#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 0.00 0.94 0.00 0.00 0.00 -1.26 -4.95 120.64 115.36 1ro3 n GLU 3 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1ro3 n GLU 3 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 31.44 30.84 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ro3 n SER 4 N -0.18 0.00 -3.99 4.31 2.88 0.50 -5.15 113.62 111.99 1ro3 n SER 4 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1ro3 n SER 4 Cb 0.08 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.75 0.82 0.79 0.46 0.00 -1.22 -4.72 107.32 102.70 1ro3 s GLY 5 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 44.72 44.13 1ro3 s GLY 5 CO 0.00 0.33 1.09 2.56 0.00 0.00 0.00 173.10 177.08 1ro3 s PRO 6 N 0.99 2.17 0.00 2.90 0.04 -1.26 -2.14 135.00 137.70 1ro3 s PRO 6 Ca -0.08 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1ro3 s PRO 6 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1ro3 s PRO 6 CO -0.00 -1.57 0.00 0.00 0.04 0.00 0.00 177.00 175.47 1ro3 h ARG 9 N 0.00 0.00 0.00 0.00 -0.00 -1.78 -3.37 114.38 109.23 1ro3 h ARG 9 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1ro3 h ARG 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1ro3 h ARG 9 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.97 180.24 1ro3 n ASN 10 N -2.73 0.00 0.00 7.04 0.23 -1.26 -4.81 115.26 113.73 1ro3 n ASN 10 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 1ro3 n ASN 10 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 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 0.58 0.00 0.00 4.76 -1.26 -5.02 118.16 117.22 1ro3 n LYS 12 Ca 0.00 -1.48 0.00 0.00 -2.87 0.00 0.00 58.31 53.96 1ro3 n LYS 12 Cb 0.00 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 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 1.76 0.00 0.00 2.13 -0.00 -0.92 -4.33 117.46 116.10 1ro3 n PHE 13 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1ro3 n PHE 13 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.12 1ro3 n PHE 13 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 1ro3 n LEU 14 N 0.00 0.00 -2.88 -2.13 -0.00 -1.26 -4.78 117.00 105.95 1ro3 n LEU 14 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1ro3 n LEU 14 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1ro3 n LEU 14 CO 0.00 0.00 0.21 -1.59 -0.00 0.00 0.00 177.39 176.01 1ro3 s LYS 15 N 0.15 0.76 0.00 1.47 -2.85 -1.26 -5.03 119.74 112.98 1ro3 s LYS 15 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 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 -1.00 0.00 0.39 0.10 0.00 0.00 175.35 174.84 1ro3 n GLU 16 N 3.39 0.00 0.00 1.78 1.02 -1.26 -3.79 120.64 121.78 1ro3 n GLU 16 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 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 0.80 3.51 0.62 0.00 -1.26 -5.07 105.19 103.78 1ro3 n GLY 17 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.59 4.21 0.27 2.61 -4.23 -1.25 -4.83 115.64 110.84 1ro3 s THR 18 Ca 0.00 -0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 59.38 1ro3 s THR 18 Cb 0.00 -4.90 -0.10 0.00 1.34 0.00 0.00 72.50 68.84 1ro3 s THR 18 CO 0.00 -1.73 1.41 -0.51 -0.54 0.00 0.00 174.62 173.26 1ro3 s ILE 19 N 4.21 2.65 0.00 2.99 2.07 -1.19 1.90 121.20 133.82 1ro3 s ILE 19 Ca 0.37 0.57 0.00 0.00 -1.41 0.00 0.00 60.65 60.18 1ro3 s ILE 19 Cb -0.05 -3.36 0.00 0.00 0.13 0.00 0.00 42.46 39.18 1ro3 s ILE 19 CO -0.04 0.10 0.37 0.00 -1.91 0.00 0.00 174.94 173.46 1ro3 s LYS 21 N -0.75 0.21 -0.34 0.00 1.02 -1.23 -2.63 119.74 116.03 1ro3 s LYS 21 Ca 0.00 0.18 -0.02 0.00 0.02 0.00 0.00 55.97 56.15 1ro3 s LYS 21 Cb 0.00 -0.94 -0.02 0.00 -0.52 0.00 0.00 37.83 36.34 1ro3 s LYS 21 CO 0.00 -0.39 1.43 -2.13 -0.92 0.00 0.00 175.35 173.34 1ro3 n ARG 22 N 5.23 0.81 -0.35 1.68 3.00 -0.91 -4.36 116.66 121.77 1ro3 n ARG 22 Ca -0.05 -0.82 -0.06 0.00 -0.00 0.00 0.00 57.85 56.91 1ro3 n ARG 22 Cb 0.50 -2.13 -0.04 0.00 0.00 0.00 0.00 32.46 30.79 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 4.50 -0.38 -0.38 5.13 0.00 -1.26 0.49 120.51 128.61 1ro3 n ALA 23 Ca 0.17 0.77 0.29 0.00 0.00 0.00 0.00 53.44 54.67 1ro3 n ALA 23 Cb 0.07 -0.22 0.44 0.00 0.00 0.00 0.00 19.45 19.75 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 -5.13 0.00 0.15 0.00 1.74 -1.26 -3.44 116.66 108.72 1ro3 n ARG 24 Ca 0.04 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 1ro3 n ARG 24 Cb 0.27 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.50 -0.61 3.64 -0.13 0.00 0.60 -4.90 105.19 102.29 1ro3 n GLY 25 Ca 0.24 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.29 -0.41 0.43 1.61 2.15 1.82 -5.01 116.67 112.99 1ro3 s ASP 26 Ca 0.00 0.65 -0.16 0.00 0.43 0.00 0.00 52.55 53.47 1ro3 s ASP 26 Cb 0.00 1.17 -0.13 0.00 -0.30 0.00 0.00 42.92 43.66 1ro3 s ASP 26 CO 0.00 -0.10 -0.10 -0.90 -0.17 0.00 0.00 175.17 173.90 1ro3 n ASP 27 N 3.59 -3.17 0.00 -0.34 5.75 -1.23 -2.14 116.55 119.02 1ro3 n ASP 27 Ca -0.18 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1ro3 n ASP 27 Cb 0.57 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 1.31 0.00 0.00 0.11 2.81 -1.18 -4.07 117.12 116.10 1ro3 n MET 28 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1ro3 n MET 28 Cb 0.41 -0.