#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz s ALA 2 N 0.00 3.62 0.24 2.24 0.00 -1.26 -5.00 121.76 121.60 2roz s ALA 2 Ca 0.00 0.85 -0.00 0.00 0.00 0.00 0.00 51.96 52.80 2roz s ALA 2 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2roz s ALA 2 CO 0.00 -1.19 0.43 0.00 0.00 0.00 0.00 175.76 175.00 2roz s ALA 3 N 3.35 3.80 0.29 0.00 0.00 -1.26 -5.11 121.76 122.83 2roz s ALA 3 Ca 0.67 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.82 2roz s ALA 3 Cb -0.31 -2.01 0.05 0.00 0.00 0.00 0.00 23.12 20.84 2roz s ALA 3 CO 0.26 0.32 0.40 1.55 0.00 0.00 0.00 175.76 178.28 2roz n VAL 4 N -0.96 0.00 -2.80 0.00 3.14 -1.26 -5.09 118.33 111.36 2roz n VAL 4 Ca -0.05 -0.99 -0.38 0.00 -2.96 0.00 0.00 64.34 59.97 2roz n VAL 4 Cb 0.55 -0.73 -0.06 0.00 -1.06 0.00 0.00 33.84 32.54 2roz n VAL 4 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2roz s THR 5 N -0.85 4.21 -0.03 1.55 2.01 -1.26 -4.99 115.64 116.28 2roz s THR 5 Ca 0.30 1.85 -0.23 0.00 0.31 0.00 0.00 61.69 63.92 2roz s THR 5 Cb -0.02 -4.08 -0.22 0.00 0.01 0.00 0.00 72.50 68.19 2roz s THR 5 CO 0.19 0.24 1.09 1.55 -0.69 0.00 0.00 174.62 177.00 2roz h PRO 6 N 3.45 0.25 -0.16 4.92 0.13 -1.98 -1.93 132.00 136.68 2roz h PRO 6 Ca -0.46 -0.24 0.05 0.00 -0.87 0.00 0.00 66.00 64.47 2roz h PRO 6 Cb 1.19 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2roz h PRO 6 CO 0.66 0.93 0.42 1.49 -0.23 0.00 0.00 178.00 181.27 2roz h GLU 7 N -0.35 0.00 0.05 0.86 4.57 -1.99 0.24 114.58 117.95 2roz h GLU 7 Ca -0.03 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.84 2roz h GLU 7 Cb 1.03 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2roz h GLU 7 CO 0.06 0.00 -1.69 -1.91 -1.18 0.00 0.00 179.01 174.30 2roz n GLU 8 N -3.16 0.65 -0.31 1.92 4.07 -1.18 -3.65 120.64 118.99 2roz n GLU 8 Ca 0.02 0.41 0.03 0.00 -0.06 0.00 0.00 57.16 57.57 2roz n GLU 8 Cb 0.51 -1.71 0.23 0.00 -0.06 0.00 0.00 31.44 30.41 2roz n GLU 8 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2roz h ARG 9 N -0.52 1.02 -0.02 5.31 3.08 -0.12 1.56 114.38 124.70 2roz h ARG 9 Ca -0.41 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.52 2roz h ARG 9 Cb 1.65 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 2roz h ARG 9 CO -0.10 0.68 -0.27 1.25 -1.07 0.00 0.00 179.97 180.46 2roz h HIS 10 N 1.05 0.04 0.00 3.04 2.76 -0.81 -1.86 115.15 119.38 2roz h HIS 10 Ca 0.39 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.51 2roz h HIS 10 Cb 0.17 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2roz h HIS 10 CO -0.00 0.31 -0.38 -0.07 -1.30 0.00 0.00 177.93 176.49 2roz h LEU 11 N 0.04 0.00 -1.65 0.26 3.38 -0.89 -3.29 115.31 113.15 2roz h LEU 11 Ca 0.00 -0.29 0.44 0.00 0.09 0.00 0.00 57.88 58.12 2roz h LEU 11 Cb 0.50 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 2roz h LEU 11 CO 0.04 0.85 0.97 0.28 0.09 0.00 0.00 178.44 180.67 2roz h SER 12 N -1.00 0.16 -0.31 -0.43 0.02 0.21 1.65 113.55 113.86 2roz h SER 12 Ca -0.06 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2roz h SER 12 Cb 0.58 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2roz h SER 12 CO -0.04 -0.08 0.09 0.50 -1.14 0.00 0.00 176.83 176.16 2roz h LYS 13 N 0.08 0.48 0.00 3.45 3.64 -1.45 -2.67 116.57 120.10 2roz h LYS 13 Ca 0.78 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.94 2roz h LYS 13 Cb 2.71 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 34.44 2roz h LYS 13 CO -0.24 0.54 -0.55 0.52 -2.27 0.00 0.00 179.45 177.45 2roz h MET 14 N 0.34 0.00 -0.76 1.90 2.86 0.21 0.18 114.93 119.66 2roz h MET 14 Ca 0.10 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.92 2roz h MET 14 Cb 0.26 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 2roz h MET 14 CO -0.00 0.55 0.52 1.96 1.06 0.00 0.00 176.91 181.00 2roz h GLN 15 N 0.00 0.25 0.00 1.72 4.20 -0.00 -3.14 115.11 118.13 2roz h GLN 15 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2roz h GLN 15 Cb 1.05 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2roz h GLN 15 CO 0.07 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 2roz n GLN 16 N -4.43 0.00 -0.24 1.46 0.00 -1.13 -4.83 117.38 108.21 2roz n GLN 16 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 57.00 57.30 2roz n GLN 16 Cb 0.66 0.00 0.29 