#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 2.43 -3.71 2.24 0.00 -1.26 -5.03 120.51 115.18 2roz n ALA 2 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 2roz n ALA 2 Cb 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.22 0.59 0.60 0.00 0.00 -1.26 -5.14 121.76 114.33 2roz s ALA 3 Ca -0.05 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 2roz s ALA 3 Cb 0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 2roz s ALA 3 CO 0.07 -0.72 1.06 0.08 0.00 0.00 0.00 175.76 176.25 2roz s VAL 4 N 2.03 3.78 0.29 0.00 1.01 -1.26 -5.02 120.40 121.23 2roz s VAL 4 Ca 0.03 0.83 -0.25 0.00 0.00 0.00 0.00 61.98 62.59 2roz s VAL 4 Cb -0.14 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2roz s VAL 4 CO -0.06 -0.51 0.89 -0.89 0.00 0.00 0.00 175.10 174.54 2roz s THR 5 N -2.47 4.28 -0.08 3.92 2.01 -1.26 -5.00 115.64 117.04 2roz s THR 5 Ca 0.64 1.73 -0.23 0.00 0.31 0.00 0.00 61.69 64.14 2roz s THR 5 Cb -0.16 -4.01 -0.19 0.00 0.01 0.00 0.00 72.50 68.15 2roz s THR 5 CO 0.38 0.20 0.86 1.55 -0.69 0.00 0.00 174.62 176.92 2roz h PRO 6 N 3.34 -0.08 -0.31 4.92 0.13 -2.00 -2.81 132.00 135.20 2roz h PRO 6 Ca -0.47 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.74 2roz h PRO 6 Cb 1.19 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 2roz h PRO 6 CO 0.65 0.52 -0.18 1.49 -0.23 0.00 0.00 178.00 180.26 2roz h GLU 7 N -0.83 -0.14 -0.25 0.86 4.57 -2.00 -1.60 114.58 115.18 2roz h GLU 7 Ca -0.01 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2roz h GLU 7 Cb 0.63 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 2roz h GLU 7 CO 0.01 -0.09 -0.19 1.49 -1.18 0.00 0.00 179.01 179.06 2roz h GLU 8 N -0.14 -0.17 -0.37 1.92 4.22 -1.99 -2.33 114.58 115.72 2roz h GLU 8 Ca 0.16 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.65 2roz h GLU 8 Cb 0.39 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2roz h GLU 8 CO -0.39 -0.11 -0.50 0.00 -2.18 0.00 0.00 179.01 175.83 2roz h ARG 9 N -0.18 -0.34 -0.92 1.92 3.08 -1.04 1.44 114.38 118.34 2roz h ARG 9 Ca 0.14 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.45 2roz h ARG 9 Cb 0.39 0.08 -0.17 0.00 0.08 0.00 0.00 29.97 30.35 2roz h ARG 9 CO -0.36 -0.23 0.02 1.25 -1.07 0.00 0.00 179.97 179.59 2roz h HIS 10 N -0.35 -0.05 0.28 3.04 2.76 -0.91 0.80 115.15 120.72 2roz h HIS 10 Ca 0.06 0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2roz h HIS 10 Cb 0.53 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2roz h HIS 10 CO -0.72 -0.36 -0.14 -0.07 -1.30 0.00 0.00 177.93 175.34 2roz h LEU 11 N 0.05 -0.32 -1.79 0.26 3.38 -0.18 -2.70 115.31 114.01 2roz h LEU 11 Ca 0.54 -0.20 0.21 0.00 0.09 0.00 0.00 57.88 58.51 2roz h LEU 11 Cb 1.06 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2roz h LEU 11 CO -0.84 0.08 0.70 -1.28 0.09 0.00 0.00 178.44 177.19 2roz h SER 12 N -0.78 0.00 -0.21 -0.43 0.87 0.50 0.91 113.55 114.40 2roz h SER 12 Ca -0.04 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 2roz h SER 12 Cb 0.51 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2roz h SER 12 CO 0.06 0.00 -0.22 0.50 -0.53 0.00 0.00 176.83 176.64 2roz h LYS 13 N 0.00 0.53 -0.00 2.24 3.64 0.76 -3.11 116.57 120.62 2roz h LYS 13 Ca 0.34 -0.28 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 2roz h LYS 13 Cb 1.73 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.54 2roz h LYS 13 CO -0.00 0.87 -0.78 0.52 -2.27 0.00 0.00 179.45 177.79 2roz h MET 14 N 0.21 0.03 -0.46 1.90 2.86 0.79 0.70 114.93 120.96 2roz h MET 14 Ca 0.03 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.78 2roz h MET 14 Cb 0.78 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 2roz h MET 14 CO 0.06 0.79 0.37 1.96 1.06 0.00 0.00 176.91 181.14 2roz h GLN 15 N 0.01 0.00 0.00 1.72 4.20 -0.15 -3.04 115.11 117.85 2roz h GLN 15 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2roz h GLN 15 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 2roz h GLN 15 CO 0.10 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.30 2roz n GLN 16 N -4.17 0.00 -0.29 1.46 6.02 -1.16 -4.84 117.38 114.40 2roz n GLN 16 Ca 0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.17 2roz n GLN 16 Cb 0.57 0.00 0.21 0.00 1.02 0.00 0.00 30.24 32.04 2roz n GLN 16 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2roz n ASN 17 N -0.68 -0.15 -0.68 1.08 3.02 0.01 -4.86 115.26 113.00 2roz n ASN 17 Ca 0.00 1.41 0.07 0.00 -0.03 0.00 0.00 54.58 56.03 2roz n ASN 17 Cb 0.00 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 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 -1.45 -1.93 3.14 7.41 0.00 0.03 -4.90 105.19 107.49 2roz n GLY 18 Ca 0.18 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.18 1.71 -0.31 1.61 5.04 -1.26 -4.74 117.35 118.22 2roz s TYR 19 Ca 0.00 -0.48 0.01 0.00 -2.44 0.00 0.00 57.07 54.16 2roz s TYR 19 Cb 0.00 -1.15 0.09 0.00 0.35 0.00 0.00 41.96 41.25 2roz s TYR 19 CO 0.00 -0.16 0.06 -2.00 -1.34 0.00 0.00 175.55 172.11 2roz s GLU 20 N 0.00 1.06 -0.11 4.97 2.12 -1.26 -5.09 118.70 120.40 2roz s GLU 20 Ca -0.03 -1.29 -0.33 0.00 0.36 0.00 0.00 54.97 53.68 2roz s GLU 20 Cb -0.11 -2.45 -0.11 0.00 0.26 0.00 0.00 34.13 31.72 2roz s GLU 20 CO 0.02 -0.91 1.95 -1.71 -0.54 0.00 0.00 175.26 174.07 2roz n ASN 21 N 4.65 3.39 0.09 -1.70 2.85 -1.26 -4.84 115.26 118.44 2roz n ASN 21 Ca -0.02 0.85 -0.07 0.00 -0.11 0.00 0.00 54.58 55.24 2roz n ASN 21 Cb 0.42 -1.39 0.03 0.00 1.24 0.00 0.00 39.78 40.09 2roz n ASN 21 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2roz h PRO 22 N 10.12 0.16 -0.74 1.20 