#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 -1.00 -1.65 -0.60 0.00 4.71 -1.26 -4.94 120.64 115.89 1ro3 n GLU 3 Ca 0.19 0.65 -0.02 0.00 -0.01 0.00 0.00 57.16 57.96 1ro3 n GLU 3 Cb 0.09 -4.70 -0.02 0.00 -1.01 0.00 0.00 31.44 25.79 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ro3 n SER 4 N -2.77 -0.35 0.00 1.62 2.88 -1.26 -5.15 113.62 108.59 1ro3 n SER 4 Ca -0.05 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 1ro3 n SER 4 Cb 0.59 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 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 0.00 0.85 3.77 0.46 0.00 -1.26 -5.03 105.19 103.98 1ro3 n GLY 5 Ca -0.10 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.87 0.06 -0.25 1.61 0.04 -1.23 -3.38 135.00 129.98 1ro3 s PRO 6 Ca 0.00 -0.12 -0.00 0.00 0.04 0.00 0.00 61.00 60.92 1ro3 s PRO 6 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1ro3 s PRO 6 CO 0.00 -2.85 0.21 0.00 0.04 0.00 0.00 177.00 174.40 1ro3 n ARG 9 N -0.45 0.00 -0.08 0.00 1.85 -1.26 -0.91 116.66 115.82 1ro3 n ARG 9 Ca -0.17 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.59 1ro3 n ARG 9 Cb 0.72 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 32.03 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 -0.10 2.05 0.00 2.89 0.23 -1.26 -1.65 115.26 117.42 1ro3 n ASN 10 Ca 0.00 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 1ro3 n ASN 10 Cb 0.00 0.38 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 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 -1.31 0.00 0.00 -1.26 -5.09 118.16 110.50 1ro3 n LYS 12 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.32 1ro3 n LYS 12 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 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 -3.58 0.00 5.64 7.35 -1.26 -4.90 117.46 120.72 1ro3 n PHE 13 Ca 0.00 1.94 0.00 0.00 -0.76 0.00 0.00 57.45 58.63 1ro3 n PHE 13 Cb 0.00 -3.10 0.00 0.00 0.35 0.00 0.00 39.48 36.73 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 -2.55 0.00 -2.90 -2.13 -0.00 -1.26 -4.86 117.00 103.30 1ro3 n LEU 14 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.03 1ro3 n LEU 14 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1ro3 n LEU 14 CO 0.00 0.00 0.49 -1.59 -0.00 0.00 0.00 177.39 176.29 1ro3 s LYS 15 N 0.00 0.16 0.00 1.96 -2.85 -1.26 -5.09 119.74 112.66 1ro3 s LYS 15 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 1ro3 s LYS 15 Cb 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 1ro3 s LYS 15 CO 0.00 -0.24 0.00 0.39 0.10 0.00 0.00 175.35 175.60 1ro3 n GLU 16 N 4.17 0.00 0.00 1.78 1.02 -1.26 -4.02 120.64 122.33 1ro3 n GLU 16 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1ro3 n GLU 16 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 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 0.16 3.57 0.62 0.00 -1.26 -5.07 105.19 103.21 1ro3 n GLY 17 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ro3 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ro3 s THR 18 N 0.00 3.52 0.33 2.61 -4.23 -1.26 -4.80 115.64 111.81 1ro3 s THR 18 Ca 0.00 -0.72 -0.29 0.00 -1.18 0.00 0.00 61.69 59.50 1ro3 s THR 18 Cb 0.00 -4.36 -0.12 0.00 1.34 0.00 0.00 72.50 69.36 1ro3 s THR 18 CO 0.00 -1.01 1.45 0.00 -0.54 0.00 0.00 174.62 174.51 1ro3 n ILE 19 N 7.79 1.60 0.00 2.99 3.06 -1.17 0.82 119.36 134.45 1ro3 n ILE 19 Ca 0.43 -0.40 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1ro3 n ILE 19 Cb 0.47 -1.78 0.00 0.00 0.54 0.00 0.00 39.64 38.86 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 -0.06 1.57 -0.24 0.00 1.02 -1.25 -2.45 119.74 118.34 1ro3 s LYS 21 Ca 0.00 -0.28 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 1ro3 s LYS 21 Cb 0.00 -1.57 -0.02 0.00 -0.52 0.00 0.00 37.83 35.72 1ro3 s LYS 21 CO 0.00 -0.22 1.29 -2.13 -0.92 0.00 0.00 175.35 173.37 1ro3 n ARG 22 N 4.77 0.60 -0.13 1.68 3.00 0.87 -4.50 116.66 122.94 1ro3 n ARG 22 Ca -0.14 -0.69 -0.03 0.00 -0.00 0.00 0.00 57.85 56.99 1ro3 n ARG 22 Cb 0.50 -2.04 -0.03 0.00 0.00 0.00 0.00 32.46 30.89 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 4.42 -0.19 -0.26 5.13 0.00 0.76 0.93 120.51 131.30 1ro3 n ALA 23 Ca 0.13 0.26 0.20 0.00 0.00 0.00 0.00 53.44 54.03 1ro3 n ALA 23 Cb 0.06 0.15 0.32 0.00 0.00 0.00 0.00 19.45 19.98 1ro3 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ro3 n ARG 24 N -3.64 -0.01 0.00 0.00 1.74 -1.26 -2.40 116.66 111.10 1ro3 n ARG 24 Ca 0.01 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1ro3 n ARG 24 Cb 0.08 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 -1.32 0.00 0.00 -0.13 0.00 0.81 -4.89 105.19 99.66 1ro3 n GLY 25 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.13 0.00 -3.74 1.61 2.03 