#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 -1.63 0.00 -2.66 0.00 0.28 -1.26 -4.93 120.64 110.45 1ro3 n GLU 3 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1ro3 n GLU 3 Cb 0.00 0.00 0.04 0.00 1.43 0.00 0.00 31.44 32.91 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1ro3 n SER 4 N 0.00 -1.09 -0.10 -1.84 2.88 -1.26 -5.15 113.62 107.05 1ro3 n SER 4 Ca 0.00 -1.63 0.01 0.00 -1.33 0.00 0.00 58.87 55.93 1ro3 n SER 4 Cb 0.00 1.04 -0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1ro3 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ro3 n GLY 5 N -0.01 -1.65 3.77 0.46 0.00 -1.26 -4.96 105.19 101.54 1ro3 n GLY 5 Ca -0.18 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1ro3 n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ro3 s PRO 6 N -1.58 0.21 0.00 1.61 0.04 -1.19 -4.49 135.00 129.60 1ro3 s PRO 6 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1ro3 s PRO 6 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1ro3 s PRO 6 CO 0.00 -2.76 0.00 0.00 0.04 0.00 0.00 177.00 174.28 1ro3 n ARG 9 N 0.33 0.00 -3.15 0.00 0.00 -1.24 0.32 116.66 112.93 1ro3 n ARG 9 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.70 1ro3 n ARG 9 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.46 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 0.00 -1.62 -3.62 6.15 6.94 -1.05 0.90 115.26 122.95 1ro3 n ASN 10 Ca 0.00 -0.37 -0.22 0.00 -0.02 0.00 0.00 54.58 53.97 1ro3 n ASN 10 Cb 0.00 -0.56 0.01 0.00 -2.36 0.00 0.00 39.78 36.87 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ro3 n LYS 12 N -2.87 0.00 -1.00 0.00 4.81 0.96 -4.93 118.16 115.13 1ro3 n LYS 12 Ca -0.19 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.89 1ro3 n LYS 12 Cb 0.62 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.64 1ro3 n LYS 12 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ro3 n PHE 13 N 0.00 -0.08 -0.08 5.64 7.35 -1.12 -3.67 117.46 125.51 1ro3 n PHE 13 Ca 0.00 0.70 -0.11 0.00 -0.76 0.00 0.00 57.45 57.28 1ro3 n PHE 13 Cb 0.00 -1.40 -0.04 0.00 0.35 0.00 0.00 39.48 38.39 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 1.28 1.79 0.00 -2.13 -0.00 -1.26 -4.68 117.00 112.00 1ro3 n LEU 14 Ca 0.13 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 1ro3 n LEU 14 Cb 0.14 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 42.87 1ro3 n LEU 14 CO 0.40 -0.19 0.00 1.17 -0.00 0.00 0.00 177.39 178.77 1ro3 n LYS 15 N -4.27 0.00 0.00 1.96 4.81 -1.26 -5.08 118.16 114.31 1ro3 n LYS 15 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1ro3 n LYS 15 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1ro3 n LYS 15 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ro3 n GLU 16 N 0.00 0.00 0.00 1.64 1.02 -1.26 -3.68 120.64 118.36 1ro3 n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ro3 n GLU 16 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 1.50 0.04 0.62 0.00 -1.26 -4.99 105.19 101.10 1ro3 n GLY 17 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1ro3 n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ro3 n THR 18 N -0.35 0.74 -0.69 2.61 -1.04 -1.24 -4.83 114.28 109.46 1ro3 n THR 18 Ca 0.00 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1ro3 n THR 18 Cb 0.00 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1ro3 n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ro3 n ILE 19 N -1.72 0.00 0.00 12.58 3.06 -1.21 0.29 119.36 132.36 1ro3 n ILE 19 Ca 0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 1ro3 n ILE 19 Cb 0.24 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.42 1ro3 n ILE 19 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ro3 s LYS 21 N 0.00 1.11 0.00 0.00 1.02 -1.26 -2.76 119.74 117.85 1ro3 s LYS 21 Ca 0.00 -0.56 -0.10 0.00 0.02 0.00 0.00 55.97 55.33 1ro3 s LYS 21 Cb 0.00 -2.14 -0.12 0.00 -0.52 0.00 0.00 37.83 35.05 1ro3 s LYS 21 CO 0.00 -0.55 0.99 -2.13 -0.92 0.00 0.00 175.35 172.74 1ro3 n ARG 22 N 4.91 0.00 -0.31 1.68 3.00 0.29 -4.45 116.66 121.78 1ro3 n ARG 22 Ca -0.10 -0.54 -0.12 0.00 -0.00 0.00 0.00 57.85 57.09 1ro3 n ARG 22 Cb 0.47 -1.91 -0.10 0.00 0.00 0.00 0.00 32.46 30.92 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 8.11 -0.63 -0.83 5.13 0.00 0.11 29.80 119.26 160.96 1ro3 h ALA 23 Ca 0.08 0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.33 1ro3 h ALA 23 Cb 0.28 1.