#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 0.20 -0.43 2.24 0.00 -1.26 -4.94 121.76 117.58 2roz s ALA 2 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 2roz s ALA 2 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2roz s ALA 2 CO 0.00 0.04 0.50 0.00 0.00 0.00 0.00 175.76 176.30 2roz n ALA 3 N 3.09 -2.74 -2.74 0.00 0.00 -1.26 -5.04 120.51 111.82 2roz n ALA 3 Ca -0.13 0.58 -0.27 0.00 0.00 0.00 0.00 53.44 53.62 2roz n ALA 3 Cb 0.59 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.67 2roz n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2roz s VAL 4 N -2.54 4.19 0.42 0.00 0.11 -1.26 -5.11 120.40 116.22 2roz s VAL 4 Ca 0.12 -1.16 -0.23 0.00 -2.93 0.00 0.00 61.98 57.79 2roz s VAL 4 Cb -0.03 -3.11 -0.09 0.00 -1.53 0.00 0.00 36.38 31.62 2roz s VAL 4 CO 0.60 -0.07 1.02 0.28 -3.33 0.00 0.00 175.10 173.60 2roz s THR 5 N -1.67 3.90 -0.85 5.04 -1.32 -1.26 -4.91 115.64 114.57 2roz s THR 5 Ca 0.29 1.34 -0.07 0.00 -1.21 0.00 0.00 61.69 62.04 2roz s THR 5 Cb -0.10 -3.63 -0.11 0.00 -1.51 0.00 0.00 72.50 67.15 2roz s THR 5 CO 0.21 -0.10 2.60 -0.81 -2.21 0.00 0.00 174.62 174.30 2roz n PRO 6 N -0.36 2.40 0.02 7.08 -0.04 -1.26 -3.03 135.00 139.81 2roz n PRO 6 Ca 0.06 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 2roz n PRO 6 Cb 0.51 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 3.53 0.00 -0.15 0.54 4.07 -1.26 -4.91 120.64 122.46 2roz n GLU 7 Ca 0.51 0.00 0.28 0.00 -0.06 0.00 0.00 57.16 57.89 2roz n GLU 7 Cb 0.33 0.00 0.72 0.00 -0.06 0.00 0.00 31.44 32.43 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 0.00 0.00 -0.16 5.31 4.57 -1.94 0.21 114.58 122.57 2roz h GLU 8 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2roz h GLU 8 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2roz h GLU 8 CO 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 179.01 177.86 2roz h ARG 9 N 0.00 0.27 -0.59 1.92 3.08 -1.91 1.38 114.38 118.52 2roz h ARG 9 Ca 0.40 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.40 2roz h ARG 9 Cb 1.68 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.67 2roz h ARG 9 CO -0.00 0.44 0.39 1.25 -1.07 0.00 0.00 179.97 180.98 2roz h HIS 10 N 0.05 0.70 0.13 3.04 2.76 -0.95 0.65 115.15 121.52 2roz h HIS 10 Ca 0.05 0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 58.02 2roz h HIS 10 Cb 0.30 -0.24 0.02 0.00 1.55 0.00 0.00 27.41 29.05 2roz h HIS 10 CO 0.02 0.42 -0.94 -0.07 -1.30 0.00 0.00 177.93 176.06 2roz h LEU 11 N 0.74 0.60 -0.95 0.26 3.38 -1.05 -2.82 115.31 115.48 2roz h LEU 11 Ca 0.23 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2roz h LEU 11 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2roz h LEU 11 CO -0.06 1.44 0.00 -1.20 0.09 0.00 0.00 178.44 178.71 2roz n SER 12 N -4.03 0.44 0.00 -0.43 7.64 0.47 -1.32 113.62 116.39 2roz n SER 12 Ca -0.14 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2roz n SER 12 Cb 0.86 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2roz n SER 12 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2roz n LYS 13 N -2.06 0.00 0.02 1.43 4.81 0.16 -4.13 118.16 118.38 2roz n LYS 13 Ca -0.00 0.32 0.22 0.00 -0.87 0.00 0.00 58.31 57.98 2roz n LYS 13 Cb 0.07 -0.82 0.60 0.00 0.02 0.00 0.00 35.03 34.90 2roz n LYS 13 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2roz h MET 14 N 0.00 0.00 -0.00 1.64 2.86 -1.41 1.60 114.93 119.62 2roz h MET 14 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2roz h MET 14 Cb 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 2roz h MET 14 CO 0.00 0.00 -0.42 1.96 1.06 0.00 0.00 176.91 179.51 2roz h GLN 15 N 0.00 -0.55 0.00 1.72 4.20 -1.36 -2.03 115.11 117.09 2roz h GLN 15 Ca 0.27 0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 2roz h GLN 15 Cb 1.75 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.64 2roz h GLN 15 CO -0.00 -0.37 -1.34 0.00 -0.67 0.00 0.00 178.83 176.45 2roz n GLN 16 N -5.45 0.20 0.27 1.46 0.00 -0.17 -4.57 117.38 109.13 2roz n GLN 16 Ca -0.06 0.03 0.17 0.00 0.00 0.00 0.00 57.00 57.14 2roz n GLN 16 Cb 0.37 -1.12 0.68 