#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ro3 n GLU 3 N -4.60 0.43 0.00 0.00 0.00 -1.26 -4.49 120.64 110.72 1ro3 n GLU 3 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 57.16 55.97 1ro3 n GLU 3 Cb 0.16 -0.81 0.00 0.00 0.00 0.00 0.00 31.44 30.79 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ro3 n SER 4 N 1.73 0.00 -4.14 4.31 2.88 -1.24 -5.15 113.62 112.01 1ro3 n SER 4 Ca 0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 1ro3 n SER 4 Cb 0.66 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.02 1ro3 n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ro3 s GLY 5 N -0.51 0.82 1.06 0.46 0.00 -1.26 -4.57 107.32 103.32 1ro3 s GLY 5 Ca 0.00 -1.39 -0.17 0.00 0.00 0.00 0.00 44.72 43.16 1ro3 s GLY 5 CO 0.00 -1.36 1.21 2.56 0.00 0.00 0.00 173.10 175.51 1ro3 s PRO 6 N -3.99 -0.12 0.00 2.90 0.04 -1.26 0.30 135.00 132.87 1ro3 s PRO 6 Ca 0.18 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1ro3 s PRO 6 Cb 0.07 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1ro3 s PRO 6 CO -0.02 -2.96 0.00 0.00 0.04 0.00 0.00 177.00 174.06 1ro3 n ARG 9 N -0.36 1.88 0.00 0.00 3.00 -1.26 -4.04 116.66 115.88 1ro3 n ARG 9 Ca 0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 57.85 56.47 1ro3 n ARG 9 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 30.99 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1ro3 n ASN 10 N 0.64 0.00 0.00 0.55 0.23 -1.26 -4.82 115.26 110.60 1ro3 n ASN 10 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 1ro3 n ASN 10 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ro3 n LYS 12 N 0.00 0.00 -0.93 0.00 3.00 -1.26 -4.89 118.16 114.07 1ro3 n LYS 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ro3 n LYS 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ro3 n LYS 12 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ro3 n PHE 13 N 0.00 -2.07 0.00 5.64 7.35 -1.23 -4.93 117.46 122.22 1ro3 n PHE 13 Ca 0.00 1.14 0.00 0.00 -0.76 0.00 0.00 57.45 57.83 1ro3 n PHE 13 Cb 0.00 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.29 1ro3 n PHE 13 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1ro3 n LEU 14 N 0.27 1.79 -3.15 -2.13 -0.00 -1.26 -4.87 117.00 107.65 1ro3 n LEU 14 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.06 1ro3 n LEU 14 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1ro3 n LEU 14 CO 0.00 0.00 0.58 -1.59 -0.00 0.00 0.00 177.39 176.38 1ro3 s LYS 15 N 0.00 0.15 0.00 1.96 -2.85 -1.26 -5.05 119.74 112.70 1ro3 s LYS 15 Ca 0.00 0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.20 1ro3 s LYS 15 Cb 0.00 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 1ro3 s LYS 15 CO 0.00 -0.22 0.00 0.39 0.10 0.00 0.00 175.35 175.62 1ro3 n GLU 16 N 5.34 0.00 0.00 1.78 1.02 -1.26 -3.09 120.64 124.43 1ro3 n GLU 16 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ro3 n GLU 16 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1ro3 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ro3 n GLY 17 N 0.00 -0.73 0.00 0.62 0.00 -1.26 -5.04 105.19 98.78 1ro3 n GLY 17 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1ro3 n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ro3 n THR 18 N 0.00 0.00 -3.15 2.61 -2.24 -1.18 -4.14 114.28 106.19 1ro3 n THR 18 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1ro3 n THR 18 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ro3 n THR 18 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1ro3 s ILE 19 N 0.00 -0.10 0.00 