#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 -3.33 1.15 -0.83 0.00 0.28 -1.26 -4.92 120.64 111.73 1ro3 n GLU 3 Ca -0.04 -2.88 0.00 0.00 -0.16 0.00 0.00 57.16 54.07 1ro3 n GLU 3 Cb 0.16 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 31.99 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 -0.41 -0.05 -4.87 -1.84 2.88 -1.26 -4.98 113.62 103.10 1ro3 n SER 4 Ca 0.15 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.32 1ro3 n SER 4 Cb 0.90 -0.85 -0.06 0.00 -0.75 0.00 0.00 64.21 63.45 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 -2.00 2.28 0.92 0.46 0.00 -1.26 -3.79 107.32 103.93 1ro3 s GLY 5 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 1ro3 s GLY 5 CO 0.00 -0.22 1.14 2.56 0.00 0.00 0.00 173.10 176.58 1ro3 s PRO 6 N -1.22 1.08 -0.05 2.90 0.04 -1.24 -3.06 135.00 133.46 1ro3 s PRO 6 Ca 0.21 0.27 -0.00 0.00 0.04 0.00 0.00 61.00 61.51 1ro3 s PRO 6 Cb -0.14 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1ro3 s PRO 6 CO 0.10 -2.23 0.05 0.00 0.04 0.00 0.00 177.00 174.95 1ro3 n ARG 9 N 0.58 0.00 0.00 0.00 1.85 -1.25 0.00 116.66 117.84 1ro3 n ARG 9 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1ro3 n ARG 9 Cb 0.69 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.10 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1ro3 n ASN 10 N -3.63 0.28 0.00 2.89 0.23 -1.26 -3.98 115.26 109.79 1ro3 n ASN 10 Ca 0.00 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.92 1ro3 n ASN 10 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.27 0.00 4.76 -1.26 -5.06 118.16 116.33 1ro3 n LYS 12 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ro3 n LYS 12 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1ro3 n LYS 12 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ro3 n PHE 13 N 0.00 0.00 0.00 2.13 -0.00 -1.22 -4.88 117.46 113.49 1ro3 n PHE 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1ro3 n PHE 13 Cb 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 39.48 37.94 1ro3 n PHE 13 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1ro3 n LEU 14 N -0.15 0.01 0.00 -2.13 -0.00 -1.26 -4.81 117.00 108.67 1ro3 n LEU 14 Ca 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1ro3 n LEU 14 Cb 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1ro3 n LEU 14 CO 0.00 -0.50 0.00 1.17 -0.00 0.00 0.00 177.39 178.06 1ro3 n LYS 15 N -2.13 0.00 -0.37 1.96 4.81 -1.26 -5.05 118.16 116.12 1ro3 n LYS 15 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1ro3 n LYS 15 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 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 -2.14 120.64 119.90 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 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 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 1.40 0.13 0.00 0.62 0.00 -1.26 -5.11 105.19 100.98 1ro3 n GLY 17 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.45 2.61 -2.24 -0.91 -4.81 114.28 105.48 1ro3 n THR 18 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1ro3 n THR 18 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.02 -0.30 0.00 2.28 2.07 -1.09 -4.02 121.20 120.12 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 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1ro3 s ILE 19 CO 0.00 0.00 0.13 0.00 -1.91 0.00 0.00 174.94 173.16 1ro3 s LYS 21 N -0.29 0.34 -0.71 0.00 2.20 -1.26 -3.83 119.74 116.19 1ro3 s LYS 21 Ca 0.00 0.07 -0.11 0.00 -0.36 0.00 0.00 55.97 55.58 1ro3 s LYS 21 Cb 0.00 -0.53 -0.09 0.00 -1.51 0.00 0.00 37.83 35.70 1ro3 s LYS 21 CO 0.00 -0.14 1.89 -2.13 -0.36 0.00 0.00 175.35 174.60 1ro3 n ARG 22 N 4.21 1.55 0.00 4.03 3.00 -1.22 -4.36 116.66 123.87 1ro3 n ARG 22 Ca -0.25 -1.41 0.00 0.00 -0.00 0.00 0.00 57.85 56.19 1ro3 n ARG 22 Cb 0.50 -2.52 0.00 0.00 0.00 0.00 0.00 32.46 30.44 1ro3 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ro3 n ALA 23 N 5.45 0.00 0.01 5.13 0.00 -1.26 0.33 120.51 130.17 1ro3 n ALA 23 Ca 0.40 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.97 1ro3 n ALA 23 Cb 0.20 0.45 0.21 0.00 0.00 0.00 0.00 19.45 20.31 1ro3 n ALA 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ro3 n ARG 24 N -2.74 0.02 0.00 0.00 1.85 -1.26 -4.09 116.66 110.44 1ro3 n ARG 24 Ca 0.00 0.83 0.00 0.00 -1.00 0.00 0.00 57.85 57.68 1ro3 n ARG 24 Cb 0.00 -2.13 0.00 0.00 -1.05 0.00 0.00 32.46 29.28 1ro3 n ARG 24 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ro3 n GLY 25 N -1.47 0.98 2.95 2.89 0.00 0.78 -4.86 105.19 106.47 1ro3 n GLY 25 Ca 0.11 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 1.05 0.36 0.03 1.61 -0.00 1.02 -4.88 116.67 115.86 1ro3 s ASP 26 Ca 0.00 0.32 -0.05 0.00 -0.00 0.00 0.00 