#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 -4.87 0.46 0.00 0.00 2.13 -1.26 -5.00 120.64 112.09 1ro3 n GLU 3 Ca 0.02 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1ro3 n GLU 3 Cb 0.19 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ro3 n SER 4 N -3.12 0.00 -4.66 4.31 2.88 -1.13 -5.12 113.62 106.78 1ro3 n SER 4 Ca -0.33 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.76 1ro3 n SER 4 Cb 0.84 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.26 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 1.68 3.79 0.46 0.00 -1.26 -3.37 105.19 106.49 1ro3 n GLY 5 Ca 0.00 0.84 -0.29 0.00 0.00 0.00 0.00 46.02 46.57 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 4.43 1.40 0.00 1.61 0.04 -1.26 -3.86 135.00 137.35 1ro3 s PRO 6 Ca 0.91 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1ro3 s PRO 6 Cb -0.53 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1ro3 s PRO 6 CO 0.46 -2.04 0.00 0.00 0.04 0.00 0.00 177.00 175.46 1ro3 n ARG 9 N -1.01 2.37 0.00 0.00 0.00 0.12 -4.19 116.66 113.95 1ro3 n ARG 9 Ca 0.10 -2.03 0.00 0.00 -0.00 0.00 0.00 57.85 55.92 1ro3 n ARG 9 Cb 0.50 -1.49 0.00 0.00 -0.00 0.00 0.00 32.46 31.47 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 1.33 0.00 0.00 2.89 0.23 -1.26 -4.89 115.26 113.56 1ro3 n ASN 10 Ca 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 1ro3 n ASN 10 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ro3 s LYS 12 N -0.02 1.91 0.33 0.00 -2.85 -1.26 -4.54 119.74 113.31 1ro3 s LYS 12 Ca 0.00 -0.77 -0.27 0.00 -1.00 0.00 0.00 55.97 53.93 1ro3 s LYS 12 Cb 0.00 -1.77 -0.13 0.00 -2.06 0.00 0.00 37.83 33.87 1ro3 s LYS 12 CO 0.00 0.42 1.00 0.34 0.10 0.00 0.00 175.35 177.20 1ro3 n PHE 13 N 2.72 1.21 0.00 1.78 7.35 -1.26 -0.70 117.46 128.56 1ro3 n PHE 13 Ca -0.16 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 1ro3 n PHE 13 Cb 0.52 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 38.11 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 1.05 0.17 0.00 -2.13 -0.00 0.31 -4.70 117.00 111.70 1ro3 n LEU 14 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1ro3 n LEU 14 Cb 0.34 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1ro3 n LEU 14 CO 0.59 -0.12 0.00 1.17 -0.00 0.00 0.00 177.39 179.03 1ro3 n LYS 15 N -1.68 0.00 0.00 1.96 4.81 -1.26 -5.07 118.16 116.92 1ro3 n LYS 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ro3 n LYS 15 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -0.06 1.64 1.02 -1.26 -3.02 120.64 118.96 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 0.97 0.18 0.62 0.00 -1.26 -4.97 105.19 100.73 1ro3 n GLY 17 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1ro3 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ro3 h THR 18 N 0.00 0.00 -1.92 2.61 2.02 -1.73 -3.45 112.91 110.44 1ro3 h THR 18 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1ro3 h THR 18 Cb 0.00 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1ro3 h THR 18 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1ro3 n ILE 19 N -2.68 0.00 0.00 3.11 3.06 -1.14 0.48 119.36 122.19 1ro3 n ILE 19 Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1ro3 n ILE 19 Cb 0.40 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.58 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 -0.18 0.52 -0.56 0.00 1.02 -1.24 -2.73 119.74 116.57 1ro3 s LYS 21 Ca 0.00 -1.25 -0.05 0.00 0.02 0.00 0.00 55.97 54.69 1ro3 s LYS 21 Cb 0.00 -1.31 -0.19 0.00 -0.52 0.00 0.00 37.83 35.81 1ro3 s LYS 21 CO 0.00 -1.19 1.57 -2.13 -0.92 0.00 0.00 175.35 172.69 1ro3 n ARG 22 N 4.18 0.00 0.00 1.68 3.00 -1.26 -4.31 116.66 119.95 1ro3 n ARG 22 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1ro3 n ARG 22 Cb 0.38 -0.93 0.00 0.00 0.00 0.00 0.00 32.46 31.91 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 4.74 -0.15 -0.18 5.13 0.00 -1.26 0.40 120.51 129.20 1ro3 n ALA 23 Ca 0.38 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.96 1ro3 n ALA 23 Cb 0.26 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.45 -0.00 0.00 0.00 1.85 -1.26 -4.03 116.66 111.77 1ro3 n ARG 24 Ca 0.00 0.33 0.00 0.00 -1.00 0.00 0.00 57.85 57.18 1ro3 n ARG 24 Cb 0.00 -0.