2.28 2.07 -0.98 -4.32 121.20 120.14 1ro3 s ILE 19 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1ro3 s ILE 19 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 42.46 42.49 1ro3 s ILE 19 CO 0.00 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.03 1ro3 s LYS 21 N -0.11 0.75 -0.87 0.00 1.02 0.29 -3.75 119.74 117.07 1ro3 s LYS 21 Ca 0.00 -0.34 -0.08 0.00 0.02 0.00 0.00 55.97 55.57 1ro3 s LYS 21 Cb 0.00 -0.09 -0.30 0.00 -0.52 0.00 0.00 37.83 36.92 1ro3 s LYS 21 CO 0.00 -1.18 1.90 -2.13 -0.92 0.00 0.00 175.35 173.02 1ro3 n ARG 22 N 4.46 0.00 0.10 1.68 3.00 -1.24 -4.13 116.66 120.53 1ro3 n ARG 22 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.91 1ro3 n ARG 22 Cb 0.54 -0.90 0.05 0.00 0.00 0.00 0.00 32.46 32.15 1ro3 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ro3 h ALA 23 N 9.80 0.70 -0.75 5.13 0.00 -1.82 8.51 119.26 140.83 1ro3 h ALA 23 Ca 0.03 -0.70 0.09 0.00 0.00 0.00 0.00 54.91 54.34 1ro3 h ALA 23 Cb 1.01 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 1ro3 h ALA 23 CO 1.44 0.95 -0.37 -2.13 0.00 0.00 0.00 179.25 179.15 1ro3 n ARG 24 N -3.63 -0.25 0.00 0.00 0.63 -1.26 -4.20 116.66 107.95 1ro3 n ARG 24 Ca -0.01 1.15 0.00 0.00 -0.92 0.00 0.00 57.85 58.07 1ro3 n ARG 24 Cb 0.75 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1ro3 n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ro3 n GLY 25 N -1.28 0.00 3.26 5.14 0.00 -1.24 -4.79 105.19 106.27 1ro3 n GLY 25 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1ro3 n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ro3 s ASP 26 N -2.65 -0.80 0.49 1.61 1.01 -0.06 -5.11 116.67 111.16 1ro3 s ASP 26 Ca 0.00 0.69 -0.17 0.00 0.71 0.00 0.00 52.55 53.78 1ro3 s ASP 26 Cb 0.00 1.75 -0.14 0.00 1.01 0.00 0.00 42.92 45.54 1ro3 s ASP 26 CO 0.00 -0.15 -0.15 -0.90 0.21 0.00 0.00 175.17 174.18 1ro3 n ASP 27 N 5.33 -3.52 -0.01 0.27 5.75 2.70 -4.07 116.55 122.99 1ro3 n ASP 27 Ca -0.06 0.59 -0.01 0.00 -0.01 0.00 0.00 54.79 55.29 1ro3 n ASP 27 Cb 0.52 -0.78 -0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1ro3 n ASP 27 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ro3 n MET 28 N 1.45 0.07 0.00 0.11 2.81 -1.25 -4.24 117.12 116.07 1ro3 n MET 28 Ca 0.07 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1ro3 n MET 28 Cb 0.44 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.46 1ro3 n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ro3 n ASP 29 N -2.85 0.39 -3.59 7.83 8.00 0.17 -4.87 116.55 121.63 1ro3 n ASP 29 Ca -0.02 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.27 1ro3 n ASP 29 Cb 0.07 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 1ro3 n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ro3 s ASP 30 N 1.98 1.60 -0.29 -2.24 -0.00 -1.22 0.62 116.67 117.12 1ro3 s ASP 30 Ca 0.00 -0.23 -0.11 0.00 -0.00 0.00 0.00 52.55 52.22 1ro3 s ASP 30 Cb 0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 42.92 42.95 1ro3 s ASP 30 CO 0.00 -0.31 0.18 -0.72 -0.00 0.00 0.00 175.17 174.32 1ro3 s TYR 31 N 2.23 3.20 -0.63 4.23 -0.85 -1.26 -3.59 117.35 120.67 1ro3 s TYR 31 Ca 0.04 -0.13 -0.38 0.00 -0.52 0.00 0.00 57.07 56.07 1ro3 s TYR 31 Cb -0.15 -2.38 -0.19 0.00 0.38 0.00 0.00 41.96 39.63 1ro3 s TYR 31 CO -0.09 -0.28 2.33 0.00 -1.52 0.00 0.00 175.55 175.99 1ro3 n ASN 33 N 9.01 4.16 -0.52 0.00 0.23 -1.25 -4.61 115.26 122.28 1ro3 n ASN 33 Ca 0.56 -3.08 -0.07 0.00 -0.53 0.00 0.00 54.58 51.46 1ro3 n ASN 33 Cb 0.04 -0.73 -0.03 0.00 -2.08 0.00 0.00 39.78 