#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 3.53 -0.56 2.24 0.00 -1.26 -4.44 121.76 121.27 2roz s ALA 2 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 2roz s ALA 2 Cb 0.00 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.55 2roz s ALA 2 CO 0.00 0.42 0.65 0.00 0.00 0.00 0.00 175.76 176.82 2roz n ALA 3 N 0.79 -2.48 -1.66 0.00 0.00 -1.26 -4.87 120.51 111.03 2roz n ALA 3 Ca -0.04 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 2roz n ALA 3 Cb 0.52 -1.91 0.02 0.00 0.00 0.00 0.00 19.45 18.07 2roz n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2roz s VAL 4 N -1.98 3.33 0.20 0.00 1.01 -1.26 -4.95 120.40 116.74 2roz s VAL 4 Ca 0.27 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.65 2roz s VAL 4 Cb -0.03 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 2roz s VAL 4 CO 0.87 -0.29 1.55 -0.89 0.00 0.00 0.00 175.10 176.35 2roz s THR 5 N -2.10 2.55 -0.99 3.92 2.01 -1.26 -4.87 115.64 114.90 2roz s THR 5 Ca 0.69 0.41 0.22 0.00 0.31 0.00 0.00 61.69 63.32 2roz s THR 5 Cb -0.21 -3.26 0.18 0.00 0.01 0.00 0.00 72.50 69.22 2roz s THR 5 CO 0.33 0.04 1.70 -0.81 -0.69 0.00 0.00 174.62 175.20 2roz n PRO 6 N 3.48 0.01 -0.12 4.92 -0.04 -1.26 -2.71 135.00 139.28 2roz n PRO 6 Ca 0.12 0.13 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 2roz n PRO 6 Cb 0.39 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.52 0.65 -0.27 0.54 4.07 -1.26 -4.26 120.64 118.59 2roz n GLU 7 Ca 0.05 0.19 0.03 0.00 -0.06 0.00 0.00 57.16 57.37 2roz n GLU 7 Cb 0.26 -1.54 0.25 0.00 -0.06 0.00 0.00 31.44 30.34 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 -0.15 0.98 0.00 5.31 4.57 -1.94 0.41 114.58 123.76 2roz h GLU 8 Ca -0.58 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.54 2roz h GLU 8 Cb 1.86 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 30.23 2roz h GLU 8 CO -0.12 0.65 -0.01 0.00 -1.18 0.00 0.00 179.01 178.35 2roz h ARG 9 N 1.01 0.00 0.00 1.92 3.08 -1.71 0.36 114.38 119.05 2roz h ARG 9 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2roz h ARG 9 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2roz h ARG 9 CO -0.11 0.01 0.00 1.58 -1.07 0.00 0.00 179.97 180.38 2roz n HIS 10 N -4.35 0.00 -0.11 3.04 -0.00 0.13 -2.69 115.22 111.24 2roz n HIS 10 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.52 2roz n HIS 10 Cb 0.09 -0.27 -0.10 0.00 -0.00 0.00 0.00 29.99 29.71 2roz n HIS 10 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2roz n LEU 11 N -1.27 2.76 0.24 0.27 4.77 0.12 -4.11 117.00 119.78 2roz n LEU 11 Ca 0.09 -0.05 0.16 0.00 -0.03 0.00 0.00 56.01 56.18 2roz n LEU 11 Cb 0.14 -0.75 0.69 0.00 -2.33 0.00 0.00 43.42 41.17 2roz n LEU 11 CO 0.14 0.80 1.13 0.28 -1.33 0.00 0.00 177.39 178.42 2roz h SER 12 N -0.14 0.00 0.76 -1.43 0.02 -1.15 1.77 113.55 113.38 2roz h SER 12 Ca -0.50 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.23 2roz h SER 12 Cb 1.71 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.22 2roz h SER 12 CO -0.12 0.00 -1.36 0.07 -1.14 0.00 0.00 176.83 174.28 2roz h LYS 13 N 0.00 0.00 0.00 3.45 5.09 -1.74 -3.29 116.57 120.08 2roz h LYS 13 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.82 2roz h LYS 13 Cb 1.04 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.37 2roz h LYS 13 CO -0.00 0.50 -0.04 0.52 -2.09 0.00 0.00 179.45 178.34 2roz h MET 14 N 0.00 0.00 0.00 0.07 2.86 0.24 -1.98 114.93 116.12 2roz h MET 14 Ca -0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2roz h MET 14 Cb 1.