#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x22 n LYS 2 N 0.00 0.09 -0.21 1.61 3.00 -1.26 -4.85 118.16 116.54 1x22 n LYS 2 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1x22 n LYS 2 Cb 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 35.03 34.48 1x22 n LYS 2 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1x22 h ILE 3 N 0.00 0.88 -0.09 3.15 2.04 -2.06 -3.41 117.51 118.02 1x22 h ILE 3 Ca 0.00 -0.19 -0.31 0.00 1.00 0.00 0.00 64.86 65.36 1x22 h ILE 3 Cb 0.30 0.29 -0.09 0.00 -0.74 0.00 0.00 36.82 36.58 1x22 h ILE 3 CO 0.00 0.10 1.65 -2.65 0.00 0.00 0.00 178.15 177.24 1x22 n PRO 4 N -4.89 0.12 -0.30 2.37 -0.02 -1.26 -4.74 135.00 126.29 1x22 n PRO 4 Ca 0.08 -0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.37 1x22 n PRO 4 Cb 0.21 -1.57 0.08 0.00 -0.02 0.00 0.00 33.50 32.20 1x22 n PRO 4 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1x22 h VAL 5 N 7.22 1.19 -0.07 -1.45 2.07 -1.99 0.31 116.25 123.54 1x22 h VAL 5 Ca 0.02 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1x22 h VAL 5 Cb 1.12 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1x22 h VAL 5 CO 1.49 0.20 0.16 0.11 0.02 0.00 0.00 177.57 179.54 1x22 h LYS 6 N 1.09 0.00 0.13 1.57 6.56 -1.96 0.37 116.57 124.33 1x22 h LYS 6 Ca 0.31 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.56 1x22 h LYS 6 Cb -0.10 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.56 1x22 h LYS 6 CO -0.08 0.00 -1.76 0.00 -2.06 0.00 0.00 179.45 175.56 1x22 h ALA 7 N 1.75 0.32 0.00 3.86 0.00 -0.89 -3.02 119.26 121.28 1x22 h ALA 7 Ca 0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 54.91 53.66 1x22 h ALA 7 Cb 0.34 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1x22 h ALA 7 CO -0.00 1.19 -0.20 0.97 0.00 0.00 0.00 179.25 181.21 1x22 h ILE 8 N 0.08 0.88 0.12 0.00 2.10 0.21 0.19 117.51 121.08 1x22 h ILE 8 Ca -0.33 -0.77 -0.01 0.00 1.08 0.00 0.00 64.86 64.83 1x22 h ILE 8 Cb 2.05 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 39.24 1x22 h ILE 8 CO 0.14 0.20 -0.06 0.50 -1.08 0.00 0.00 178.15 177.85 1x22 h LYS 9 N 0.00 -0.15 -0.75 2.19 3.64 -0.53 0.33 116.57 121.29 1x22 h LYS 9 Ca -0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1x22 h LYS 9 Cb 0.44 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1x22 h LYS 9 CO 0.03 0.33 0.50 0.87 -2.27 0.00 0.00 179.45 178.91 1x22 h LYS 10 N -0.85 1.00 -0.23 1.90 1.79 -1.38 -0.78 116.57 118.01 1x22 h LYS 10 Ca -0.02 -0.06 -0.18 0.00 -2.18 0.00 0.00 60.65 58.22 1x22 h LYS 10 Cb 0.55 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1x22 h LYS 10 CO 0.03 0.66 -0.54 0.00 -1.08 0.00 0.00 179.45 178.52 1x22 h ALA 11 N 1.52 0.38 0.00 3.86 0.00 -0.67 -2.54 119.26 121.81 1x22 h ALA 11 Ca 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1x22 h ALA 11 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1x22 h ALA 11 CO -0.06 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1x22 n GLY 12 N 0.46 -0.89 0.07 0.00 0.00 0.11 -0.49 105.19 104.46 1x22 n GLY 12 Ca -0.06 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1x22 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x22 h ALA 13 N 2.26 0.05 -0.34 4.61 0.00 -0.75 -2.37 119.26 122.72 1x22 h ALA 13 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1x22 h ALA 13 Cb 0.17 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1x22 h ALA 13 CO 0.00 0.20 -0.45 0.00 0.00 0.00 0.00 179.25 179.00 1x22 h ALA 14 N -0.51 0.55 -0.54 0.00 0.00 -1.32 -2.71 119.26 114.73 1x22 h ALA 14 Ca -0.07 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1x22 h ALA 14 Cb 0.71 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1x22 h ALA 14 CO -0.04 0.68 -0.10 0.82 0.00 0.00 0.00 179.25 180.60 1x22 h ILE 15 N 0.71 1.27 -0.35 0.00 1.08 -0.96 -2.78 117.51 116.47 1x22 h ILE 15 Ca 0.04 -1.26 -0.02 0.00 -0.39 0.00 0.00 64.86 63.23 1x22 h ILE 15 Cb 1.04 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 1x22 h ILE 15 CO 0.10 0.44 0.12 1.23 -0.69 0.00 0.00 178.15 179.36 1x22 h GLY 16 N 0.94 0.53 0.93 5.37 0.00 -1.35 -2.50 103.07 107.00 1x22 h GLY 16 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 1x22 h GLY 16 CO 0.05 0.24 0.00 1.70 0.00 0.00 0.00 176.54 178.53 1x22 h LYS 17 N 0.50 0.65 -0.74 4.80 3.11 -1.22 -2.57 116.57 121.10 1x22 h LYS 17 Ca 0.12 -0.21 0.05 0.00 -2.81 0.00 0.00 60.65 57.81 1x22 h LYS 17 Cb 0.14 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.26 1x22 h LYS 17 CO -0.01 0.76 0.45 0.78 -2.81 0.00 0.00 179.45 178.61 1x22 h GLY 18 N 0.47 1.09 0.99 5.01 0.00 -1.24 -1.54 103.07 107.85 1x22 h GLY 18 Ca 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1x22 h GLY 18 CO 0.02 0.23 0.28 1.41 0.00 0.00 0.00 176.54 178.48 1x22 h LEU 19 N 0.83 0.75 -1.84 3.11 3.38 -1.38 -2.04 115.31 118.12 1x22 h LEU 19 Ca 0.32 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1x22 h LEU 19 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1x22 h LEU 19 CO -0.16 0.67 -0.12 -0.09 0.09 0.00 0.00 178.44 178.83 1x22 h ARG 20 N 0.78 0.00 -0.33 1.13 9.65 -1.00 -1.53 114.38 123.09 1x22 h ARG 20 Ca 0.20 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.98 1x22 h ARG 20 Cb 0.11 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1x22 h ARG 20 CO -0.03 0.12 -0.17 0.00 2.80 0.00 0.00 179.97 182.69 1x22 h ALA 21 N 1.88 0.46 -0.23 2.80 0.00 -0.57 -2.80 119.26 120.80 1x22 h ALA 21 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1x22 h ALA 21 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x22 h ALA 21 CO 0.02 0.38 -0.34 0.82 0.00 0.00 0.00 179.25 180.13 1x22 h ILE 22 N 0.47 1.32 0.13 0.00 5.03 -1.15 -2.62 117.51 120.69 1x22 h ILE 22 Ca 0.07 -1.54 0.00 0.00 -0.12 0.00 0.00 64.86 63.27 1x22 h ILE 22 Cb 0.71 1.75 -0.02 0.00 -3.03 0.00 0.00 36.82 36.23 1x22 h ILE 22 CO 0.05 0.48 -0.24 -1.13 -0.68 0.00 0.00 178.15 176.63 1x22 h ASN 23 N 0.34 -0.70 -0.83 1.72 -0.73 -1.31 0.41 115.58 114.49 1x22 h ASN 23 Ca 0.02 0.07 0.19 0.00 1.87 0.00 0.00 56.30 58.45 1x22 h ASN 23 Cb 0.92 0.25 -0.05 0.00 0.27 0.00 0.00 38.32 39.71 1x22 h ASN 23 CO 0.08 -0.28 0.56 -0.29 -0.37 0.00 0.00 177.43 177.13 1x22 h ILE 24 N -0.40 0.69 -0.12 2.57 2.10 -1.60 -0.55 117.51 120.21 1x22 h ILE 24 Ca -0.01 -0.11 -0.03 0.00 1.08 0.00 0.00 64.86 65.79 1x22 h ILE 24 Cb 0.37 0.36 -0.00 0.00 -1.09 0.00 0.00 36.82 36.46 1x22 h ILE 24 CO -0.09 0.06 -0.03 0.00 -1.08 0.00 0.00 178.15 177.01 1x22 h ALA 25 N 1.62 0.17 0.00 0.18 0.00 -0.91 -0.53 119.26 119.79 1x22 h ALA 25 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x22 h ALA 25 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x22 h ALA 25 CO -0.12 -0.10 0.00 0.45 0.00 0.00 0.00 179.25 179.48 1x22 n SER 26 N -4.74 0.53 -0.04 0.00 2.88 0.14 -1.86 113.62 110.52 1x22 n SER 26 Ca -0.06 0.73 -0.22 0.00 -1.33 0.00 0.00 58.87 57.99 1x22 n SER 26 Cb 0.24 -0.80 -0.13 0.00 -0.75 0.00 0.00 64.21 62.77 1x22 n SER 26 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1x22 n THR 27 N -2.19 1.69 -0.12 2.46 -1.04 -0.79 -3.95 114.28 110.33 1x22 n THR 27 Ca -0.01 -0.45 0.20 0.00 -2.04 0.00 0.00 64.05 61.75 1x22 n THR 27 Cb 0.06 -1.83 0.60 0.00 -1.82 0.00 0.00 70.33 67.34 1x22 n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x22 h ALA 28 N -0.14 2.38 0.18 2.41 0.00 -0.37 0.42 119.26 124.14 1x22 h ALA 28 Ca -0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1x22 h ALA 28 Cb 1.