36.98 1ro3 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ro3 n GLY 34 N -0.27 0.76 1.00 4.83 0.00 -1.26 -4.72 105.19 105.52 1ro3 n GLY 34 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1ro3 n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ro3 n LYS 35 N -1.12 0.00 -3.60 1.61 4.81 -1.26 -4.90 118.16 113.70 1ro3 n LYS 35 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.34 1ro3 n LYS 35 Cb 0.43 -0.49 -0.02 0.00 0.02 0.00 0.00 35.03 34.97 1ro3 n LYS 35 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1ro3 s THR 36 N -1.98 0.00 -0.98 3.15 -1.32 -1.26 -4.46 115.64 108.78 1ro3 s THR 36 Ca 0.00 -0.05 -0.02 0.00 -1.21 0.00 0.00 61.69 60.41 1ro3 s THR 36 Cb 0.00 -1.19 0.31 0.00 -1.51 0.00 0.00 72.50 70.11 1ro3 s THR 36 CO 0.00 0.00 1.94 0.00 -2.21 0.00 0.00 174.62 174.35 1ro3 s ASP 38 N -1.14 0.26 -1.61 0.00 1.01 -1.26 -4.01 116.67 109.93 1ro3 s ASP 38 Ca 0.44 0.33 -0.10 0.00 0.71 0.00 0.00 52.55 53.93 1ro3 s ASP 38 Cb 0.27 1.07 0.09 0.00 1.01 0.00 0.00 42.92 45.35 1ro3 s ASP 38 CO -0.22 -0.29 0.46 0.00 0.21 0.00 0.00 175.17 175.34 1ro3 h PRO 40 N -1.58 0.02 -5.72 0.00 0.13 -1.80 -2.48 132.00 120.58 1ro3 h PRO 40 Ca -0.62 -0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 63.83 1ro3 h PRO 40 Cb 1.39 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.41 1ro3 h PRO 40 CO 0.74 0.76 -0.54 0.50 -0.23 0.00 0.00 178.00 179.22 1ro3 s ARG 41 N -3.22 3.35 0.00 0.86 6.06 -1.26 0.14 118.95 124.88 1ro3 s ARG 41 Ca -0.17 -0.26 0.00 0.00 -2.50 0.00 0.00 55.73 52.79 1ro3 s ARG 41 Cb -0.01 -3.05 0.00 0.00 0.06 0.00 0.00 34.95 31.96 1ro3 s ARG 41 CO 0.69 0.68 0.00 0.27 -2.50 0.00 0.00 175.30 174.44 1ro3 n ASN 42 N 2.27 0.00 -1.68 -2.12 2.04 -1.26 2.12 115.26 116.63 1ro3 n ASN 42 Ca -0.19 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 53.94 1ro3 n ASN 42 Cb 0.54 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.78 1ro3 n ASN 42 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1ro3 n PRO 43 N 0.00 0.83 0.00 -0.53 -0.04 -1.26 -1.75 135.00 132.25 1ro3 n PRO 43 Ca 0.00 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ro3 n PRO 43 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1ro3 n PRO 43 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ro3 n HIS 44 N 1.74 0.00 0.00 0.54 -0.00 -1.26 -4.93 115.22 111.31 1ro3 n HIS 44 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1ro3 n HIS 44 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 1ro3 n HIS 44 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1ro3 n LYS 45 N 0.00 0.00 -0.76 -0.41 4.76 -1.26 -4.20 118.16 116.29 1ro3 n LYS 45 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1ro3 n LYS 45 Cb 0.00 -0.22 0.06 0.00 -1.84 0.00 0.00 35.03 33.03 1ro3 n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ro3 n GLY 46 N 0.00 2.01 0.00 0.72 0.00 -1.26 -4.99 105.19 101.67 1ro3 n GLY 46 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1ro3 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ro3 n PRO 47 N -0.23 0.77 -0.06 1.61 -0.04 -1.15 -5.03 135.00 130.86 1ro3 n PRO 47 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1ro3 n PRO 47 Cb 0.83 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.29 1ro3 n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ro3 n ALA 48 N -3.00 -0.46 -0.78 0.55 0.00 -0.72 -4.64 120.51 111.46 1ro3 n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ro3 n ALA 48 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91