#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x22 s LYS 2 N 0.00 1.58 0.91 1.61 1.02 -1.26 -5.11 119.74 118.49 1x22 s LYS 2 Ca 0.00 -1.94 -0.12 0.00 0.02 0.00 0.00 55.97 53.93 1x22 s LYS 2 Cb 0.00 -3.26 0.09 0.00 -0.52 0.00 0.00 37.83 34.15 1x22 s LYS 2 CO 0.00 -0.97 0.86 0.44 -0.92 0.00 0.00 175.35 174.77 1x22 n ILE 3 N 4.18 0.31 -0.79 2.17 -6.64 -1.26 -4.67 119.36 112.66 1x22 n ILE 3 Ca 0.04 -0.11 -0.37 0.00 -1.77 0.00 0.00 62.75 60.53 1x22 n ILE 3 Cb 0.41 -0.88 -0.07 0.00 -1.44 0.00 0.00 39.64 37.66 1x22 n ILE 3 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 1x22 n PRO 4 N -3.09 0.00 0.08 6.28 -0.02 -1.26 -4.80 135.00 132.20 1x22 n PRO 4 Ca 0.10 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.49 1x22 n PRO 4 Cb 0.52 -0.93 -0.00 0.00 -0.02 0.00 0.00 33.50 33.07 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 4.23 1.48 0.00 -1.45 2.07 -1.99 -1.11 116.25 119.49 1x22 h VAL 5 Ca -0.08 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.86 1x22 h VAL 5 Cb 0.87 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1x22 h VAL 5 CO 0.67 0.75 0.00 0.11 0.02 0.00 0.00 177.57 179.12 1x22 h LYS 6 N 0.12 0.00 0.08 1.57 1.57 -1.99 -0.55 116.57 117.36 1x22 h LYS 6 Ca -0.04 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.45 1x22 h LYS 6 Cb 1.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.78 1x22 h LYS 6 CO 0.13 0.00 -1.54 0.00 -0.57 0.00 0.00 179.45 177.47 1x22 h ALA 7 N 2.13 0.30 0.00 3.86 0.00 -1.85 -3.03 119.26 120.66 1x22 h ALA 7 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 54.91 53.67 1x22 h ALA 7 Cb 0.45 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x22 h ALA 7 CO 0.00 0.94 -0.05 0.97 0.00 0.00 0.00 179.25 181.10 1x22 h ILE 8 N -0.44 0.27 0.20 0.00 2.10 -0.99 0.17 117.51 118.83 1x22 h ILE 8 Ca -0.36 -0.37 -0.01 0.00 1.08 0.00 0.00 64.86 65.20 1x22 h ILE 8 Cb 1.68 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 38.70 1x22 h ILE 8 CO -0.03 0.05 -0.10 0.11 -1.08 0.00 0.00 178.15 177.11 1x22 h LYS 9 N 0.00 -0.26 -0.14 2.19 1.57 -1.21 -0.36 116.57 118.36 1x22 h LYS 9 Ca -0.00 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1x22 h LYS 9 Cb 0.28 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1x22 h LYS 9 CO 0.01 -0.17 0.10 1.57 -0.57 0.00 0.00 179.45 180.39 1x22 h LYS 10 N -1.07 0.03 -0.07 3.15 2.10 -1.39 -1.55 116.57 117.77 1x22 h LYS 10 Ca -0.03 -0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.54 1x22 h LYS 10 Cb 0.21 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1x22 h LYS 10 CO 0.05 0.02 -0.27 0.00 -2.00 0.00 0.00 179.45 177.25 1x22 h ALA 11 N 1.93 0.13 0.00 0.07 0.00 -0.72 -2.78 119.26 117.89 1x22 h ALA 11 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1x22 h ALA 11 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1x22 h ALA 11 CO -0.00 0.14 0.00 0.78 0.00 0.00 0.00 179.25 180.17 1x22 h GLY 12 N -0.18 0.00 0.02 0.00 0.00 -0.09 0.43 103.07 103.25 1x22 h GLY 12 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1x22 h GLY 12 CO 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.59 1x22 h ALA 13 N 2.00 -0.01 -0.11 3.60 0.00 -1.11 -1.72 119.26 121.92 1x22 h ALA 13 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1x22 h ALA 13 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x22 h ALA 13 CO 0.00 -0.02 -0.56 0.00 0.00 0.00 0.00 179.25 178.67 1x22 h ALA 14 N -0.32 0.21 0.00 0.00 0.00 -1.22 -2.81 119.26 115.13 1x22 h ALA 14 Ca -0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1x22 h ALA 14 Cb 0.66 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1x22 h ALA 14 CO 0.00 0.44 -0.32 0.82 0.00 0.00 0.00 179.25 180.19 1x22 h ILE 15 N 0.19 1.07 -0.23 0.00 5.03 -0.34 -0.83 117.51 