0.00 0.00 0.00 0.00 30.24 31.18 2roz n GLN 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2roz n ASN 17 N -0.78 0.03 -0.46 2.61 3.02 -0.04 -4.83 115.26 114.81 2roz n ASN 17 Ca 0.00 1.22 0.01 0.00 -0.03 0.00 0.00 54.58 55.78 2roz n ASN 17 Cb 0.00 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.67 2roz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2roz n GLY 18 N -1.31 -1.64 2.82 7.41 0.00 0.44 -4.90 105.19 108.02 2roz n GLY 18 Ca 0.21 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 2roz n GLY 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2roz s TYR 19 N -0.15 0.33 -0.31 1.61 6.14 -1.26 -4.62 117.35 119.09 2roz s TYR 19 Ca 0.00 -0.00 0.03 0.00 0.64 0.00 0.00 57.07 57.74 2roz s TYR 19 Cb 0.00 -0.43 0.09 0.00 0.42 0.00 0.00 41.96 42.04 2roz s TYR 19 CO 0.00 -0.14 0.00 -2.00 0.64 0.00 0.00 175.55 174.05 2roz s GLU 20 N 1.07 1.67 -0.46 4.97 2.12 -1.26 -5.06 118.70 121.75 2roz s GLU 20 Ca -0.09 -1.65 -0.37 0.00 0.36 0.00 0.00 54.97 53.22 2roz s GLU 20 Cb -0.13 -3.03 -0.14 0.00 0.26 0.00 0.00 34.13 31.08 2roz s GLU 20 CO -0.02 -0.82 2.24 -1.71 -0.54 0.00 0.00 175.26 174.41 2roz n ASN 21 N 4.35 1.60 -4.00 -1.70 2.85 -1.26 -4.76 115.26 112.34 2roz n ASN 21 Ca -0.02 0.41 -0.40 0.00 -0.11 0.00 0.00 54.58 54.46 2roz n ASN 21 Cb 0.42 -1.15 -0.03 0.00 1.24 0.00 0.00 39.78 40.26 2roz n ASN 21 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2roz n PRO 22 N 8.08 2.24 0.00 1.20 -0.04 -1.26 -3.23 135.00 141.99 2roz n PRO 22 Ca 0.47 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 2roz n PRO 22 Cb 0.16 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.34 2roz n PRO 22 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2roz n THR 23 N 6.11 0.00 -1.40 0.52 5.66 -1.26 -5.10 114.28 118.82 2roz n THR 23 Ca 0.49 0.00 -0.62 0.00 -3.05 0.00 0.00 64.05 60.87 2roz n THR 23 Cb 0.42 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.09 2roz n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roz n TYR 24 N -1.80 1.34 -3.83 1.09 9.36 -1.20 -4.89 117.16 117.23 2roz n TYR 24 Ca 0.00 0.88 -0.29 0.00 3.32 0.00 0.00 57.90 61.81 2roz n TYR 24 Cb 0.00 -2.26 -0.16 0.00 -0.63 0.00 0.00 39.34 36.29 2roz n TYR 24 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2roz s LYS 25 N 5.07 1.07 0.00 2.98 2.20 -1.26 -4.91 119.74 124.89 2roz s LYS 25 Ca 1.15 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2roz s LYS 25 Cb -1.50 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2roz s LYS 25 CO 0.71 -0.72 0.00 0.34 -0.36 0.00 0.00 175.35 175.32 2roz n PHE 26 N 4.82 -0.53 -1.97 4.03 -0.00 -1.26 -5.13 117.46 117.42 2roz n PHE 26 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.27 2roz n PHE 26 Cb 0.45 0.41 0.06 0.00 -0.00 0.00 0.00 39.48 40.39 2roz n PHE 26 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2roz n PHE 27 N -2.31 -3.53 -2.72 -5.13 3.72 -1.26 -5.09 117.46 101.13 2roz n PHE 27 Ca 0.00 -0.60 -0.05 0.00 -0.05 0.00 0.00 57.45 56.75 2roz n PHE 27 Cb 0.00 -0.34 0.03 0.00 -0.94 0.00 0.00 39.48 38.24 2roz n PHE 27 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2roz n GLU 28 N -1.89 0.43 -4.23 -1.08 2.13 -1.26 -5.16 120.64 109.59 2roz n GLU 28 Ca 0.07 -1.49 -0.14 0.00 0.66 0.00 0.00 57.16 56.26 2roz n GLU 28 Cb 0.23 -0.91 -0.10 0.00 0.27 0.00 0.00 31.44 30.93 2roz n GLU 28 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2roz s GLN 29 N 0.77 1.00 -0.13 5.31 -2.07 -1.26 -5.15 119.66 118.12 2roz s GLN 29 Ca 0.28 -1.39 -0.01 0.00 -1.82 0.00 0.00 55.36 52.42 2roz s GLN 29 Cb 0.11 -0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 31.47 2roz s GLN 29 CO -0.11 0.06 -0.11 -1.64 -1.32 0.00 0.00 175.29 172.17 2roz s MET 30 N -3.64 3.42 0.29 9.60 -1.94 -1.26 -4.99 119.30 120.77 2roz s MET 30 Ca 0.14 -0.65 0.11 0.00 -1.71 0.00 0.00 55.69 53.59 2roz s MET 30 Cb 0.02 -2.68 0.39 0.00 2.01 0.00 0.00 34.83 34.58 2roz s MET 30 CO -0.00 0.23 1.63 -0.56 -0.01 0.00 0.00 175.02 176.30 2roz h GLN 31 N 6.66 0.00 0.00 2.03 -0.00 -2.08 -3.58 115.11 118.14 2roz h GLN 31 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 2roz h GLN 31 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 2roz h GLN 31 CO 0.57 0.59 0.00 0.09 -0.00 0.00 0.00 178.83 180.08