#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 -4.31 1.53 0.00 0.00 4.07 -1.26 -5.01 120.64 115.66 1ro3 n GLU 3 Ca -0.40 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.70 1ro3 n GLU 3 Cb 0.75 -0.94 0.00 0.00 -0.06 0.00 0.00 31.44 31.20 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 -2.13 0.00 -4.90 4.31 2.88 -1.26 -5.13 113.62 107.39 1ro3 n SER 4 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1ro3 n SER 4 Cb 0.44 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.00 2.20 0.26 0.46 0.00 -1.26 -2.73 107.32 106.25 1ro3 s GLY 5 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 43.98 1ro3 s GLY 5 CO 0.00 -0.57 0.28 -1.55 0.00 0.00 0.00 173.10 171.26 1ro3 n PRO 6 N 0.92 -0.89 -2.57 2.90 -0.04 -1.25 -1.39 135.00 132.68 1ro3 n PRO 6 Ca -0.10 -0.44 -0.06 0.00 -0.04 0.00 0.00 63.50 62.85 1ro3 n PRO 6 Cb 0.53 -0.35 0.01 0.00 -0.04 0.00 0.00 33.50 33.65 1ro3 n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ro3 n ARG 9 N 2.02 -0.01 0.00 0.00 0.00 -1.24 -2.86 116.66 114.57 1ro3 n ARG 9 Ca 0.10 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 1ro3 n ARG 9 Cb 0.63 -0.21 0.00 0.00 -0.00 0.00 0.00 32.46 32.88 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 -3.37 0.00 0.00 2.89 0.23 -1.26 -4.08 115.26 109.66 1ro3 n ASN 10 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1ro3 n ASN 10 Cb 0.10 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 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 0.53 0.00 0.00 3.00 -1.26 -5.06 118.16 115.37 1ro3 n LYS 12 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 57.01 1ro3 n LYS 12 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 35.03 34.21 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 1.21 0.00 0.00 5.64 7.35 -0.91 -4.58 117.46 126.18 1ro3 n PHE 13 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1ro3 n PHE 13 Cb 0.68 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.51 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 0.81 0.00 -2.13 -0.00 -1.26 -4.86 117.00 109.56 1ro3 n LEU 14 Ca 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 1ro3 n LEU 14 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1ro3 n LEU 14 CO 0.00 -0.23 0.00 2.29 -0.00 0.00 0.00 177.39 179.45 1ro3 n LYS 15 N -1.19 0.00 0.00 1.96 2.85 -1.26 -5.05 118.16 115.47 1ro3 n LYS 15 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ro3 n LYS 15 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1ro3 n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ro3 n GLU 16 N 0.00 0.00 0.00 -1.58 1.02 -1.26 -4.17 120.64 114.65 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 -0.60 2.49 0.62 0.00 -1.26 -5.08 105.19 101.35 1ro3 n GLY 17 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.05 1.08 2.61 -4.23 -1.26 -4.64 115.64 109.25 1ro3 s THR 18 Ca 0.00 -1.33 -0.21 0.00 -1.18 0.00 0.00 61.69 58.97 1ro3 s THR 18 Cb 0.00 -1.06 0.02 0.00 1.34 0.00 0.00 72.50 72.80 1ro3 s THR 18 CO 0.00 -0.89 -0.47 0.00 -0.54 0.00 0.00 174.62 172.72 1ro3 n ILE 19 N 4.52 0.00 -0.01 2.99 3.06 -1.16 0.85 119.36 129.60 1ro3 n ILE 19 Ca 0.05 -0.19 -0.01 0.00 -2.50 0.00 0.00 62.75 60.09 1ro3 n ILE 19 Cb 0.39 -0.41 -0.02 0.00 0.54 0.00 0.00 39.64 40.14 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 -2.06 0.56 -0.85 0.00 -0.14 -1.26 -4.94 119.74 111.05 1ro3 s LYS 21 Ca -0.02 0.86 -0.21 0.00 -1.36 0.00 0.00 55.97 55.24 1ro3 s LYS 21 Cb 0.01 0.46 -0.21 0.00 -1.68 0.00 0.00 37.83 36.41 1ro3 s LYS 21 CO 0.10 -0.73 2.37 -2.13 -0.76 0.00 0.00 175.35 174.19 1ro3 n ARG 22 N 5.43 0.36 0.00 1.68 3.00 -1.26 -4.70 116.66 121.16 1ro3 n ARG 22 Ca 0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 57.85 57.55 1ro3 n ARG 22 Cb 0.52 -2.42 0.00 0.00 0.00 0.00 0.00 32.46 30.56 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 12.60 0.00 -0.35 5.13 0.00 -1.26 -4.75 120.51 131.88 1ro3 n ALA 23 Ca 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.93 1ro3 n ALA 23 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 -0.32 0.00 0.00 -4.01 -1.26 -4.49 116.66 106.58 1ro3 n ARG 24 Ca 0.00 1.29 0.00 0.00 -1.04 0.00 0.00 57.85 58.10 1ro3 n ARG 24 Cb 0.00 -1.90 0.00 0.00 -3.04 0.00 0.00 32.46 27.52 1ro3 n ARG 24 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1ro3 n GLY 25 N -1.27 0.63 0.00 2.89 0.00 -1.26 -4.80 105.19 101.37 1ro3 n GLY 25 Ca 0.04 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 0.00 -4.92 1.61 -0.08 -1.26 -4.95 116.55 106.95 1ro3 n ASP 26 