#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 -5.07 0.47 0.00 0.00 0.28 -1.26 -5.03 120.64 110.03 1ro3 n GLU 3 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1ro3 n GLU 3 Cb 0.81 -0.63 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1ro3 n SER 4 N -1.39 0.00 -4.76 -1.84 2.88 -1.22 -5.14 113.62 102.16 1ro3 n SER 4 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1ro3 n SER 4 Cb 0.13 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.54 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 3.07 0.73 0.46 0.00 -1.26 -3.75 107.32 106.57 1ro3 s GLY 5 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 1ro3 s GLY 5 CO 0.00 1.24 1.07 2.56 0.00 0.00 0.00 173.10 177.97 1ro3 s PRO 6 N -1.35 2.62 -0.07 2.90 0.04 -1.22 -2.53 135.00 135.37 1ro3 s PRO 6 Ca 0.43 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 1ro3 s PRO 6 Cb -0.27 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ro3 s PRO 6 CO 0.33 -1.30 0.06 0.00 0.04 0.00 0.00 177.00 176.14 1ro3 n ARG 9 N -0.32 0.00 -2.29 0.00 1.85 -1.23 0.23 116.66 114.89 1ro3 n ARG 9 Ca -0.12 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.55 1ro3 n ARG 9 Cb 0.58 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 32.02 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 -0.76 3.96 -1.98 2.89 2.04 -1.26 -2.55 115.26 117.60 1ro3 n ASN 10 Ca 0.00 -3.29 -0.01 0.00 -0.44 0.00 0.00 54.58 50.84 1ro3 n ASN 10 Cb 0.00 -0.39 0.00 0.00 -2.53 0.00 0.00 39.78 36.86 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ro3 n LYS 12 N -1.06 0.00 -1.59 0.00 5.02 -1.26 -5.07 118.16 114.19 1ro3 n LYS 12 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1ro3 n LYS 12 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 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 -4.36 0.00 2.13 7.35 -1.26 -4.88 117.46 116.45 1ro3 n PHE 13 Ca 0.00 2.31 0.00 0.00 -0.76 0.00 0.00 57.45 59.00 1ro3 n PHE 13 Cb 0.00 -3.50 0.00 0.00 0.35 0.00 0.00 39.48 36.33 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 -0.69 0.35 -2.67 -2.13 -0.00 -1.26 -4.87 117.00 105.73 1ro3 n LEU 14 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1ro3 n LEU 14 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1ro3 n LEU 14 CO 0.00 0.00 0.49 2.29 -0.00 0.00 0.00 177.39 180.17 1ro3 n LYS 15 N -0.48 0.12 0.00 1.96 2.85 -1.26 -5.09 118.16 116.27 1ro3 n LYS 15 Ca 0.00 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.45 1ro3 n LYS 15 Cb 0.00 0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 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 2.42 0.00 0.00 -1.58 1.02 -1.26 -4.43 120.64 116.80 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 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 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 1.05 0.27 3.51 0.62 0.00 -1.26 -5.06 105.19 104.32 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 -1.30 0.00 0.00 0.00 173.32 172.02 1ro3 n THR 18 N 0.00 1.57 -1.71 2.61 -2.24 -1.26 -4.83 114.28 108.41 1ro3 n THR 18 Ca 0.00 -1.59 -0.43 0.00 -2.27 0.00 0.00 64.05 59.76 1ro3 n THR 18 Cb 0.00 -2.16 -0.02 0.00 -2.10 0.00 0.00 70.33 66.05 1ro3 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ro3 n ILE 19 N 7.72 0.86 0.00 2.28 3.06 -1.16 0.66 119.36 132.79 1ro3 n ILE 19 Ca 0.45 -0.22 0.00 0.00 -2.50 0.00 0.00 62.75 60.49 1ro3 n ILE 19 Cb 0.46 -1.78 0.00 0.00 0.54 0.00 0.00 39.64 38.85 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 0.00 1.20 -0.16 0.00 1.02 -1.26 -2.35 119.74 118.19 1ro3 s LYS 21 Ca 0.00 -0.22 -0.15 0.00 0.02 0.00 0.00 55.97 55.62 1ro3 s LYS 21 Cb 0.00 -1.55 -0.17 0.00 -0.52 0.00 0.00 37.83 35.60 1ro3 s LYS 21 CO 0.00 -0.34 1.42 -2.13 -0.92 0.00 0.00 175.35 173.39 1ro3 n ARG 22 N 4.99 0.34 -0.25 1.68 3.00 0.49 -4.51 116.66 122.40 1ro3 n ARG 22 Ca -0.11 -0.91 -0.05 0.00 -0.00 0.00 0.00 57.85 56.78 1ro3 n ARG 22 Cb 0.49 -2.32 -0.00 0.00 0.00 0.00 0.00 32.46 30.63 1ro3 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ro3 h ALA 23 N 8.61 -0.09 -1.35 5.13 0.00 0.17 32.98 119.26 164.71 1ro3 h ALA 23 Ca 0.19 0.17 0.39 0.00 0.00 0.00 0.00 54.91 55.66 1ro3 h ALA 23 Cb 0.35 0.90 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1ro3 h ALA 23 CO 1.54 -0.72 1.11 0.54 0.00 0.00 0.00 179.25 181.73 1ro3 n ARG 24 N -5.43 0.00 0.00 0.00 1.74 -1.26 -3.12 116.66 108.59 1ro3 n ARG 24 Ca 0.05 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 1ro3 n ARG 24 Cb 0.36 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 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 -1.68 -0.01 0.00 -0.13 0.00 0.35 -4.86 105.19 98.87 1ro3 n GLY 25 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1ro3 n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ro3 