5.80 -5.00 116.55 115.13 1ro3 n ASP 26 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1ro3 n ASP 26 Cb 0.06 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.37 1ro3 n ASP 26 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1ro3 s ASP 27 N 2.00 -0.31 0.00 1.67 -4.77 -1.24 0.30 116.67 114.32 1ro3 s ASP 27 Ca 0.00 0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.66 1ro3 s ASP 27 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 42.92 42.35 1ro3 s ASP 27 CO 0.00 -0.34 0.00 0.23 0.70 0.00 0.00 175.17 175.76 1ro3 n MET 28 N 1.88 0.00 0.00 2.11 2.81 -1.07 -4.21 117.12 118.64 1ro3 n MET 28 Ca -0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1ro3 n MET 28 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.08 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 -0.83 1.85 -3.69 7.83 9.92 1.25 -4.93 116.55 127.96 1ro3 n ASP 29 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 1ro3 n ASP 29 Cb 0.00 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.31 1ro3 n ASP 29 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ro3 s ASP 30 N 1.43 0.89 -0.24 -2.24 1.01 0.66 -1.33 116.67 116.84 1ro3 s ASP 30 Ca 0.00 0.12 -0.00 0.00 0.71 0.00 0.00 52.55 53.37 1ro3 s ASP 30 Cb 0.00 -0.06 0.03 0.00 1.01 0.00 0.00 42.92 43.90 1ro3 s ASP 30 CO 0.00 -0.23 -0.09 -0.47 0.21 0.00 0.00 175.17 174.59 1ro3 s TYR 31 N 2.00 3.08 -0.08 4.23 5.04 4.52 -4.09 117.35 132.05 1ro3 s TYR 31 Ca 0.02 -1.76 -0.27 0.00 -2.44 0.00 0.00 57.07 52.62 1ro3 s TYR 31 Cb -0.12 -2.01 -0.13 0.00 0.35 0.00 0.00 41.96 40.05 1ro3 s TYR 31 CO -0.03 -0.78 0.78 0.00 -1.34 0.00 0.00 175.55 174.18 1ro3 n ASN 33 N 1.39 3.80 0.00 0.00 0.23 -1.24 -4.71 115.26 114.73 1ro3 n ASN 33 Ca 0.15 -3.02 0.00 0.00 -0.53 0.00 0.00 54.58 51.18 1ro3 n ASN 33 Cb 0.03 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.19 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 -0.56 1.90 0.49 4.83 0.00 -1.26 -4.73 105.19 105.85 1ro3 n GLY 34 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 0.06 -3.92 1.61 5.02 -1.26 -4.75 118.16 112.92 1ro3 n LYS 35 Ca 0.00 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 1ro3 n LYS 35 Cb 0.00 -0.41 -0.08 0.00 -0.02 0.00 0.00 35.03 34.52 1ro3 n LYS 35 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ro3 s THR 36 N -1.31 0.13 -1.02 -0.18 2.01 -1.26 -3.52 115.64 110.49 1ro3 s THR 36 Ca -0.03 -1.32 -0.06 0.00 0.31 0.00 0.00 61.69 60.59 1ro3 s THR 36 Cb 0.00 -1.52 0.25 0.00 0.01 0.00 0.00 72.50 71.25 1ro3 s THR 36 CO 0.05 -0.58 0.96 0.00 -0.69 0.00 0.00 174.62 174.36 1ro3 n ASP 38 N 2.54 -0.19 -0.89 0.00 -0.08 -1.26 0.17 116.55 116.84 1ro3 n ASP 38 Ca 0.23 -3.14 -0.03 0.00 -1.51 0.00 0.00 54.79 50.34 1ro3 n ASP 38 Cb 0.38 0.23 0.01 0.00 2.34 0.00 0.00 41.12 44.09 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ro3 n PRO 40 N -1.16 2.17 -2.66 0.00 -0.04 -1.25 -2.59 135.00 129.47 1ro3 n PRO 40 Ca -0.00 -1.29 -0.04 0.00 -0.04 0.00 0.00 63.50 62.13 1ro3 n PRO 40 Cb 0.51 -2.26 0.08 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 3.32 0.07 -2.73 0.54 0.63 -1.26 -3.86 116.66 113.37 1ro3 n ARG 41 Ca 0.46 -0.62 -0.10 0.00 -0.92 0.00 0.00 57.85 56.68 1ro3 n ARG 41 Cb 0.42 -0.13 0.02 0.00 0.45 0.00 0.00 32.46 33.22 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 1.36 1.26 -2.22 6.15 2.04 -1.25 0.79 115.26 123.39 1ro3 n ASN 42 Ca -0.00 -2.75 -0.11 0.00 -0.44 0.00 0.00 54.58 51.28 1ro3 n ASN 42 Cb 0.72 -0.49 -0.12 0.00 -2.53 0.00 0.00 39.78 37.36 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 -0.03 1.62 0.00 -0.53 -0.04 -1.25 0.12 135.00 134.89 1ro3 n PRO 43 Ca 0.11 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1ro3 n PRO 43 Cb 0.80 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 2.74 0.00 0.00 0.54 -0.00 -1.25 -4.89 115.22 112.36 1ro3 n HIS 44 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 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 0.00 -0.41 4.76 -1.26 -3.57 118.16 117.68 1ro3 n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ro3 n LYS 45 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -0.77 -0.48 0.39 0.72 0.00 -1.26 -4.95 105.19 98.84 1ro3 n GLY 46 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.68 0.00 1.61 -0.04 -0.92 -5.00 135.00 129.97 1ro3 n PRO 47 Ca 0.00 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1ro3 n PRO 47 Cb 0.41 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 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 -3.14 0.00 -0.25 0.55 0.00 0.32 -3.78 120.51 114.21 1ro3 n ALA 48 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ro3 n ALA 48 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91