#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 1.47 -2.68 2.24 0.00 -1.26 -5.06 120.51 115.22 2roz n ALA 2 Ca 0.00 -2.98 -0.42 0.00 0.00 0.00 0.00 53.44 50.04 2roz n ALA 2 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.47 2.92 1.07 0.00 0.00 -1.26 -4.99 121.76 118.03 2roz s ALA 3 Ca 0.36 -2.18 -0.20 0.00 0.00 0.00 0.00 51.96 49.94 2roz s ALA 3 Cb 0.28 -4.29 0.05 0.00 0.00 0.00 0.00 23.12 19.17 2roz s ALA 3 CO -0.10 -3.31 -0.28 1.55 0.00 0.00 0.00 175.76 173.62 2roz n VAL 4 N 6.35 0.00 -4.12 0.00 3.14 -1.26 -5.03 118.33 117.42 2roz n VAL 4 Ca 0.21 -0.19 -0.10 0.00 -2.96 0.00 0.00 64.34 61.30 2roz n VAL 4 Cb 0.50 -0.45 -0.10 0.00 -1.06 0.00 0.00 33.84 32.72 2roz n VAL 4 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2roz s THR 5 N -2.15 0.52 0.19 1.55 -4.23 -1.26 -5.05 115.64 105.21 2roz s THR 5 Ca 0.48 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 2roz s THR 5 Cb -0.06 -1.34 -0.11 0.00 1.34 0.00 0.00 72.50 72.32 2roz s THR 5 CO 0.60 -0.78 1.44 1.55 -0.54 0.00 0.00 174.62 176.89 2roz h PRO 6 N 3.41 0.16 0.31 3.99 0.13 -1.99 -2.43 132.00 135.58 2roz h PRO 6 Ca -0.35 -0.16 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2roz h PRO 6 Cb 1.17 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2roz h PRO 6 CO 0.59 0.87 -0.15 1.49 -0.23 0.00 0.00 178.00 180.57 2roz h GLU 7 N 0.10 -0.40 0.26 0.86 4.81 -1.99 -2.63 114.58 115.58 2roz h GLU 7 Ca -0.03 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2roz h GLU 7 Cb 1.38 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.83 2roz h GLU 7 CO 0.12 -0.08 -0.32 1.49 -0.73 0.00 0.00 179.01 179.49 2roz h GLU 8 N -0.78 -0.61 -0.98 1.92 4.57 -1.99 -1.46 114.58 115.25 2roz h GLU 8 Ca -0.04 0.04 0.33 0.00 -1.18 0.00 0.00 59.36 58.50 2roz h GLU 8 Cb 0.51 0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 29.08 2roz h GLU 8 CO 0.07 -0.41 0.49 0.00 -1.18 0.00 0.00 179.01 177.99 2roz h ARG 9 N -0.63 0.23 -0.63 1.92 3.08 -1.50 1.74 114.38 118.59 2roz h ARG 9 Ca -0.00 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2roz h ARG 9 Cb 0.60 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2roz h ARG 9 CO -0.10 0.15 0.13 1.25 -1.07 0.00 0.00 179.97 180.33 2roz h HIS 10 N 0.23 1.08 0.29 3.04 2.76 -0.91 -1.60 115.15 120.04 2roz h HIS 10 Ca 0.73 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.74 2roz h HIS 10 Cb 1.68 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.35 2roz h HIS 10 CO -0.07 0.91 -0.14 -0.07 -1.30 0.00 0.00 177.93 177.26 2roz h LEU 11 N 0.94 -0.33 -0.99 0.26 3.38 0.27 -3.12 115.31 115.72 2roz h LEU 11 Ca 0.19 -0.09 0.23 0.00 0.09 0.00 0.00 57.88 58.30 2roz h LEU 11 Cb 0.39 0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.04 2roz h LEU 11 CO 0.01 0.15 -0.15 -1.20 0.09 0.00 0.00 178.44 177.34 2roz n SER 12 N -5.03 -0.27 -0.15 -0.43 7.64 0.48 0.17 113.62 116.03 2roz n SER 12 Ca -0.06 1.70 -0.03 0.00 1.01 0.00 0.00 58.87 61.49 2roz n SER 12 Cb 0.20 -0.55 0.05 0.00 -1.01 0.00 0.00 64.21 62.90 2roz n SER 12 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2roz h LYS 13 N 0.00 0.10 0.00 1.43 3.64 -1.35 0.70 116.57 121.09 2roz h LYS 13 Ca 0.52 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 2roz h LYS 13 Cb 0.92 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2roz h LYS 13 CO -0.99 0.07 0.00 -1.33 -2.27 0.00 0.00 179.45 174.93 2roz n MET 14 N -5.23 0.14 0.12 1.90 2.81 0.45 0.13 117.12 117.45 2roz n MET 14 Ca 0.05 0.34 0.12 0.00 -1.81 0.00 0.00 57.70 56.39 2roz n MET 14 Cb 0.26 -1.75 0.09 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.41 -3.40 115.11 116.35 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 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2roz h GLN 15 CO 0.00 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 2roz n GLN 16 N -2.65 0.00 -0.30 1.46 6.02 0.07 -4.92 117.38 117.06 2roz n GLN 16 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.95 2roz n GLN 16 Cb 0.52 