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 1ro3 h ALA 23 CO 1.14 -1.00 0.56 0.54 0.00 0.00 0.00 179.25 180.49 1ro3 n ARG 24 N -5.30 -0.01 0.00 0.00 1.74 -1.26 -2.48 116.66 109.34 1ro3 n ARG 24 Ca -0.00 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1ro3 n ARG 24 Cb 0.29 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1ro3 n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ro3 n GLY 25 N -1.34 0.00 0.00 -0.13 0.00 0.28 -4.85 105.19 99.14 1ro3 n GLY 25 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ro3 n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ro3 n ASP 26 N -1.81 0.00 -3.61 1.61 4.64 8.86 -5.02 116.55 121.22 1ro3 n ASP 26 Ca 0.00 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.27 1ro3 n ASP 26 Cb 0.09 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.10 1ro3 n ASP 26 CO 0.00 0.00 0.00 1.51 -0.82 0.00 0.00 177.20 177.89 1ro3 s ASP 27 N 2.00 -0.70 0.00 1.67 1.47 -1.18 0.15 116.67 120.08 1ro3 s ASP 27 Ca 0.00 1.24 0.00 0.00 1.18 0.00 0.00 52.55 54.97 1ro3 s ASP 27 Cb 0.00 1.22 0.00 0.00 -0.34 0.00 0.00 42.92 43.80 1ro3 s ASP 27 CO 0.00 -0.31 0.00 0.23 0.68 0.00 0.00 175.17 175.77 1ro3 n MET 28 N 2.28 0.00 0.00 2.11 2.81 -1.22 -4.30 117.12 118.80 1ro3 n MET 28 Ca -0.15 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1ro3 n MET 28 Cb 0.55 -0.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.82 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 -1.58 0.00 -3.17 7.83 8.00 0.85 -4.98 116.55 123.50 1ro3 n ASP 29 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1ro3 n ASP 29 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1ro3 n ASP 29 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1ro3 s ASP 30 N 1.55 -0.64 0.14 -2.24 1.47 0.46 -3.33 116.67 114.09 1ro3 s ASP 30 Ca 0.00 0.44 0.07 0.00 1.18 0.00 0.00 52.55 54.24 1ro3 s ASP 30 Cb 0.00 1.55 -0.04 0.00 -0.34 0.00 0.00 42.92 44.09 1ro3 s ASP 30 CO 0.00 -0.12 -0.04 -0.72 0.68 0.00 0.00 175.17 174.97 1ro3 s TYR 31 N 2.88 2.82 0.00 2.11 1.13 -1.26 -3.92 117.35 121.11 1ro3 s TYR 31 Ca 0.03 -0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.56 1ro3 s TYR 31 Cb -0.11 -1.41 0.00 0.00 -1.10 0.00 0.00 41.96 39.35 1ro3 s TYR 31 CO -0.13 0.49 0.00 0.00 -2.51 0.00 0.00 175.55 173.39 1ro3 n ASN 33 N 0.00 0.00 0.00 0.00 5.15 -1.26 -3.98 115.26 115.17 1ro3 n ASN 33 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ro3 n ASN 33 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ro3 n ASN 33 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ro3 n GLY 34 N -0.53 1.77 0.00 8.20 0.00 -1.26 -5.05 105.19 108.32 1ro3 n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.45 0.00 0.00 1.61 3.00 -1.26 -4.85 118.16 116.22 1ro3 n LYS 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ro3 n LYS 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ro3 n LYS 35 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ro3 n THR 36 N -1.09 0.00 -0.57 3.15 -2.24 -1.26 -4.03 114.28 108.24 1ro3 n THR 36 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ro3 n THR 36 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ro3 n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ro3 n ASP 38 N 0.54 5.42 0.00 0.00 2.03 -1.26 -2.12 116.55 121.16 1ro3 n ASP 38 Ca 0.00 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.61 1ro3 n ASP 38 Cb 0.14 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ro3 n PRO 40 N -1.84 2.60 -2.44 0.00 -0.04 -1.03 -1.16 135.00 131.09 1ro3 n PRO 40 Ca 0.00 -1.90 -0.03 0.00 -0.04 0.00 0.00 63.50 61.53 1ro3 n PRO 40 Cb 0.22 -2.75 -0.02 0.00 -0.04 0.00 0.00 33.50 30.92 1ro3 n PRO 40 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ro3 n ARG 41 N 4.71 0.12 -2.69 0.54 0.63 -1.26 -4.12 116.66 114.58 1ro3 n ARG 41 Ca 0.57 -0.52 -0.27 0.00 -0.92 0.00 0.00 57.85 56.71 1ro3 n ARG 41 Cb 0.24 0.01 -0.02 0.00 0.45 0.00 0.00 32.46 33.14 1ro3 n ARG 41 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ro3 n ASN 42 N -0.43 4.52 -2.20 6.15 2.04 -1.23 -1.14 115.26 122.96 1ro3 n ASN 42 Ca -0.24 -3.68 -0.10 0.00 -0.44 0.00 0.00 54.58 50.12 1ro3 n ASN 42 Cb 0.61 -0.51 -0.12 0.00 -2.53 0.00 0.00 39.78 37.24 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 -0.36 1.59 0.00 -0.53 -0.04 -1.26 -1.13 135.00 133.26 1ro3 n PRO 43 Ca 0.35 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1ro3 n PRO 43 Cb 0.54 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 2.71 0.00 0.00 0.54 -0.00 -1.26 -4.92 115.22 112.30 1ro3 n HIS 44 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1ro3 n HIS 44 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.64 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 -0.52 -0.41 5.02 -1.26 -3.86 118.16 117.12 1ro3 n LYS 45 Ca 0.00 0.09 -0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1ro3 n LYS 45 Cb 0.00 -0.15 -0.00 0.00 -0.02 0.00 0.00 35.03 34.86 1ro3 n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ro3 n GLY 46 N -0.85 0.87 0.00 0.72 0.00 -1.26 -4.94 105.19 99.74 1ro3 n GLY 46 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.85 0.00 1.61 -0.04 -1.11 -5.05 135.00 131.26 1ro3 n PRO 47 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ro3 n PRO 47 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 0.00 -0.98 0.55 0.00 -0.28 -4.48 120.51 112.32 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91