#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz n ALA 2 N 0.00 2.16 -3.79 2.24 0.00 -1.26 -5.04 120.51 114.83 2roz n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2roz n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2roz n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roz s ALA 3 N -1.76 2.56 0.35 0.00 0.00 -1.26 -5.09 121.76 116.57 2roz s ALA 3 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 51.96 49.11 2roz s ALA 3 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2roz s ALA 3 CO 0.00 -2.05 0.00 1.33 0.00 0.00 0.00 175.76 175.04 2roz n VAL 4 N 3.35 0.00 -3.57 0.00 0.24 -1.26 -5.03 118.33 112.06 2roz n VAL 4 Ca 0.08 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.01 2roz n VAL 4 Cb 0.34 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 2roz n VAL 4 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2roz s THR 5 N 0.15 5.10 -0.59 3.34 2.01 -1.26 -4.97 115.64 119.43 2roz s THR 5 Ca 0.00 0.67 0.25 0.00 0.31 0.00 0.00 61.69 62.93 2roz s THR 5 Cb 0.00 -3.66 0.27 0.00 0.01 0.00 0.00 72.50 69.12 2roz s THR 5 CO 0.00 0.52 1.75 -0.81 -0.69 0.00 0.00 174.62 175.39 2roz n PRO 6 N 1.64 0.24 -0.10 4.92 -0.04 -1.26 -2.19 135.00 138.21 2roz n PRO 6 Ca -0.13 0.33 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 2roz n PRO 6 Cb 0.53 -1.86 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 2roz n PRO 6 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roz n GLU 7 N -2.29 0.66 0.24 0.54 4.07 -1.26 -3.76 120.64 118.85 2roz n GLU 7 Ca 0.04 0.22 0.08 0.00 -0.06 0.00 0.00 57.16 57.44 2roz n GLU 7 Cb 0.33 -1.57 0.61 0.00 -0.06 0.00 0.00 31.44 30.75 2roz n GLU 7 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2roz h GLU 8 N -0.22 0.00 -0.02 5.31 4.22 -1.97 -2.58 114.58 119.32 2roz h GLU 8 Ca -0.55 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.86 2roz h GLU 8 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2roz h GLU 8 CO -0.12 0.12 -0.07 0.00 -2.18 0.00 0.00 179.01 176.76 2roz h ARG 9 N 0.00 0.09 -0.20 1.92 3.08 -1.62 0.61 114.38 118.26 2roz h ARG 9 Ca -0.00 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.04 2roz h ARG 9 Cb 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2roz h ARG 9 CO 0.02 0.69 0.48 1.25 -1.07 0.00 0.00 179.97 181.33 2roz h HIS 10 N -0.48 0.00 0.04 3.04 2.76 -1.55 0.17 115.15 119.12 2roz h HIS 10 Ca -0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.83 2roz h HIS 10 Cb 0.70 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.62 2roz h HIS 10 CO 0.14 0.00 -1.86 1.28 -1.30 0.00 0.00 177.93 176.18 2roz n LEU 11 N -3.16 2.25 0.16 0.26 4.77 -1.11 -3.86 117.00 116.32 2roz n LEU 11 Ca 0.03 0.27 0.17 0.00 -0.03 0.00 0.00 56.01 56.46 2roz n LEU 11 Cb 0.58 -0.98 0.65 0.00 -2.33 0.00 0.00 43.42 41.34 2roz n LEU 11 CO 0.18 0.59 1.15 0.28 -1.33 0.00 0.00 177.39 178.26 2roz h SER 12 N -0.55 0.00 0.09 -1.43 0.02 0.17 0.18 113.55 112.04 2roz h SER 12 Ca -0.46 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2roz h SER 12 Cb 1.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2roz h SER 12 CO -0.14 0.00 -0.04 0.50 -1.14 0.00 0.00 176.83 176.00 2roz h LYS 13 N 0.00 -0.12 -0.98 3.45 3.11 -1.35 -3.32 116.57 117.36 2roz h LYS 13 Ca 0.14 0.01 0.24 0.00 -2.81 0.00 0.00 60.65 58.23 2roz h LYS 13 Cb 1.27 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 32.45 2roz h LYS 13 CO -0.00 -0.08 0.65 0.52 -2.81 0.00 0.00 179.45 177.72 2roz h MET 14 N -0.50 0.37 -0.97 1.90 2.86 -1.34 0.42 114.93 117.67 2roz h MET 14 Ca -0.01 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.70 2roz h MET 14 Cb 0.10 -0.08 -0.12 0.00 0.06 0.00 0.00 31.60 31.55 2roz h MET 14 CO 0.02 0.25 -0.56 1.04 1.06 0.00 0.00 176.91 178.72 2roz n GLN 15 N -4.55 -0.42 -0.00 1.72 6.02 0.52 -1.55 117.38 119.13 2roz n GLN 15 Ca 0.22 1.47 -0.03 0.00 -0.01 0.00 0.00 57.00 58.65 2roz n GLN 15 Cb 0.81 -2.16 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 2roz n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2roz n GLN 16 N -5.23 0.18 0.01 -1.09 0.00 -0.76 -4.59 117.38 105.90 2roz n GLN 16 Ca 0.02 0.07 0.22 0.00 0.00 0.00 0.00 57.00 57.32 2roz n GLN 16 Cb 