#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 -4.03 0.57 0.00 0.00 4.07 -1.26 -4.77 120.64 115.22 1ro3 n GLU 3 Ca 0.32 -0.64 0.00 0.00 -0.06 0.00 0.00 57.16 56.78 1ro3 n GLU 3 Cb 1.28 0.30 0.00 0.00 -0.06 0.00 0.00 31.44 32.96 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ro3 n SER 4 N -0.65 0.00 0.00 4.31 2.88 -1.05 -5.10 113.62 114.00 1ro3 n SER 4 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1ro3 n SER 4 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 2.27 3.78 0.46 0.00 -1.26 -0.45 105.19 109.99 1ro3 n GLY 5 Ca 0.00 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 4.21 0.00 1.61 0.04 -1.22 -0.40 135.00 139.24 1ro3 s PRO 6 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1ro3 s PRO 6 Cb 0.00 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1ro3 s PRO 6 CO 0.00 -0.11 0.00 0.00 0.04 0.00 0.00 177.00 176.93 1ro3 n ARG 9 N 0.00 0.30 0.00 0.00 0.00 -1.26 -4.11 116.66 111.58 1ro3 n ARG 9 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1ro3 n ARG 9 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 30.96 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ro3 n ASN 10 N -1.23 0.00 0.00 2.89 3.02 -1.25 -4.82 115.26 113.87 1ro3 n ASN 10 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1ro3 n ASN 10 Cb 0.12 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ro3 n LYS 12 N 0.00 0.00 0.00 0.00 5.02 -1.26 -4.80 118.16 117.11 1ro3 n LYS 12 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ro3 n LYS 12 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ro3 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ro3 n PHE 13 N 0.00 0.00 0.00 2.13 7.35 -1.25 -4.30 117.46 121.38 1ro3 n PHE 13 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ro3 n PHE 13 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 0.00 0.79 -3.09 -2.13 -0.00 -1.26 -4.85 117.00 106.46 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 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ro3 n LEU 14 CO 0.00 0.00 0.61 -1.59 -0.00 0.00 0.00 177.39 176.41 1ro3 s LYS 15 N 0.00 0.04 0.00 1.96 -2.85 -1.26 -5.03 119.74 112.60 1ro3 s LYS 15 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.00 1ro3 s LYS 15 Cb 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.78 1ro3 s LYS 15 CO 0.00 -0.07 0.00 0.39 0.10 0.00 0.00 175.35 175.77 1ro3 n GLU 16 N 4.82 0.00 0.00 1.78 1.02 -1.26 -3.68 120.64 123.32 1ro3 n GLU 16 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1ro3 n GLU 16 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 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 -0.19 2.54 0.62 0.00 -1.26 -5.03 105.19 101.86 1ro3 n GLY 17 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.85 1.10 -4.05 2.61 -2.24 -1.24 -4.54 114.28 104.07 1ro3 n THR 18 Ca 0.00 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 1ro3 n THR 18 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.55 2.69 0.00 2.28 2.07 -1.19 0.40 121.20 126.90 1ro3 s ILE 19 Ca 0.53 -0.73 0.00 0.00 -1.41 0.00 0.00 60.65 59.04 1ro3 s ILE 19 Cb -0.75 -2.18 0.00 0.00 0.13 0.00 0.00 42.46 39.65 1ro3 s ILE 19 CO 0.42 0.49 0.06 0.00 -1.91 0.00 0.00 174.94 173.99 1ro3 s LYS 21 N -0.79 0.45 -0.85 0.00 1.02 -1.17 -3.47 119.74 114.94 1ro3 s LYS 21 Ca 0.00 0.11 -0.14 0.00 0.02 0.00 0.00 55.97 55.96 1ro3 s LYS 21 Cb 0.00 -0.26 -0.25 0.00 -0.52 0.00 0.00 37.83 36.81 1ro3 s LYS 21 CO 0.00 -1.05 2.12 -2.13 -0.92 0.00 0.00 175.35 173.37 1ro3 n ARG 22 N 5.28 0.17 0.00 1.68 3.00 -1.25 -4.36 116.66 121.18 1ro3 n ARG 22 Ca 0.02 -0.33 0.00 0.00 -0.00 0.00 0.00 57.85 57.54 1ro3 n ARG 22 Cb 0.50 -1.93 0.00 0.00 0.00 0.00 0.00 32.46 31.02 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 10.00 0.00 0.00 5.13 0.00 -1.26 0.42 120.51 134.80 1ro3 n ALA 23 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1ro3 n ALA 23 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.44 0.00 0.00 0.00 1.85 -1.26 -3.64 116.66 113.17 1ro3 n ARG 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ro3 n ARG 24 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 -0.75 1.47 3.03 2.89 0.00 -1.22 -4.80 105.19 105.81 1ro3 n GLY 25 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1ro3 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ro3 s ASP 26 N 1.00 3.71 0.38 1.61 -1.08 -0.36 -4.97 116.67 116.96 1ro3 s ASP 26 Ca 0.00 -1.03 -0.21 0.00 -0.52 0.00 0.00 52.55 50.79 1ro3 s ASP 26 Cb 0.00 -1.36 -0.15 0.00 -1.46 0.00 0.00 42.92 39.95 1ro3 s ASP 26 CO 0.00 -0.14 0.12 -0.90 0.52 0.00 0.00 175.17 174.77 1ro3 n ASP 27 N 4.60 -2.67 