122.40 1x22 h ILE 15 Ca -0.04 -1.15 -0.06 0.00 -0.12 0.00 0.00 64.86 63.49 1x22 h ILE 15 Cb 1.20 1.65 -0.01 0.00 -3.03 0.00 0.00 36.82 36.64 1x22 h ILE 15 CO 0.12 0.31 -0.09 1.23 -0.68 0.00 0.00 178.15 179.04 1x22 h GLY 16 N 1.20 0.51 2.00 5.37 0.00 -1.23 -2.41 103.07 108.51 1x22 h GLY 16 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1x22 h GLY 16 CO 0.04 0.40 0.00 0.07 0.00 0.00 0.00 176.54 177.06 1x22 h LYS 17 N 0.20 0.00 -0.06 4.80 5.09 -1.34 -2.80 116.57 122.46 1x22 h LYS 17 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.59 1x22 h LYS 17 Cb 0.57 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.90 1x22 h LYS 17 CO 0.03 0.00 -0.82 0.78 -2.09 0.00 0.00 179.45 177.35 1x22 h GLY 18 N 3.87 0.53 0.77 0.07 0.00 -0.94 0.79 103.07 108.15 1x22 h GLY 18 Ca 0.00 -0.81 -0.21 0.00 0.00 0.00 0.00 47.33 46.31 1x22 h GLY 18 CO 0.00 0.72 -0.93 1.41 0.00 0.00 0.00 176.54 177.74 1x22 h LEU 19 N 0.31 0.52 -0.53 3.11 3.38 -1.43 -1.50 115.31 119.17 1x22 h LEU 19 Ca -0.05 -0.95 -0.13 0.00 0.09 0.00 0.00 57.88 56.84 1x22 h LEU 19 Cb 1.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1x22 h LEU 19 CO 0.15 1.45 -0.19 -0.09 0.09 0.00 0.00 178.44 179.84 1x22 h ARG 20 N -0.29 0.98 -0.26 1.13 1.12 -1.58 -1.58 114.38 113.90 1x22 h ARG 20 Ca -0.16 -0.41 -0.17 0.00 -1.11 0.00 0.00 59.98 58.13 1x22 h ARG 20 Cb 1.73 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 31.64 1x22 h ARG 20 CO 0.17 1.08 -0.53 0.00 -3.11 0.00 0.00 179.97 177.58 1x22 h ALA 21 N 0.91 0.58 -0.09 2.80 0.00 -0.94 -2.73 119.26 119.79 1x22 h ALA 21 Ca 0.12 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1x22 h ALA 21 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1x22 h ALA 21 CO 0.06 0.68 -0.20 0.82 0.00 0.00 0.00 179.25 180.61 1x22 h ILE 22 N 0.58 1.19 0.45 0.00 5.03 -1.13 0.23 117.51 123.86 1x22 h ILE 22 Ca 0.02 -0.89 -0.02 0.00 -0.12 0.00 0.00 64.86 63.85 1x22 h ILE 22 Cb 1.11 1.35 0.00 0.00 -3.03 0.00 0.00 36.82 36.25 1x22 h ILE 22 CO 0.11 0.27 -0.21 -1.13 -0.68 0.00 0.00 178.15 176.50 1x22 h ASN 23 N 0.14 -0.51 -0.15 1.72 -0.73 -1.11 0.44 115.58 115.39 1x22 h ASN 23 Ca 0.03 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.25 1x22 h ASN 23 Cb 0.44 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 1x22 h ASN 23 CO 0.03 -0.24 0.11 -0.29 -0.37 0.00 0.00 177.43 176.67 1x22 h ILE 24 N -0.85 0.93 -0.16 2.57 2.10 -1.46 -1.15 117.51 119.49 1x22 h ILE 24 Ca -0.06 -0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.69 1x22 h ILE 24 Cb 0.46 0.92 0.01 0.00 -1.09 0.00 0.00 36.82 37.12 1x22 h ILE 24 CO 0.10 0.00 -0.64 0.00 -1.08 0.00 0.00 178.15 176.54 1x22 h ALA 25 N 1.93 0.29 0.00 0.18 0.00 -0.48 0.12 119.26 121.30 1x22 h ALA 25 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1x22 h ALA 25 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x22 h ALA 25 CO -0.00 0.56 0.00 1.03 0.00 0.00 0.00 179.25 180.84 1x22 h SER 26 N 0.40 0.00 0.09 0.00 0.87 0.11 -1.78 113.55 113.24 1x22 h SER 26 Ca -0.04 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.17 1x22 h SER 26 Cb 1.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1x22 h SER 26 CO 0.13 0.00 -2.01 0.35 -0.53 0.00 0.00 176.83 174.77 1x22 n THR 27 N -3.03 1.70 -0.31 2.23 -2.24 -0.85 -4.04 114.28 107.74 1x22 n THR 27 Ca -0.02 -0.57 0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1x22 n THR 27 Cb 0.10 -1.72 0.14 0.00 -2.10 0.00 0.00 70.33 66.75 1x22 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x22 h ALA 28 N -0.03 1.17 -0.88 6.98 0.00 0.04 -0.82 119.26 125.71 1x22 h ALA 28 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1x22 h ALA 28 Cb 1.92 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1x22 h ALA 28 CO 