0.13 -2.07 -3.21 132.00 137.60 2roz h PRO 22 Ca -0.46 -0.16 0.14 0.00 -0.87 0.00 0.00 66.00 64.65 2roz h PRO 22 Cb 1.27 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 2roz h PRO 22 CO 0.96 0.87 0.29 0.00 -0.23 0.00 0.00 178.00 179.89 2roz h THR 23 N 0.10 0.67 -0.89 1.56 1.03 -2.07 -3.42 112.91 109.89 2roz h THR 23 Ca -0.03 -0.15 -0.64 0.00 -0.01 0.00 0.00 66.41 65.58 2roz h THR 23 Cb 1.38 0.19 0.08 0.00 -1.07 0.00 0.00 68.15 68.73 2roz h THR 23 CO 0.12 0.08 -0.27 0.00 -0.01 0.00 0.00 175.52 175.44 2roz n TYR 24 N -5.00 -0.04 -2.97 0.00 9.36 -1.22 -4.93 117.16 112.35 2roz n TYR 24 Ca 0.14 0.89 -0.12 0.00 3.32 0.00 0.00 57.90 62.13 2roz n TYR 24 Cb 0.40 -1.79 -0.02 0.00 -0.63 0.00 0.00 39.34 37.30 2roz n TYR 24 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2roz n LYS 25 N 1.06 0.46 -0.73 2.98 4.81 -1.26 -4.99 118.16 120.48 2roz n LYS 25 Ca 0.17 -2.42 -0.13 0.00 -0.87 0.00 0.00 58.31 55.05 2roz n LYS 25 Cb 0.16 -1.52 0.05 0.00 0.02 0.00 0.00 35.03 33.75 2roz n LYS 25 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2roz n PHE 26 N 2.73 1.40 -1.37 5.64 -1.74 -1.26 -5.00 117.46 117.87 2roz n PHE 26 Ca 0.21 -1.57 0.18 0.00 -0.56 0.00 0.00 57.45 55.72 2roz n PHE 26 Cb 0.54 -0.77 -0.05 0.00 1.52 0.00 0.00 39.48 40.71 2roz n PHE 26 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 2roz n PHE 27 N 0.16 -3.47 -3.60 2.97 3.72 -1.26 -5.00 117.46 110.98 2roz n PHE 27 Ca 0.27 1.76 -0.16 0.00 -0.05 0.00 0.00 57.45 59.27 2roz n PHE 27 Cb 0.76 -3.15 -0.07 0.00 -0.94 0.00 0.00 39.48 36.08 2roz n PHE 27 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2roz s GLU 28 N -2.48 0.92 -0.41 -1.08 -1.05 -1.26 -5.12 118.70 108.22 2roz s GLU 28 Ca 0.00 0.29 0.06 0.00 -0.15 0.00 0.00 54.97 55.17 2roz s GLU 28 Cb 0.00 0.43 0.17 0.00 -0.44 0.00 0.00 34.13 34.29 2roz s GLU 28 CO 0.00 -0.25 0.54 -0.65 0.95 0.00 0.00 175.26 175.85 2roz s GLN 29 N -0.92 0.79 -0.15 -4.83 -1.52 -1.26 -5.13 119.66 106.64 2roz s GLN 29 Ca -0.09 -0.61 0.01 0.00 -1.95 0.00 0.00 55.36 52.72 2roz s GLN 29 Cb -0.02 -0.25 0.02 0.00 -0.22 0.00 0.00 33.01 32.54 2roz s GLN 29 CO 0.07 -1.21 -0.18 -1.64 -0.25 0.00 0.00 175.29 172.08 2roz s MET 30 N 1.55 2.66 -0.05 2.91 -1.94 -1.26 -5.10 119.30 118.08 2roz s MET 30 Ca 0.18 -0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 53.15 2roz s MET 30 Cb -0.07 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 2roz s MET 30 CO -0.06 -0.13 1.31 1.14 -0.01 0.00 0.00 175.02 177.27 2roz s GLN 31 N 1.15 4.30 0.00 2.03 -2.07 -1.26 -5.37 119.66 118.44 2roz s GLN 31 Ca -0.01 1.81 0.00 0.00 -1.82 0.00 0.00 55.36 55.35 2roz s GLN 31 Cb -0.14 -3.61 0.00 0.00 -1.09 0.00 0.00 33.01 28.17 2roz s GLN 31 CO -0.07 -0.55 0.00 0.27 -1.32 0.00 0.00 175.29 173.62