n ASP 26 N -1.83 0.00 -3.61 1.61 8.00 9.74 -5.01 116.55 125.45 1ro3 n ASP 26 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1ro3 n ASP 26 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1ro3 n ASP 26 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1ro3 s ASP 27 N 2.00 -0.59 0.00 -2.24 -4.77 -1.20 0.18 116.67 110.05 1ro3 s ASP 27 Ca 0.00 0.87 0.00 0.00 -3.30 0.00 0.00 52.55 50.12 1ro3 s ASP 27 Cb 0.00 0.83 0.00 0.00 -1.09 0.00 0.00 42.92 42.66 1ro3 s ASP 27 CO 0.00 -0.42 0.00 0.23 0.70 0.00 0.00 175.17 175.68 1ro3 n MET 28 N 1.75 0.00 0.00 2.11 2.81 -1.11 -4.26 117.12 118.42 1ro3 n MET 28 Ca -0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1ro3 n MET 28 Cb 0.56 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.07 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 -0.17 0.69 -3.56 7.83 9.92 1.23 -4.93 116.55 127.56 1ro3 n ASP 29 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1ro3 n ASP 29 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 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 1.20 0.29 0.29 -2.24 1.01 0.25 -1.33 116.67 116.14 1ro3 s ASP 30 Ca 0.00 0.51 0.11 0.00 0.71 0.00 0.00 52.55 53.88 1ro3 s ASP 30 Cb 0.00 0.94 -0.05 0.00 1.01 0.00 0.00 42.92 44.82 1ro3 s ASP 30 CO 0.00 -0.26 -0.14 -0.72 0.21 0.00 0.00 175.17 174.26 1ro3 s TYR 31 N 2.49 2.39 -0.48 4.23 1.13 3.05 -3.92 117.35 126.24 1ro3 s TYR 31 Ca 0.04 -0.35 -0.28 0.00 -1.41 0.00 0.00 57.07 55.07 1ro3 s TYR 31 Cb -0.13 -1.12 0.00 0.00 -1.10 0.00 0.00 41.96 39.61 1ro3 s TYR 31 CO -0.12 0.67 1.51 0.00 -2.51 0.00 0.00 175.55 175.09 1ro3 n ASN 33 N 9.68 2.13 0.00 0.00 0.23 -1.16 -4.64 115.26 121.50 1ro3 n ASN 33 Ca 0.16 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 1ro3 n ASN 33 Cb 0.49 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 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 1.05 0.65 1.56 4.83 0.00 -1.26 -4.86 105.19 107.16 1ro3 n GLY 34 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.64 0.00 -3.15 1.61 0.00 -1.26 -4.92 118.16 107.80 1ro3 n LYS 35 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 1ro3 n LYS 35 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 35.03 34.80 1ro3 n LYS 35 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1ro3 n THR 36 N -2.89 0.00 -3.09 3.15 5.66 -1.25 -3.80 114.28 112.06 1ro3 n THR 36 Ca 0.00 -1.01 -0.22 0.00 -3.05 0.00 0.00 64.05 59.77 1ro3 n THR 36 Cb 0.18 0.75 -0.04 0.00 -1.55 0.00 0.00 70.33 69.67 1ro3 n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ro3 n ASP 38 N 0.11 1.74 0.00 0.00 4.64 -1.26 -1.17 116.55 120.61 1ro3 n ASP 38 Ca 0.27 -2.91 0.00 0.00 -1.38 0.00 0.00 54.79 50.77 1ro3 n ASP 38 Cb 0.54 -0.54 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ro3 n PRO 40 N -1.33 2.60 -2.66 0.00 -0.04 -1.16 -1.93 135.00 130.49 1ro3 n PRO 40 Ca 0.00 -1.90 -0.03 0.00 -0.04 0.00 0.00 63.50 61.53 1ro3 n PRO 40 Cb 0.28 -2.74 0.04 0.00 -0.04 0.00 0.00 33.50 31.04 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 4.68 0.12 -2.88 0.54 0.63 -1.26 -2.97 116.66 115.52 1ro3 n ARG 41 Ca 0.57 -0.65 -0.19 0.00 -0.92 0.00 0.00 57.85 56.65 1ro3 n ARG 41 Cb 0.24 -0.06 -0.01 0.00 0.45 0.00 0.00 32.46 33.08 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 -0.04 2.44 -2.02 6.15 2.04 -1.25 0.12 115.26 122.71 1ro3 n ASN 42 Ca -0.18 -3.20 -0.07 0.00 -0.44 0.00 0.00 54.58 50.69 1ro3 n ASN 42 Cb 0.70 -0.56 -0.10 0.00 -2.53 0.00 0.00 39.78 37.29 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 -0.05 1.33 0.00 -0.53 -0.04 -1.26 -0.68 135.00 133.77 1ro3 n PRO 43 Ca 0.24 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 1ro3 n PRO 43 Cb 0.64 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 2.41 0.00 0.00 0.54 -0.00 -1.26 -4.92 115.22 111.99 1ro3 n HIS 44 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 1ro3 n HIS 44 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.61 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 -0.84 -0.41 5.02 -1.26 -3.84 118.16 116.82 1ro3 n LYS 45 Ca 0.00 0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 1ro3 n LYS 45 Cb 0.00 -0.10 -0.02 0.00 -0.02 0.00 0.00 35.03 34.90 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 -0.64 0.75 0.00 0.72 0.00 -1.26 -4.94 105.19 99.81 1ro3 n GLY 46 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.10 2.54 0.00 1.61 -0.04 -1.13 -5.07 135.00 133.01 1ro3 n PRO 47 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1ro3 n PRO 47 Cb 0.73 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.19 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 -0.72 0.55 0.00 0.14 -4.65 120.51 112.83 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