#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 0.17 -1.14 2.12 0.00 -1.26 -5.06 121.76 116.59 2roz s ALA 2 Ca 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 2roz s ALA 2 Cb 0.00 1.08 0.25 0.00 0.00 0.00 0.00 23.12 24.45 2roz s ALA 2 CO 0.00 -0.83 1.91 0.00 0.00 0.00 0.00 175.76 176.84 2roz n ALA 3 N -0.47 6.03 -1.00 0.00 0.00 -1.26 -4.99 120.51 118.82 2roz n ALA 3 Ca -0.01 -4.48 0.00 0.00 0.00 0.00 0.00 53.44 48.94 2roz n ALA 3 Cb 0.62 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2roz n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2roz n VAL 4 N 0.99 0.00 -1.91 0.00 0.24 -1.26 -4.91 118.33 111.49 2roz n VAL 4 Ca 0.46 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.38 2roz n VAL 4 Cb 0.28 -0.08 0.03 0.00 -1.47 0.00 0.00 33.84 32.60 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 -0.83 2.35 -0.07 3.34 2.01 -1.26 -4.96 115.64 116.22 2roz s THR 5 Ca 0.00 0.26 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 2roz s THR 5 Cb 0.00 -3.13 -0.23 0.00 0.01 0.00 0.00 72.50 69.15 2roz s THR 5 CO 0.00 -0.01 1.03 1.55 -0.69 0.00 0.00 174.62 176.51 2roz h PRO 6 N 1.55 0.07 0.16 4.92 0.13 -2.00 -2.71 132.00 134.11 2roz h PRO 6 Ca -0.50 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2roz h PRO 6 Cb 1.29 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2roz h PRO 6 CO 0.58 0.80 -0.12 1.49 -0.23 0.00 0.00 178.00 180.52 2roz h GLU 7 N -0.64 -0.28 -0.56 0.86 4.57 -2.01 -2.59 114.58 113.94 2roz h GLU 7 Ca -0.01 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.30 2roz h GLU 7 Cb 0.82 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.39 2roz h GLU 7 CO 0.02 -0.18 0.04 1.49 -1.18 0.00 0.00 179.01 179.20 2roz h GLU 8 N -0.29 0.16 -0.21 1.92 4.57 -1.97 -2.31 114.58 116.45 2roz h GLU 8 Ca -0.01 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2roz h GLU 8 Cb 0.26 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 2roz h GLU 8 CO -0.01 0.10 -0.36 0.00 -1.18 0.00 0.00 179.01 177.57 2roz h ARG 9 N 0.16 -0.28 -0.97 1.92 3.08 -1.13 1.46 114.38 118.62 2roz h ARG 9 Ca 0.29 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.60 2roz h ARG 9 Cb 0.45 0.06 -0.18 0.00 0.08 0.00 0.00 29.97 30.38 2roz h ARG 9 CO -0.44 -0.19 -0.08 1.25 -1.07 0.00 0.00 179.97 179.44 2roz h HIS 10 N -0.29 -0.23 0.26 3.04 2.76 -1.12 0.48 115.15 120.04 2roz h HIS 10 Ca 0.04 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2roz h HIS 10 Cb 0.40 0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2roz h HIS 10 CO -0.64 -0.42 -0.12 -0.07 -1.30 0.00 0.00 177.93 175.38 2roz h LEU 11 N 0.01 -0.29 -1.49 0.26 3.38 -0.58 -2.45 115.31 114.15 2roz h LEU 11 Ca 0.54 -0.19 0.21 0.00 0.09 0.00 0.00 57.88 58.53 2roz h LEU 11 Cb 1.01 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2roz h LEU 11 CO -0.94 0.06 0.85 -1.28 0.09 0.00 0.00 178.44 177.21 2roz h SER 12 N -0.67 0.00 0.20 -0.43 0.87 0.63 0.70 113.55 114.85 2roz h SER 12 Ca -0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2roz h SER 12 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2roz h SER 12 CO 0.06 0.00 -0.10 0.50 -0.53 0.00 0.00 176.83 176.76 2roz h LYS 13 N 0.00 -0.26 0.00 2.24 3.64 -0.11 -3.22 116.57 118.86 2roz h LYS 13 Ca 0.35 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2roz h LYS 13 Cb 2.04 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 2roz h LYS 13 CO -0.00 -0.17 0.00 -1.33 -2.27 0.00 0.00 179.45 175.67 2roz n MET 14 N -4.21 0.00 0.20 1.90 2.81 0.28 0.22 117.12 118.33 2roz n MET 14 Ca -0.03 0.40 0.05 0.00 -1.81 0.00 0.00 57.70 56.31 2roz n MET 14 Cb 0.11 -1.50 0.41 0.00 -0.71 0.00 0.00 33.22 31.52 2roz n MET 14 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2roz h GLN 15 N 0.00 0.00 0.00 0.03 4.20 0.27 -3.22 115.11 116.39 2roz h GLN 15 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2roz h GLN 15 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2roz h GLN 15 CO 0.00 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 2roz n GLN 16 N -3.76 0.00 0.20 1.46 -0.00 -0.52 -4.83 117.38 109.93 2roz n GLN 16 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 