 0.00 -0.76 0.00 0.00 175.35 174.69