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 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 -1.87 0.38 -3.18 7.83 8.00 0.95 -4.94 116.55 123.72 1ro3 n ASP 29 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 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 1.51 -0.39 0.00 0.00 177.20 178.32 1ro3 s ASP 30 N 1.12 -1.18 -0.22 -2.24 1.47 0.41 -2.02 116.67 114.00 1ro3 s ASP 30 Ca 0.00 0.59 -0.08 0.00 1.18 0.00 0.00 52.55 54.24 1ro3 s ASP 30 Cb 0.00 1.97 -0.04 0.00 -0.34 0.00 0.00 42.92 44.51 1ro3 s ASP 30 CO 0.00 -0.28 0.09 -0.47 0.68 0.00 0.00 175.17 175.19 1ro3 s TYR 31 N 2.80 3.19 0.29 2.11 5.04 27.23 -4.40 117.35 153.61 1ro3 s TYR 31 Ca 0.17 -0.07 -0.16 0.00 -2.44 0.00 0.00 57.07 54.57 1ro3 s TYR 31 Cb -0.14 -2.18 -0.12 0.00 0.35 0.00 0.00 41.96 39.87 1ro3 s TYR 31 CO -0.22 -0.06 0.09 0.00 -1.34 0.00 0.00 175.55 174.01 1ro3 n ASN 33 N 1.71 1.85 -1.30 0.00 0.23 -1.19 -4.74 115.26 111.81 1ro3 n ASN 33 Ca 0.09 -2.97 -0.12 0.00 -0.53 0.00 0.00 54.58 51.05 1ro3 n ASN 33 Cb 0.29 -0.42 -0.05 0.00 -2.08 0.00 0.00 39.78 37.52 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 -0.42 1.17 1.82 4.83 0.00 -1.26 -4.50 105.19 106.83 1ro3 n GLY 34 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.71 0.00 -3.52 1.61 5.02 -1.26 -4.95 118.16 113.34 1ro3 n LYS 35 Ca -0.12 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.04 1ro3 n LYS 35 Cb 0.42 -0.09 -0.04 0.00 -0.02 0.00 0.00 35.03 35.30 1ro3 n LYS 35 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ro3 s THR 36 N -2.00 0.03 -0.94 -0.18 -4.23 -1.26 -4.21 115.64 102.85 1ro3 s THR 36 Ca 0.00 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1ro3 s THR 36 Cb 0.00 -1.04 0.28 0.00 1.34 0.00 0.00 72.50 73.08 1ro3 s THR 36 CO 0.00 -0.12 1.20 0.00 -0.54 0.00 0.00 174.62 175.16 1ro3 n ASP 38 N 1.31 0.00 -1.32 0.00 -0.08 -1.26 -2.50 116.55 112.70 1ro3 n ASP 38 Ca 0.27 -2.98 -0.07 0.00 -1.51 0.00 0.00 54.79 50.50 1ro3 n ASP 38 Cb 0.36 -0.20 0.02 0.00 2.34 0.00 0.00 41.12 43.64 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 -1.74 1.67 -2.67 0.00 -0.04 -1.19 -2.98 135.00 128.05 1ro3 n PRO 40 Ca -0.00 -0.89 -0.05 0.00 -0.04 0.00 0.00 63.50 62.52 1ro3 n PRO 40 Cb 0.52 -1.97 0.07 0.00 -0.04 0.00 0.00 33.50 32.08 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 2.79 0.19 -2.68 0.54 0.63 -1.23 -3.87 116.66 113.03 1ro3 n ARG 41 Ca 0.36 -0.80 -0.08 0.00 -0.92 0.00 0.00 57.85 56.42 1ro3 n ARG 41 Cb 0.63 -0.34 0.04 0.00 0.45 0.00 0.00 32.46 33.24 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 1.56 1.03 -2.57 6.15 2.04 -1.25 1.07 115.26 123.30 1ro3 n ASN 42 Ca 0.02 -2.60 -0.17 0.00 -0.44 0.00 0.00 54.58 51.39 1ro3 n ASN 42 Cb 0.70 -0.33 -0.09 0.00 -2.53 0.00 0.00 39.78 37.53 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 -0.20 2.01 0.00 -0.53 -0.04 -1.25 0.18 135.00 135.16 1ro3 n PRO 43 Ca 0.07 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1ro3 n PRO 43 Cb 0.82 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 3.15 0.00 0.00 0.54 -0.00 -1.26 -4.91 115.22 112.75 1ro3 n HIS 44 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 1ro3 n HIS 44 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 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 -3.66 118.16 117.59 1ro3 n LYS 45 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1ro3 n LYS 45 Cb 0.00 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 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 -0.91 0.00 0.72 0.00 -1.26 -4.96 105.19 98.01 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 -0.05 0.00 1.61 -0.04 -0.92 -5.01 135.00 130.59 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 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.24 0.55 0.00 0.47 -3.94 120.51 114.35 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