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1x22 h ALA 28 CO -0.03 -0.59 -0.09 1.12 0.00 0.00 0.00 179.25 179.67 1x22 h HIS 29 N 0.21 -0.22 0.00 0.00 2.07 -1.69 0.38 115.15 115.89 1x22 h HIS 29 Ca 0.35 -0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.84 1x22 h HIS 29 Cb 1.09 0.07 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 1x22 h HIS 29 CO -0.00 0.16 -0.13 -0.44 -3.07 0.00 0.00 177.93 174.44 1x22 h ASP 30 N -0.67 0.00 0.38 3.10 3.32 -1.47 -1.79 116.42 119.29 1x22 h ASP 30 Ca -0.02 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.71 1x22 h ASP 30 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1x22 h ASP 30 CO 0.04 0.13 -1.56 0.58 -1.72 0.00 0.00 179.24 176.71 1x22 h VAL 31 N 0.00 1.14 0.00 -1.35 2.07 -0.87 -2.74 116.25 114.49 1x22 h VAL 31 Ca -0.00 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.78 1x22 h VAL 31 Cb 0.28 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1x22 h VAL 31 CO 0.02 0.83 0.00 1.88 0.02 0.00 0.00 177.57 180.32 1x22 h TYR 32 N 0.09 0.00 0.00 1.57 -1.99 0.15 0.44 116.97 117.22 1x22 h TYR 32 Ca -0.26 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.41 1x22 h TYR 32 Cb 2.05 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.77 1x22 h TYR 32 CO 0.08 0.00 -0.66 1.03 -0.00 0.00 0.00 178.16 178.61 1x22 h SER 33 N 0.00 0.00 0.74 3.88 0.87 -1.39 -3.37 113.55 114.28 1x22 h SER 33 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1x22 h SER 33 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1x22 h SER 33 CO 0.00 0.93 0.00 0.33 -0.53 0.00 0.00 176.83 177.56 1x22 n PHE 34 N -4.58 0.04 0.00 2.24 7.35 -1.04 -4.12 117.46 117.35 1x22 n PHE 34 Ca -0.13 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1x22 n PHE 34 Cb 0.36 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 39.66 1x22 n PHE 34 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1x22 n PHE 35 N -1.54 0.00 0.00 -5.13 3.72 0.15 -3.87 117.46 110.80 1x22 n PHE 35 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1x22 n PHE 35 Cb 0.25 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1x22 n PHE 35 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1x22 n LYS 36 N -1.34 0.00 -0.25 -1.08 4.01 -1.26 0.27 118.16 118.50 1x22 n LYS 36 Ca 0.00 0.00 0.31 0.00 -0.51 0.00 0.00 58.31 58.11 1x22 n LYS 36 Cb 0.00 0.00 0.72 0.00 -0.51 0.00 0.00 35.03 35.24 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1x22 h PRO 37 N 0.00 0.03 0.00 1.97 0.13 -1.94 -3.29 132.00 128.90 1x22 h PRO 37 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x22 h PRO 37 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1x22 h PRO 37 CO 0.00 0.02 0.00 1.17 -0.23 0.00 0.00 178.00 178.96 1x22 n LYS 38 N -4.25 0.00 0.00 0.86 3.00 0.75 -5.03 118.16 113.49 1x22 n LYS 38 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1x22 n LYS 38 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 36.07 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1x22 n HIS 39 N -0.10 -0.88 -2.59 5.64 8.25 -1.24 -4.57 115.22 119.74 1x22 n HIS 39 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1x22 n HIS 39 Cb 0.00 0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 1x22 n HIS 39 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1x22 s LYS 40 N 0.00 4.48 0.21 -0.41 1.02 -1.26 -4.95 119.74 118.84 1x22 s LYS 40 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.56 1x22 s LYS 40 Cb 0.00 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1x22 s LYS 40 CO 0.00 0.13 0.00 1.63 -0.92 0.00 0.00 175.35 176.19 1x22 n LYS 41 N 0.64 0.00 -0.91 1.68 5.02 -1.26 -5.17 118.16 118.17 1x22 n LYS 41 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1x22 n LYS 41 Cb 0.48 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 1x22 n LYS 41 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05