0.00 0.00 0.00 0.00 30.24 30.17 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 -0.17 2.61 2.35 0.21 -3.48 115.58 117.10 2roz h ASN 17 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2roz h ASN 17 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2roz h ASN 17 CO -0.02 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 2roz n GLY 18 N -0.01 -0.01 3.02 2.83 0.00 -0.71 -4.80 105.19 105.51 2roz n GLY 18 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.16 -0.22 1.61 5.04 -1.26 -4.35 117.35 118.01 2roz s TYR 19 Ca 0.00 0.40 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 2roz s TYR 19 Cb 0.00 0.05 0.04 0.00 0.35 0.00 0.00 41.96 42.40 2roz s TYR 19 CO 0.00 -0.08 -0.14 -2.00 -1.34 0.00 0.00 175.55 171.98 2roz s GLU 20 N 0.12 2.64 0.02 4.97 2.12 -1.26 -5.08 118.70 122.24 2roz s GLU 20 Ca -0.00 -1.08 -0.32 0.00 0.36 0.00 0.00 54.97 53.93 2roz s GLU 20 Cb -0.01 -2.76 -0.11 0.00 0.26 0.00 0.00 34.13 31.51 2roz s GLU 20 CO -0.00 -0.39 1.87 -1.71 -0.54 0.00 0.00 175.26 174.49 2roz n ASN 21 N 4.54 3.77 0.04 -1.70 2.85 -1.26 -4.87 115.26 118.63 2roz n ASN 21 Ca -0.17 0.96 -0.16 0.00 -0.11 0.00 0.00 54.58 55.10 2roz n ASN 21 Cb 0.46 -1.46 -0.06 0.00 1.24 0.00 0.00 39.78 39.96 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 9.17 0.60 -0.83 1.20 0.13 -2.07 -3.24 132.00 136.96 2roz h PRO 22 Ca -0.48 -0.58 0.20 0.00 -0.87 0.00 0.00 66.00 64.27 2roz h PRO 22 Cb 1.25 0.15 -0.12 0.00 0.13 0.00 0.00 31.00 32.41 2roz h PRO 22 CO 0.94 1.20 0.25 0.00 -0.23 0.00 0.00 178.00 180.16 2roz h THR 23 N 0.37 0.44 -0.70 1.56 1.03 -2.07 -3.41 112.91 110.13 2roz h THR 23 Ca -0.08 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.22 2roz h THR 23 Cb 1.54 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 2roz h THR 23 CO 0.17 0.05 0.00 0.00 -0.01 0.00 0.00 175.52 175.73 2roz n TYR 24 N -5.15 -1.56 -2.52 0.00 9.36 -1.22 -5.02 117.16 111.05 2roz n TYR 24 Ca 0.18 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.40 2roz n TYR 24 Cb 0.58 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.33 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 -1.40 0.44 -1.36 2.98 4.81 -1.26 -5.10 118.16 117.28 2roz n LYS 25 Ca 0.00 -0.41 0.16 0.00 -0.87 0.00 0.00 58.31 57.20 2roz n LYS 25 Cb 0.00 0.16 -0.07 0.00 0.02 0.00 0.00 35.03 35.14 2roz n LYS 25 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2roz n PHE 26 N -0.50 -3.41 -0.51 5.64 3.01 -1.26 -4.84 117.46 115.59 2roz n PHE 26 Ca -0.06 1.82 -0.18 0.00 1.01 0.00 0.00 57.45 60.03 2roz n PHE 26 Cb 0.62 -3.10 0.15 0.00 -0.01 0.00 0.00 39.48 37.15 2roz n PHE 26 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 2roz n PHE 27 N -4.11 -2.44 -2.66 1.38 -1.74 -1.26 -4.98 117.46 101.65 2roz n PHE 27 Ca -0.05 -0.05 -0.25 0.00 -0.56 0.00 0.00 57.45 56.54 2roz n PHE 27 Cb 0.65 -1.38 0.02 0.00 1.52 0.00 0.00 39.48 40.30 2roz n PHE 27 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 2roz s GLU 28 N -3.55 2.96 -0.41 3.97 2.56 -1.26 -5.08 118.70 117.89 2roz s GLU 28 Ca 0.37 -0.26 0.05 0.00 0.00 0.00 0.00 54.97 55.13 2roz s GLU 28 Cb -0.06 -2.41 0.18 0.00 2.00 0.00 0.00 34.13 33.84 2roz s GLU 28 CO 0.34 -0.52 0.72 -1.14 -0.56 0.00 0.00 175.26 174.10 2roz s GLN 29 N -4.79 0.76 -0.29 4.30 -0.44 -1.26 -5.04 119.66 112.90 2roz s GLN 29 Ca 0.52 -0.36 -0.10 0.00 -2.50 0.00 0.00 55.36 52.91 2roz s GLN 29 Cb -0.10 0.06 0.01 0.00 -1.64 0.00 0.00 33.01 31.34 2roz s GLN 29 CO 0.42 -1.06 0.25 -0.12 0.50 0.00 0.00 175.29 175.28 2roz n MET 30 N 4.02 -2.27 -2.08 1.67 0.00 -1.26 -4.82 117.12 112.39 2roz n MET 30 Ca 0.11 1.97 -0.42 0.00 0.00 0.00 0.00 57.70 59.36 2roz n MET 30 Cb 0.58 -3.97 -0.03 0.00 0.00 0.00 0.00 33.22 29.80 2roz n MET 30 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 2roz s GLN 31 N -1.87 4.11 0.00 2.12 -2.07 -1.26 -5.33 119.66 115.36 2roz s GLN 31 Ca 0.12 2.02 0.00 0.00 -1.82 0.00 0.00 55.36 55.69 2roz s GLN 31 Cb -0.02 -3.97 0.00 0.00 -1.09 0.00 0.00 33.01 27.93 2roz s GLN 31 CO 0.62 -0.92 0.00 0.27 -1.32 0.00 0.00 175.29 173.94