0.26 -0.78 0.63 0.00 0.00 0.00 0.00 30.24 30.34 2roz n GLN 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2roz h ASN 17 N -0.34 0.00 -0.33 2.61 2.35 -0.38 -3.46 115.58 116.03 2roz h ASN 17 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2roz h ASN 17 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2roz h ASN 17 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2roz n GLY 18 N -1.55 -0.27 2.92 2.83 0.00 -0.51 -4.86 105.19 103.74 2roz n GLY 18 Ca 0.12 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.07 -0.33 1.61 5.04 -1.26 -4.46 117.35 118.02 2roz s TYR 19 Ca 0.00 -0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.47 2roz s TYR 19 Cb 0.00 -0.06 0.11 0.00 0.35 0.00 0.00 41.96 42.36 2roz s TYR 19 CO 0.00 -0.07 0.15 -2.00 -1.34 0.00 0.00 175.55 172.28 2roz s GLU 20 N -0.50 0.58 0.27 4.97 2.12 -1.26 -5.11 118.70 119.75 2roz s GLU 20 Ca -0.06 -1.05 -0.31 0.00 0.36 0.00 0.00 54.97 53.92 2roz s GLU 20 Cb -0.03 -1.62 -0.12 0.00 0.26 0.00 0.00 34.13 32.62 2roz s GLU 20 CO -0.00 -1.06 1.64 0.54 -0.54 0.00 0.00 175.26 175.83 2roz s ASN 21 N 1.52 6.37 0.29 -1.70 4.22 -1.26 -4.89 114.94 119.50 2roz s ASN 21 Ca 0.12 2.93 0.14 0.00 -2.14 0.00 0.00 52.86 53.91 2roz s ASN 21 Cb -0.19 -2.62 0.35 0.00 1.28 0.00 0.00 41.25 40.07 2roz s ASN 21 CO -0.21 -0.94 1.58 1.55 -2.04 0.00 0.00 177.10 177.04 2roz h PRO 22 N 5.48 0.00 -0.87 3.55 0.13 -2.06 -3.26 132.00 134.97 2roz h PRO 22 Ca -0.46 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.96 2roz h PRO 22 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 2roz h PRO 22 CO 0.85 0.55 0.18 -2.37 -0.23 0.00 0.00 178.00 176.98 2roz n THR 23 N -3.50 -0.36 -0.25 1.56 5.66 -1.26 -4.39 114.28 111.73 2roz n THR 23 Ca 0.00 1.85 -0.21 0.00 -3.05 0.00 0.00 64.05 62.64 2roz n THR 23 Cb 0.64 -2.81 0.20 0.00 -1.55 0.00 0.00 70.33 66.81 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 -5.14 -3.06 0.00 1.09 9.36 -1.23 -4.95 117.16 113.22 2roz n TYR 24 Ca 0.25 -0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.01 2roz n TYR 24 Cb 0.83 -1.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.51 2roz n TYR 24 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2roz n LYS 25 N -3.86 0.00 -2.85 2.98 5.02 -1.26 -5.11 118.16 113.08 2roz n LYS 25 Ca 0.09 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.36 2roz n LYS 25 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 2roz n LYS 25 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2roz n PHE 26 N 0.00 -3.10 -3.97 2.13 3.72 -1.26 -5.05 117.46 109.93 2roz n PHE 26 Ca 0.00 1.36 -0.09 0.00 -0.05 0.00 0.00 57.45 58.67 2roz n PHE 26 Cb 0.00 -3.34 -0.10 0.00 -0.94 0.00 0.00 39.48 35.10 2roz n PHE 26 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2roz s PHE 27 N -1.59 0.26 -0.37 1.38 0.08 -1.26 -4.99 117.98 111.49 2roz s PHE 27 Ca 0.04 -0.59 -0.10 0.00 0.12 0.00 0.00 56.93 56.39 2roz s PHE 27 Cb -0.01 -0.19 0.01 0.00 -0.57 0.00 0.00 43.02 42.26 2roz s PHE 27 CO 0.63 -0.32 0.34 0.39 -0.10 0.00 0.00 175.22 176.16 2roz n GLU 28 N 0.89 -2.74 -2.67 0.44 -0.58 -1.26 -5.03 120.64 109.69 2roz n GLU 28 Ca -0.20 2.31 -0.04 0.00 -0.42 0.00 0.00 57.16 58.82 2roz n GLU 28 Cb 0.58 -5.21 0.05 0.00 -0.57 0.00 0.00 31.44 26.29 2roz n GLU 28 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2roz n GLN 29 N 0.17 0.11 0.08 3.49 0.00 -1.26 -5.05 117.38 114.92 2roz n GLN 29 Ca 0.06 -0.75 0.00 0.00 -0.00 0.00 0.00 57.00 56.31 2roz n GLN 29 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 30.24 30.55 2roz n GLN 29 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2roz n MET 30 N 2.21 0.00 0.15 3.69 2.81 -1.26 -5.06 117.12 119.66 2roz n MET 30 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2roz n MET 30 Cb 0.67 -0.11 0.00 0.00 -0.71 0.00 0.00 33.22 33.07 2roz n MET 30 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2roz n GLN 31 N -3.17 0.00 0.00 0.03 6.02 -1.26 -5.34 117.38 113.66 2roz n GLN 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2roz n GLN 31 Cb 0.04 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.30 2roz n GLN 31 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34