57.06 2roz n GLN 16 Cb 0.43 -0.29 0.41 0.00 -0.00 0.00 0.00 30.24 30.79 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 0.00 0.00 0.00 2.61 2.35 0.25 -3.48 115.58 117.31 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 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2roz h ASN 17 CO 0.00 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 176.71 2roz n GLY 18 N 0.03 0.91 3.37 2.83 0.00 -0.55 -4.86 105.19 106.92 2roz n GLY 18 Ca -0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.59 -0.58 1.61 5.04 -1.26 -4.29 117.35 117.28 2roz s TYR 19 Ca 0.00 1.36 -0.07 0.00 -2.44 0.00 0.00 57.07 55.92 2roz s TYR 19 Cb 0.00 0.24 0.15 0.00 0.35 0.00 0.00 41.96 42.70 2roz s TYR 19 CO 0.00 -0.30 0.43 -2.00 -1.34 0.00 0.00 175.55 172.34 2roz s GLU 20 N 0.67 2.63 0.13 4.97 2.12 -1.26 -5.06 118.70 122.90 2roz s GLU 20 Ca -0.03 -2.18 -0.32 0.00 0.36 0.00 0.00 54.97 52.79 2roz s GLU 20 Cb -0.05 -3.89 -0.12 0.00 0.26 0.00 0.00 34.13 30.34 2roz s GLU 20 CO -0.04 -1.19 1.77 -1.71 -0.54 0.00 0.00 175.26 173.55 2roz n ASN 21 N 4.16 3.79 -3.07 -1.70 5.15 -1.26 -4.98 115.26 117.36 2roz n ASN 21 Ca 0.02 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 2roz n ASN 21 Cb 0.41 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.15 2roz n ASN 21 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2roz n PRO 22 N 4.96 0.72 0.00 1.20 -0.04 -1.26 -4.29 135.00 136.29 2roz n PRO 22 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2roz n PRO 22 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 2roz n PRO 22 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2roz n THR 23 N -0.62 0.00 -0.29 0.52 -1.04 -1.26 -4.51 114.28 107.08 2roz n THR 23 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 2roz n THR 23 Cb 0.00 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 68.82 2roz n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roz n TYR 24 N 0.00 0.64 -1.14 -1.42 9.36 -1.26 -4.89 117.16 118.46 2roz n TYR 24 Ca 0.00 1.01 0.00 0.00 3.32 0.00 0.00 57.90 62.23 2roz n TYR 24 Cb 0.00 -1.20 0.00 0.00 -0.63 0.00 0.00 39.34 37.51 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 -5.15 -3.02 -3.60 2.98 5.02 -1.26 -5.09 118.16 108.05 2roz n LYS 25 Ca 0.23 2.33 -0.04 0.00 -2.02 0.00 0.00 58.31 58.81 2roz n LYS 25 Cb 0.75 -2.89 -0.02 0.00 -0.02 0.00 0.00 35.03 32.85 2roz n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2roz s PHE 26 N -4.87 -0.12 -0.29 2.13 -0.71 -1.26 -5.08 117.98 107.77 2roz s PHE 26 Ca 0.00 0.07 -0.10 0.00 -1.04 0.00 0.00 56.93 55.86 2roz s PHE 26 Cb 0.00 0.51 0.01 0.00 -1.21 0.00 0.00 43.02 42.34 2roz s PHE 26 CO 0.00 -0.19 0.24 0.34 -1.34 0.00 0.00 175.22 174.27 2roz n PHE 27 N -0.10 -2.84 -2.16 3.49 7.35 -1.26 -4.88 117.46 117.05 2roz n PHE 27 Ca 0.00 1.22 -0.41 0.00 -0.76 0.00 0.00 57.45 57.50 2roz n PHE 27 Cb 0.58 -3.08 -0.03 0.00 0.35 0.00 0.00 39.48 37.31 2roz n PHE 27 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2roz s GLU 28 N -1.86 4.38 0.10 -4.13 8.01 -1.26 -4.94 118.70 119.00 2roz s GLU 28 Ca 0.12 2.15 -0.33 0.00 0.01 0.00 0.00 54.97 56.92 2roz s GLU 28 Cb -0.02 -3.11 -0.13 0.00 -4.31 0.00 0.00 34.13 26.55 2roz s GLU 28 CO 0.63 -0.19 1.58 1.96 0.01 0.00 0.00 175.26 179.25 2roz h GLN 29 N 4.04 -0.77 0.47 1.61 1.08 -2.03 -3.06 115.11 116.45 2roz h GLN 29 Ca -0.47 0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.75 2roz h GLN 29 Cb 1.22 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 2roz h GLN 29 CO 0.70 -0.51 -0.23 0.52 -0.95 0.00 0.00 178.83 178.36 2roz h MET 30 N -0.80 -0.61 -1.09 1.46 2.86 -2.03 -3.47 114.93 111.25 2roz h MET 30 Ca -0.02 0.04 0.27 0.00 -2.06 0.00 0.00 59.70 57.93 2roz h MET 30 Cb 0.75 0.14 -0.25 0.00 0.06 0.00 0.00 31.60 32.30 2roz h MET 30 CO -0.15 -0.37 0.95 1.14 1.06 0.00 0.00 176.91 179.54 2roz s GLN 31 N -5.78 0.07 0.00 1.72 1.03 -1.15 -5.27 119.66 110.29 2roz s GLN 31 Ca -0.16 -0.00 0.19 0.00 0.04 0.00 0.00 55.36 55.43 2roz s GLN 31 Cb 0.04 0.03 1.13 0.00 0.03 0.00 0.00 33.01 34.24 2roz s GLN 31 CO 0.61 -0.03 1.52 -1.71 -2.54 0.00 0.00 175.29 173.15