0.00 -0.34 5.68 1.42 -3.83 116.55 121.40 1ro3 n ASP 27 Ca -0.15 0.82 0.00 0.00 -0.50 0.00 0.00 54.79 54.96 1ro3 n ASP 27 Cb 0.45 -0.87 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 1ro3 n ASP 27 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1ro3 n MET 28 N 1.28 0.00 0.00 0.11 2.81 -1.23 -4.18 117.12 115.91 1ro3 n MET 28 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1ro3 n MET 28 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.89 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 0.00 0.00 -3.26 7.83 10.43 0.75 -4.85 116.55 127.46 1ro3 n ASP 29 Ca 0.00 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.39 1ro3 n ASP 29 Cb 0.00 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 42.94 1ro3 n ASP 29 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 1ro3 s ASP 30 N 1.00 -0.90 0.21 -2.24 -4.77 -0.95 0.11 116.67 109.12 1ro3 s ASP 30 Ca 0.00 0.75 0.07 0.00 -3.30 0.00 0.00 52.55 50.07 1ro3 s ASP 30 Cb 0.00 1.83 -0.04 0.00 -1.09 0.00 0.00 42.92 43.62 1ro3 s ASP 30 CO 0.00 -0.17 0.09 -0.72 0.70 0.00 0.00 175.17 175.07 1ro3 s TYR 31 N 2.81 2.99 -0.15 2.11 1.13 1.29 -4.30 117.35 123.23 1ro3 s TYR 31 Ca 0.06 -0.11 -0.29 0.00 -1.41 0.00 0.00 57.07 55.32 1ro3 s TYR 31 Cb -0.11 -1.40 -0.03 0.00 -1.10 0.00 0.00 41.96 39.32 1ro3 s TYR 31 CO -0.17 0.53 1.56 0.00 -2.51 0.00 0.00 175.55 174.97 1ro3 n ASN 33 N 7.63 3.87 -0.24 0.00 6.94 -1.15 -4.65 115.26 127.65 1ro3 n ASN 33 Ca 0.17 -3.59 -0.03 0.00 -0.02 0.00 0.00 54.58 51.11 1ro3 n ASN 33 Cb 0.44 -0.84 -0.01 0.00 -2.36 0.00 0.00 39.78 37.01 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 -1.11 0.28 0.00 4.83 0.00 -1.26 -4.58 105.19 103.35 1ro3 n GLY 34 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.39 1.16 -3.79 1.61 3.00 -1.26 -4.87 118.16 114.40 1ro3 n LYS 35 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1ro3 n LYS 35 Cb 0.47 -0.93 0.00 0.00 0.00 0.00 0.00 35.03 34.57 1ro3 n LYS 35 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1ro3 s THR 36 N -1.86 0.00 -0.47 3.15 -1.32 -1.26 -4.46 115.64 109.42 1ro3 s THR 36 Ca 0.00 -0.34 0.06 0.00 -1.21 0.00 0.00 61.69 60.20 1ro3 s THR 36 Cb 0.00 -2.45 0.40 0.00 -1.51 0.00 0.00 72.50 68.94 1ro3 s THR 36 CO 0.00 0.00 1.05 0.00 -2.21 0.00 0.00 174.62 173.46 1ro3 n ASP 38 N -0.39 2.03 -1.61 0.00 10.43 -1.26 -3.88 116.55 121.87 1ro3 n ASP 38 Ca 0.35 -3.12 -0.11 0.00 2.57 0.00 0.00 54.79 54.48 1ro3 n ASP 38 Cb 0.60 -0.64 0.02 0.00 1.84 0.00 0.00 41.12 42.94 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ro3 n PRO 40 N -2.38 1.88 -3.07 0.00 -0.04 -1.07 -2.57 135.00 127.75 1ro3 n PRO 40 Ca -0.06 -1.05 0.04 0.00 -0.04 0.00 0.00 63.50 62.39 1ro3 n PRO 40 Cb 0.56 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1ro3 n PRO 40 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1ro3 s ARG 41 N 1.89 0.24 0.00 0.54 6.06 -1.24 -3.33 118.95 123.12 1ro3 s ARG 41 Ca 0.51 0.13 0.00 0.00 -2.50 0.00 0.00 55.73 53.87 1ro3 s ARG 41 Cb 0.21 0.08 0.00 0.00 0.06 0.00 0.00 34.95 35.30 1ro3 s ARG 41 CO -0.01 -0.41 0.00 0.27 -2.50 0.00 0.00 175.30 172.65 1ro3 n ASN 42 N 4.81 0.00 -1.31 -2.12 2.04 -1.26 1.43 115.26 118.85 1ro3 n ASN 42 Ca 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.22 1ro3 n ASN 42 Cb 0.58 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.83 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 0.75 0.00 -0.53 -0.04 -1.26 -1.26 135.00 132.66 1ro3 n PRO 43 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ro3 n PRO 43 Cb 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.12 0.00 0.00 0.54 8.25 -1.26 -4.89 115.22 118.97 1ro3 n HIS 44 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ro3 n HIS 44 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1ro3 n HIS 44 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ro3 n LYS 45 N 0.00 0.00 -1.02 -0.41 5.02 -1.26 -4.05 118.16 116.44 1ro3 n LYS 45 Ca 0.00 0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.36 1ro3 n LYS 45 Cb 0.00 -0.22 0.01 0.00 -0.02 0.00 0.00 35.03 34.80 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 -0.22 0.76 0.00 0.72 0.00 -1.26 -4.86 105.19 100.33 1ro3 n GLY 46 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.25 1.11 0.00 1.61 -0.04 -1.13 -5.06 135.00 131.73 1ro3 n PRO 47 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1ro3 n PRO 47 Cb 0.92 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.38 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 -1.57 0.55 0.00 -0.39 -4.61 120.51 111.49 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