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 1ro3 n ASP 26 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1ro3 n ASP 26 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ro3 s ASP 27 N 0.00 5.62 0.19 1.67 2.15 -1.26 -4.78 116.67 120.27 1ro3 s ASP 27 Ca 0.00 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.63 1ro3 s ASP 27 Cb 0.00 -1.08 0.00 0.00 -0.30 0.00 0.00 42.92 41.54 1ro3 s ASP 27 CO 0.00 -0.41 0.00 0.23 -0.17 0.00 0.00 175.17 174.82 1ro3 n MET 28 N -1.52 0.00 0.00 4.34 2.81 -1.26 -4.82 117.12 116.67 1ro3 n MET 28 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1ro3 n MET 28 Cb 0.59 -0.04 0.00 0.00 -0.71 0.00 0.00 33.22 33.06 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 -3.19 0.00 -3.19 7.83 8.00 -1.12 -4.65 116.55 120.22 1ro3 n ASP 29 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 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 -1.81 -0.39 0.00 0.00 177.20 175.00 1ro3 s ASP 30 N -4.00 -1.08 0.42 -2.24 1.11 0.23 -3.20 116.67 107.91 1ro3 s ASP 30 Ca 0.00 0.42 0.07 0.00 0.18 0.00 0.00 52.55 53.22 1ro3 s ASP 30 Cb 0.00 1.88 -0.04 0.00 1.07 0.00 0.00 42.92 45.83 1ro3 s ASP 30 CO 0.00 -0.29 0.24 -0.72 1.18 0.00 0.00 175.17 175.58 1ro3 s TYR 31 N 2.78 2.62 0.00 4.23 1.13 4.83 -3.73 117.35 129.20 1ro3 s TYR 31 Ca 0.15 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 1ro3 s TYR 31 Cb -0.13 -2.02 0.00 0.00 -1.10 0.00 0.00 41.96 38.71 1ro3 s TYR 31 CO -0.23 0.09 0.00 0.00 -2.51 0.00 0.00 175.55 172.90 1ro3 n ASN 33 N 0.00 0.00 -2.55 0.00 6.94 -1.26 -3.74 115.26 114.65 1ro3 n ASN 33 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.47 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 -0.26 0.00 4.83 0.00 -1.26 -4.37 105.19 104.13 1ro3 n GLY 34 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.82 0.00 0.00 1.61 4.81 -1.26 -4.97 118.16 117.53 1ro3 n LYS 35 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1ro3 n LYS 35 Cb 0.22 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.27 1ro3 n LYS 35 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1ro3 n THR 36 N 0.00 0.00 -3.04 3.15 -1.04 -1.10 -4.46 114.28 107.78 1ro3 n THR 36 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 1ro3 n THR 36 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ro3 n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ro3 n ASP 38 N 5.10 1.51 -0.03 0.00 -0.08 -1.26 0.16 116.55 121.95 1ro3 n ASP 38 Ca 0.31 -1.75 0.00 0.00 -1.51 0.00 0.00 54.79 51.84 1ro3 n ASP 38 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 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 -0.74 2.15 -2.33 0.00 -0.04 -0.20 0.35 135.00 134.19 1ro3 n PRO 40 Ca 0.00 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 1ro3 n PRO 40 Cb 0.11 -3.11 0.05 0.00 -0.04 0.00 0.00 33.50 30.51 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 6.62 1.10 -3.09 0.54 0.63 -1.21 -4.38 116.66 116.87 1ro3 n ARG 41 Ca 0.51 -2.53 -0.30 0.00 -0.92 0.00 0.00 57.85 54.60 1ro3 n ARG 41 Cb 0.40 -0.69 -0.04 0.00 0.45 0.00 0.00 32.46 32.58 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 -0.45 4.76 -0.88 6.15 2.04 -1.26 -3.01 115.26 122.61 1ro3 n ASN 42 Ca -0.01 -3.57 0.00 0.00 -0.44 0.00 0.00 54.58 50.56 1ro3 n ASN 42 Cb 0.89 -0.74 0.00 0.00 -2.53 0.00 0.00 39.78 37.40 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 0.34 0.75 0.00 -0.53 -0.04 -1.26 -2.14 135.00 132.12 1ro3 n PRO 43 Ca 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ro3 n PRO 43 Cb 0.38 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.51 0.00 0.00 0.54 -0.00 -1.26 -4.82 115.22 110.18 1ro3 n HIS 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1ro3 n HIS 44 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 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 5.02 -1.26 -3.80 118.16 117.71 1ro3 n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ro3 n LYS 45 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.04 0.00 0.00 0.72 0.00 -1.26 -4.77 105.19 99.84 1ro3 n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.98 1.61 -0.04 -1.22 -5.07 135.00 129.29 1ro3 n PRO 47 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ro3 n PRO 47 Cb 0.00 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.37 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 -2.34 -0.73 0.55 0.00 -0.91 -5.03 120.51 109.05 1ro3 n ALA 48 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1ro3 n ALA 48 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91