0.01 0.26 0.57 1.12 0.00 0.00 0.00 179.25 181.21 1x22 h HIS 29 N 0.95 1.13 -0.05 0.00 2.07 -1.54 0.41 115.15 118.12 1x22 h HIS 29 Ca 0.37 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.90 1x22 h HIS 29 Cb 0.18 -0.38 -0.00 0.00 2.57 0.00 0.00 27.41 29.78 1x22 h HIS 29 CO -0.04 0.72 0.00 -0.44 -3.07 0.00 0.00 177.93 175.11 1x22 h ASP 30 N 1.20 0.09 0.77 3.10 3.32 -1.47 -1.61 116.42 121.83 1x22 h ASP 30 Ca 0.32 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1x22 h ASP 30 Cb -0.11 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.42 1x22 h ASP 30 CO -0.07 0.37 -0.37 0.58 -1.72 0.00 0.00 179.24 178.03 1x22 h VAL 31 N -0.19 0.06 -0.53 -1.35 2.07 -0.93 -2.25 116.25 113.13 1x22 h VAL 31 Ca 0.01 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.48 1x22 h VAL 31 Cb 0.32 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1x22 h VAL 31 CO 0.00 0.01 0.68 0.22 0.02 0.00 0.00 177.57 178.50 1x22 h TYR 32 N -1.24 0.00 0.42 1.57 3.20 -0.26 0.12 116.97 120.78 1x22 h TYR 32 Ca -0.11 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 1x22 h TYR 32 Cb 0.81 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1x22 h TYR 32 CO -0.00 0.00 -0.20 1.03 -1.64 0.00 0.00 178.16 177.35 1x22 h SER 33 N 0.00 -0.48 0.00 -2.11 0.87 -0.68 -2.91 113.55 108.24 1x22 h SER 33 Ca 0.25 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1x22 h SER 33 Cb 1.62 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 1x22 h SER 33 CO -0.00 -0.30 0.00 0.49 -0.53 0.00 0.00 176.83 176.49 1x22 n PHE 34 N -3.73 0.00 0.42 2.24 3.01 -0.45 -3.75 117.46 115.20 1x22 n PHE 34 Ca -0.07 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.21 1x22 n PHE 34 Cb 0.22 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.60 1x22 n PHE 34 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1x22 h PHE 35 N 0.00 -0.98 -0.34 1.38 3.57 -0.61 -3.28 116.94 116.68 1x22 h PHE 35 Ca 0.00 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1x22 h PHE 35 Cb 0.00 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1x22 h PHE 35 CO 0.00 -0.60 -0.17 1.63 -2.23 0.00 0.00 178.31 176.94 1x22 n LYS 36 N -5.51 -0.12 -0.23 1.11 4.01 -1.25 0.26 118.16 116.43 1x22 n LYS 36 Ca -0.14 0.52 0.31 0.00 -0.51 0.00 0.00 58.31 58.49 1x22 n LYS 36 Cb 0.43 -0.76 0.60 0.00 -0.51 0.00 0.00 35.03 34.78 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1x22 h PRO 37 N 0.00 0.00 0.00 1.97 0.11 -1.85 -3.25 132.00 128.98 1x22 h PRO 37 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1x22 h PRO 37 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1x22 h PRO 37 CO -0.33 0.00 -0.10 1.63 -0.21 0.00 0.00 178.00 179.00 1x22 n LYS 38 N -3.54 0.00 0.00 1.05 4.01 0.74 -5.04 118.16 115.38 1x22 n LYS 38 Ca 0.23 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 1x22 n LYS 38 Cb 1.38 -0.34 0.00 0.00 -0.51 0.00 0.00 35.03 35.56 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1x22 n HIS 39 N -3.40 0.00 -3.33 2.13 8.25 0.22 -3.01 115.22 116.07 1x22 n HIS 39 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1x22 n HIS 39 Cb 0.05 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 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 0.89 -0.04 -0.41 1.02 -1.26 -5.04 119.74 114.89 1x22 s LYS 40 Ca 0.00 -1.91 -0.14 0.00 0.02 0.00 0.00 55.97 53.93 1x22 s LYS 40 Cb 0.00 -1.25 0.03 0.00 -0.52 0.00 0.00 37.83 36.09 1x22 s LYS 40 CO 0.00 -1.37 0.32 0.15 -0.92 0.00 0.00 175.35 173.54 1x22 s LYS 41 N 0.25 0.60 0.00 1.68 3.01 -1.16 -5.26 119.74 118.86 1x22 s LYS 41 Ca 0.31 -0.01 0.00 0.00 -1.01 0.00 0.00 55.97 55.26 1x22 s LYS 41 Cb 0.01 0.27 0.00 0.00 -1.01 0.00 0.00 37.83 37.10 1x22 s LYS 41 CO -0.16 -0.15 0.00 1.17 0.51 0.00 0.00 175.35 176.72