52.55 52.82 1ro3 s ASP 26 Cb 0.00 0.98 -0.03 0.00 -0.00 0.00 0.00 42.92 43.88 1ro3 s ASP 26 CO 0.00 -0.29 0.08 -0.90 -0.00 0.00 0.00 175.17 174.07 1ro3 n ASP 27 N 5.36 -0.21 -0.03 0.27 5.75 -1.17 -3.41 116.55 123.10 1ro3 n ASP 27 Ca -0.05 0.18 -0.05 0.00 -0.01 0.00 0.00 54.79 54.87 1ro3 n ASP 27 Cb 0.50 -0.16 -0.02 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.17 0.27 0.00 0.11 2.81 -1.24 -4.16 117.12 115.07 1ro3 n MET 28 Ca 0.03 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1ro3 n MET 28 Cb 0.04 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 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 -3.73 0.19 -3.15 7.83 9.92 0.27 -4.89 116.55 122.99 1ro3 n ASP 29 Ca -0.07 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.24 1ro3 n ASP 29 Cb 0.27 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1ro3 n ASP 29 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1ro3 s ASP 30 N 1.37 -0.53 0.29 -2.24 3.84 -0.55 -2.09 116.67 116.76 1ro3 s ASP 30 Ca 0.00 0.13 0.06 0.00 -0.00 0.00 0.00 52.55 52.73 1ro3 s ASP 30 Cb 0.00 1.36 -0.02 0.00 -1.38 0.00 0.00 42.92 42.88 1ro3 s ASP 30 CO 0.00 -0.10 0.39 -0.72 -0.00 0.00 0.00 175.17 174.74 1ro3 s TYR 31 N 2.95 3.25 0.00 2.11 1.13 -1.26 -3.94 117.35 121.59 1ro3 s TYR 31 Ca 0.19 -0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.72 1ro3 s TYR 31 Cb -0.05 -1.74 0.00 0.00 -1.10 0.00 0.00 41.96 39.07 1ro3 s TYR 31 CO -0.20 0.25 0.00 0.00 -2.51 0.00 0.00 175.55 173.09 1ro3 n ASN 33 N 0.00 0.00 -3.38 0.00 6.94 -1.24 -4.27 115.26 113.31 1ro3 n ASN 33 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.42 1ro3 n ASN 33 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ro3 n ASN 33 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ro3 n GLY 34 N 0.00 -0.47 0.00 4.83 0.00 -1.26 -4.34 105.19 103.96 1ro3 n GLY 34 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ro3 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ro3 n LYS 35 N -1.91 0.00 -3.60 1.61 5.02 -1.26 -5.00 118.16 113.02 1ro3 n LYS 35 Ca -0.10 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1ro3 n LYS 35 Cb 0.27 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.27 1ro3 n LYS 35 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ro3 s THR 36 N 0.00 0.00 -0.51 -0.18 -1.32 -1.25 -4.72 115.64 107.66 1ro3 s THR 36 Ca 0.00 -0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.50 1ro3 s THR 36 Cb 0.00 -1.50 0.34 0.00 -1.51 0.00 0.00 72.50 69.83 1ro3 s THR 36 CO 0.00 0.00 0.86 0.00 -2.21 0.00 0.00 174.62 173.27 1ro3 n ASP 38 N 0.02 0.71 -1.17 0.00 2.03 -1.26 -0.31 116.55 116.56 1ro3 n ASP 38 Ca 0.29 -2.84 -0.09 0.00 0.52 0.00 0.00 54.79 52.67 1ro3 n ASP 38 Cb 0.48 -0.64 0.01 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.94 2.19 -2.69 0.00 -0.04 -0.54 -1.31 135.00 130.66 1ro3 n PRO 40 Ca -0.07 -1.30 -0.05 0.00 -0.04 0.00 0.00 63.50 62.04 1ro3 n PRO 40 Cb 0.56 -2.26 0.05 0.00 -0.04 0.00 0.00 33.50 31.80 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 3.33 0.29 -2.92 0.54 0.63 -1.23 -4.25 116.66 113.05 1ro3 n ARG 41 Ca 0.47 -1.09 -0.13 0.00 -0.92 0.00 0.00 57.85 56.18 1ro3 n ARG 41 Cb 0.41 -0.49 0.04 0.00 0.45 0.00 0.00 32.46 32.87 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 2.10 -0.93 -1.97 6.15 2.04 -1.26 0.32 115.26 121.71 1ro3 n ASN 42 Ca 0.08 -3.35 -0.06 0.00 -0.44 0.00 0.00 54.58 50.81 1ro3 n ASN 42 Cb 0.65 0.79 -0.09 0.00 -2.53 0.00 0.00 39.78 38.61 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 0.28 1.28 0.00 -0.53 -0.04 -1.26 -1.59 135.00 133.15 1ro3 n PRO 43 Ca 0.14 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1ro3 n PRO 43 Cb 0.69 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 2.33 0.00 0.00 0.54 -0.00 -1.26 -4.94 115.22 111.89 1ro3 n HIS 44 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 1ro3 n HIS 44 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 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 -1.08 -0.41 4.76 -1.26 -3.58 118.16 116.59 1ro3 n LYS 45 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1ro3 n LYS 45 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 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 -0.29 0.74 0.00 0.72 0.00 -1.26 -4.90 105.19 100.21 1ro3 n GLY 46 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.19 2.01 0.00 1.61 -0.04 -1.16 -5.08 135.00 132.53 1ro3 n PRO 47 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ro3 n PRO 47 Cb 0.85 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.31 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 -1.20 0.55 0.00 -0.62 -4.72 120.51 111.52 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