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.42 2roz h MET 14 CO 0.07 0.00 0.00 1.96 1.06 0.00 0.00 176.91 180.00 2roz h GLN 15 N 0.00 0.00 0.00 1.72 4.20 -0.97 -3.26 115.11 116.80 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 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 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 -2.95 0.00 -0.69 1.46 3.00 -1.17 -4.79 117.38 112.25 2roz n GLN 16 Ca 0.03 0.00 0.53 0.00 -0.01 0.00 0.00 57.00 57.55 2roz n GLN 16 Cb 0.43 0.00 0.82 0.00 0.00 0.00 0.00 30.24 31.49 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 1.08 2.35 -1.78 -3.44 115.58 113.79 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 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2roz n GLY 18 N -1.92 2.08 3.41 2.83 0.00 -0.77 -4.78 105.19 106.05 2roz n GLY 18 Ca 0.44 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.79 -0.51 1.61 5.04 -1.26 -4.66 117.35 116.78 2roz s TYR 19 Ca 0.00 1.62 -0.01 0.00 -2.44 0.00 0.00 57.07 56.24 2roz s TYR 19 Cb 0.00 0.41 0.13 0.00 0.35 0.00 0.00 41.96 42.86 2roz s TYR 19 CO 0.00 -0.42 0.30 -1.21 -1.34 0.00 0.00 175.55 172.88 2roz s GLU 20 N 1.55 2.20 -0.20 4.97 2.02 -1.26 -5.06 118.70 122.92 2roz s GLU 20 Ca -0.09 -2.24 -0.29 0.00 0.02 0.00 0.00 54.97 52.37 2roz s GLU 20 Cb -0.07 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 2roz s GLU 20 CO -0.16 -1.11 2.02 1.21 0.02 0.00 0.00 175.26 177.24 2roz s ASN 21 N 0.98 5.81 1.04 -0.19 2.47 -1.26 -4.96 114.94 118.83 2roz s ASN 21 Ca 0.13 1.86 -0.06 0.00 0.42 0.00 0.00 52.86 55.21 2roz s ASN 21 Cb -0.22 -2.52 0.08 0.00 -1.45 0.00 0.00 41.25 37.15 2roz s ASN 21 CO -0.04 -1.68 0.39 -0.81 -3.72 0.00 0.00 177.10 171.24 2roz n PRO 22 N 8.37 -1.04 0.00 0.43 -0.04 -1.26 -4.20 135.00 137.25 2roz n PRO 22 Ca 0.25 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 2roz n PRO 22 Cb 0.45 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 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 -2.92 0.00 0.00 0.52 5.66 -1.26 -4.81 114.28 111.47 2roz n THR 23 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2roz n THR 23 Cb 0.19 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 0.00 0.00 0.00 1.09 9.36 -1.26 -5.03 117.16 121.32 2roz n TYR 24 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2roz n TYR 24 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2roz n TYR 24 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2roz n LYS 25 N -0.39 0.00 -2.04 2.98 2.85 -1.26 -5.15 118.16 115.15 2roz n LYS 25 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2roz n LYS 25 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2roz n LYS 25 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2roz n PHE 26 N -0.06 -5.10 -4.32 5.58 -0.00 -1.26 -5.03 117.46 107.27 2roz n PHE 26 Ca 0.00 2.87 -0.25 0.00 -0.00 0.00 0.00 57.45 60.07 2roz n PHE 26 Cb 0.00 -3.77 -0.08 0.00 -0.00 0.00 0.00 39.48 35.63 2roz n PHE 26 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 2roz s PHE 27 N -1.28 2.56 -0.50 -5.13 0.08 -1.26 -5.01 117.98 107.44 2roz s PHE 27 Ca 0.00 -0.49 -0.35 0.00 0.12 0.00 0.00 56.93 56.21 2roz s PHE 27 Cb 0.00 -1.63 -0.14 0.00 -0.57 0.00 0.00 43.02 40.68 2roz s PHE 27 CO 0.00 0.41 2.30 0.39 -0.10 0.00 0.00 175.22 178.21 2roz n GLU 28 N -1.02 0.70 -3.67 0.44 4.71 -1.26 -4.83 120.64 115.70 2roz n GLU 28 Ca -0.04 0.15 -0.05 0.00 -0.01 0.00 0.00 57.16 57.21 2roz n GLU 28 Cb 0.63 -2.25 -0.02 0.00 -1.01 0.00 0.00 31.44 28.80 2roz n GLU 28 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 2roz s GLN 29 N 6.92 1.12 -0.10 3.49 -0.44 -1.26 -5.18 119.66 124.21 2roz s GLN 29 Ca 1.15 -0.56 -0.14 0.00 -2.50 0.00 0.00 55.36 53.30 2roz s GLN 29 Cb -0.95 0.42 0.03 0.00 -1.64 0.00 0.00 33.01 30.87 2roz s GLN 29 CO 0.49 -0.51 0.37 -1.64 0.50 0.00 0.00 175.29 174.50 2roz s MET 30 N -3.29 0.53 -0.10 1.67 -1.94 -1.26 -5.16 119.30 109.75 2roz s MET 30 Ca 0.10 0.30 0.03 0.00 -1.71 0.00 0.00 55.69 54.41 2roz s MET 30 Cb -0.01 0.25 -0.01 0.00 2.01 0.00 0.00 34.83 37.07 2roz s MET 30 CO -0.02 -0.10 -0.21 1.14 -0.01 0.00 0.00 175.02 175.83 2roz s GLN 31 N -0.31 3.08 0.00 2.03 1.03 -1.26 -5.29 119.66 118.94 2roz s GLN 31 Ca -0.04 -0.82 0.00 0.00 0.04 0.00 0.00 55.36 54.54 2roz s GLN 31 Cb -0.03 -2.39 0.00 0.00 0.03 0.00 0.00 33.01 30.62 2roz s GLN 31 CO 0.02 0.23 0.00 0.27 -2.54 0.00 0.00 175.29 173.27