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.74 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 0.00 -0.69 0.00 1.08 3.02 -0.73 -4.90 115.26 113.04 2roz n ASN 17 Ca 0.00 1.30 0.00 0.00 -0.03 0.00 0.00 54.58 55.85 2roz n ASN 17 Cb 0.00 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.23 -0.25 3.26 7.41 0.00 0.36 -4.99 105.19 109.75 2roz n GLY 18 Ca 0.03 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.22 2.13 -0.37 1.61 5.04 -1.26 -4.75 117.35 118.53 2roz s TYR 19 Ca 0.00 -0.45 0.01 0.00 -2.44 0.00 0.00 57.07 54.20 2roz s TYR 19 Cb 0.00 -1.38 0.12 0.00 0.35 0.00 0.00 41.96 41.05 2roz s TYR 19 CO 0.00 -0.07 0.16 -2.00 -1.34 0.00 0.00 175.55 172.30 2roz s GLU 20 N -0.47 1.08 -0.66 4.97 2.12 -1.26 -5.07 118.70 119.42 2roz s GLU 20 Ca 0.07 -1.61 -0.39 0.00 0.36 0.00 0.00 54.97 53.40 2roz s GLU 20 Cb -0.10 -2.31 -0.19 0.00 0.26 0.00 0.00 34.13 31.78 2roz s GLU 20 CO -0.00 -1.06 2.33 -1.71 -0.54 0.00 0.00 175.26 174.28 2roz n ASN 21 N 4.17 0.68 -4.25 -1.70 2.85 -1.26 -4.72 115.26 111.04 2roz n ASN 21 Ca 0.03 0.49 -0.38 0.00 -0.11 0.00 0.00 54.58 54.61 2roz n ASN 21 Cb 0.38 -0.93 -0.03 0.00 1.24 0.00 0.00 39.78 40.44 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 7.88 2.31 0.00 1.20 -0.04 -1.26 -3.07 135.00 142.01 2roz n PRO 22 Ca 0.58 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 2roz n PRO 22 Cb 0.00 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.04 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 6.54 0.00 -0.32 0.52 5.66 -1.26 -4.97 114.28 120.45 2roz n THR 23 Ca 0.48 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.60 2roz n THR 23 Cb 0.44 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.46 2roz n THR 23 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 2roz h TYR 24 N 0.00 -0.07 -4.26 1.09 3.20 -1.93 -3.47 116.97 111.52 2roz h TYR 24 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2roz h TYR 24 Cb 0.00 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2roz h TYR 24 CO 0.00 -0.37 -0.93 1.63 -1.64 0.00 0.00 178.16 176.85 2roz n LYS 25 N -5.45 -5.46 -3.15 1.82 5.02 -1.26 -5.07 118.16 104.61 2roz n LYS 25 Ca 0.20 3.88 0.05 0.00 -2.02 0.00 0.00 58.31 60.42 2roz n LYS 25 Cb 0.66 -4.17 -0.00 0.00 -0.02 0.00 0.00 35.03 31.50 2roz n LYS 25 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2roz s PHE 26 N -0.50 -0.75 0.31 2.13 2.19 -1.26 -5.17 117.98 114.92 2roz s PHE 26 Ca 0.00 0.49 0.08 0.00 0.33 0.00 0.00 56.93 57.83 2roz s PHE 26 Cb 0.00 0.15 -0.03 0.00 -1.31 0.00 0.00 43.02 41.83 2roz s PHE 26 CO 0.00 -0.43 0.22 0.12 1.83 0.00 0.00 175.22 176.96 2roz s PHE 27 N 2.93 2.92 0.85 10.12 5.36 -1.26 -5.09 117.98 133.81 2roz s PHE 27 Ca 0.20 -0.25 -0.15 0.00 -0.96 0.00 0.00 56.93 55.77 2roz s PHE 27 Cb -0.05 -1.62 -0.05 0.00 -0.34 0.00 0.00 43.02 40.96 2roz s PHE 27 CO -0.22 0.33 0.10 -1.91 -1.46 0.00 0.00 175.22 172.07 2roz n GLU 28 N -1.25 0.00 -3.52 10.12 4.07 -1.26 -5.01 120.64 123.79 2roz n GLU 28 Ca -0.04 0.03 0.02 0.00 -0.06 0.00 0.00 57.16 57.11 2roz n GLU 28 Cb 0.59 -1.56 -0.05 0.00 -0.06 0.00 0.00 31.44 30.36 2roz n GLU 28 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2roz s GLN 29 N -2.71 0.14 0.65 5.31 0.74 -1.26 -5.17 119.66 117.37 2roz s GLN 29 Ca 0.56 0.28 -0.12 0.00 0.05 0.00 0.00 55.36 56.13 2roz s GLN 29 Cb -0.28 0.08 -0.01 0.00 1.10 0.00 0.00 33.01 33.90 2roz s GLN 29 CO 0.68 -0.04 1.05 1.41 -0.55 0.00 0.00 175.29 177.84 2roz s MET 30 N 1.48 3.22 0.05 1.67 -2.45 -1.26 -5.08 119.30 116.94 2roz s MET 30 Ca -0.06 0.92 0.05 0.00 -1.25 0.00 0.00 55.69 55.36 2roz s MET 30 Cb -0.03 -2.03 -0.02 0.00 1.25 0.00 0.00 34.83 34.00 2roz s MET 30 CO -0.13 -0.88 -0.15 -0.65 1.05 0.00 0.00 175.02 174.26 2roz s GLN 31 N -4.93 0.94 0.00 4.11 1.11 -1.26 -5.31 119.66 114.32 2roz s GLN 31 Ca 0.58 -0.86 0.00 0.00 0.01 0.00 0.00 55.36 55.09 2roz s GLN 31 Cb -0.13 -0.97 0.00 0.00 -1.01 0.00 0.00 33.01 30.90 2roz s GLN 31 CO 0.51 0.23 0.08 -1.71 0.01 0.00 0.00 175.29 174.41