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 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 -1.22 2.80 3.16 2.89 0.00 -1.20 -4.77 105.19 106.86 1ro3 n GLY 25 Ca 0.12 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 1.00 4.94 0.34 1.61 1.01 -0.61 -4.94 116.67 120.03 1ro3 s ASP 26 Ca 0.00 -1.42 -0.19 0.00 0.71 0.00 0.00 52.55 51.64 1ro3 s ASP 26 Cb 0.00 -1.73 -0.14 0.00 1.01 0.00 0.00 42.92 42.06 1ro3 s ASP 26 CO 0.00 -0.31 0.11 -0.90 0.21 0.00 0.00 175.17 174.28 1ro3 n ASP 27 N 4.60 -2.42 0.00 0.27 5.68 1.31 -3.98 116.55 122.02 1ro3 n ASP 27 Ca -0.11 0.74 0.00 0.00 -0.50 0.00 0.00 54.79 54.92 1ro3 n ASP 27 Cb 0.43 -0.78 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 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 1.15 0.00 0.00 0.11 2.81 -1.26 -4.27 117.12 115.66 1ro3 n MET 28 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1ro3 n MET 28 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 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 -3.46 7.83 10.43 1.77 -4.84 116.55 128.28 1ro3 n ASP 29 Ca 0.00 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.37 1ro3 n ASP 29 Cb 0.00 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 42.92 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 -0.79 -0.01 -2.24 3.84 0.53 -2.74 116.67 116.25 1ro3 s ASP 30 Ca 0.00 1.04 0.03 0.00 -0.00 0.00 0.00 52.55 53.61 1ro3 s ASP 30 Cb 0.00 1.88 -0.03 0.00 -1.38 0.00 0.00 42.92 43.39 1ro3 s ASP 30 CO 0.00 -0.15 -0.07 -0.72 -0.00 0.00 0.00 175.17 174.23 1ro3 s TYR 31 N 2.63 2.89 0.08 2.11 -0.85 -1.26 -4.34 117.35 118.62 1ro3 s TYR 31 Ca -0.03 -0.03 -0.35 0.00 -0.52 0.00 0.00 57.07 56.14 1ro3 s TYR 31 Cb -0.08 -1.63 -0.15 0.00 0.38 0.00 0.00 41.96 40.48 1ro3 s TYR 31 CO -0.18 0.36 1.53 0.00 -1.52 0.00 0.00 175.55 175.74 1ro3 n ASN 33 N 3.50 4.29 -1.43 0.00 0.23 -1.14 -4.62 115.26 116.09 1ro3 n ASN 33 Ca 0.19 -3.12 -0.16 0.00 -0.53 0.00 0.00 54.58 50.95 1ro3 n ASN 33 Cb 0.24 -0.62 -0.05 0.00 -2.08 0.00 0.00 39.78 37.27 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 -0.29 1.09 1.58 4.83 0.00 -1.26 -4.66 105.19 106.47 1ro3 n GLY 34 Ca 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.54 0.00 -3.65 1.61 4.81 -1.26 -4.95 118.16 112.17 1ro3 n LYS 35 Ca -0.17 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.16 1ro3 n LYS 35 Cb 0.57 -0.08 -0.04 0.00 0.02 0.00 0.00 35.03 35.50 1ro3 n LYS 35 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1ro3 s THR 36 N -1.79 0.04 -0.78 3.15 2.01 -1.22 -4.51 115.64 112.55 1ro3 s THR 36 Ca 0.00 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1ro3 s THR 36 Cb 0.00 -1.33 0.27 0.00 0.01 0.00 0.00 72.50 71.45 1ro3 s THR 36 CO 0.00 -0.18 0.98 0.00 -0.69 0.00 0.00 174.62 174.73 1ro3 n ASP 38 N 1.00 -0.12 -1.39 0.00 5.75 -1.26 -3.69 116.55 116.84 1ro3 n ASP 38 Ca 0.29 -2.89 -0.10 0.00 -0.01 0.00 0.00 54.79 52.07 1ro3 n ASP 38 Cb 0.38 -0.24 0.01 0.00 -1.03 0.00 0.00 41.12 40.25 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ro3 n PRO 40 N -2.15 2.09 -2.67 0.00 -0.04 -1.10 -2.12 135.00 129.01 1ro3 n PRO 40 Ca -0.07 -1.22 -0.04 0.00 -0.04 0.00 0.00 63.50 62.13 1ro3 n PRO 40 Cb 0.57 -2.21 0.11 0.00 -0.04 0.00 0.00 33.50 31.93 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 3.22 0.19 -2.71 0.54 0.63 -1.23 -3.57 116.66 113.72 1ro3 n ARG 41 Ca 0.45 -0.77 -0.17 0.00 -0.92 0.00 0.00 57.85 56.44 1ro3 n ARG 41 Cb 0.46 -0.22 0.01 0.00 0.45 0.00 0.00 32.46 33.16 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 0.68 2.48 -1.43 6.15 2.04 -1.24 0.31 115.26 124.25 1ro3 n ASN 42 Ca -0.04 -3.10 0.00 0.00 -0.44 0.00 0.00 54.58 51.00 1ro3 n ASN 42 Cb 0.75 -0.53 0.00 0.00 -2.53 0.00 0.00 39.78 37.47 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 -0.14 0.75 0.00 -0.53 -0.04 -1.26 0.12 135.00 133.90 1ro3 n PRO 43 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1ro3 n PRO 43 Cb 0.72 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 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 1.31 0.00 0.00 0.54 8.25 -1.26 -4.85 115.22 119.21 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 -0.06 -0.41 4.76 -1.26 -3.81 118.16 117.37 1ro3 n LYS 45 Ca 0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1ro3 n LYS 45 Cb 0.00 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 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 -0.41 -2.54 0.00 0.72 0.00 -1.26 -4.82 105.19 96.88 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 0.32 0.00 1.61 -0.04 -0.96 -5.02 135.00 130.91 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 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.05 0.55 0.00 0.33 -4.10 120.51 114.23 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