#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 3.52 -3.47 1.61 4.01 -1.26 -4.95 118.16 117.62 1x22 n LYS 2 Ca 0.00 -4.18 -0.42 0.00 -0.51 0.00 0.00 58.31 53.20 1x22 n LYS 2 Cb 0.00 -2.77 -0.04 0.00 -0.51 0.00 0.00 35.03 31.71 1x22 n LYS 2 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1x22 s ILE 3 N -0.11 5.01 -0.55 -0.18 -0.00 -1.26 -4.96 121.20 119.15 1x22 s ILE 3 Ca 0.36 -2.95 -0.05 0.00 -0.00 0.00 0.00 60.65 58.02 1x22 s ILE 3 Cb -0.06 -4.11 -0.09 0.00 -0.00 0.00 0.00 42.46 38.20 1x22 s ILE 3 CO -0.03 -1.02 2.15 -0.81 -0.00 0.00 0.00 174.94 175.22 1x22 n PRO 4 N 3.41 1.69 0.15 0.37 -0.04 -1.26 -4.45 135.00 134.86 1x22 n PRO 4 Ca 0.15 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1x22 n PRO 4 Cb 0.42 -2.18 0.27 0.00 -0.04 0.00 0.00 33.50 31.97 1x22 n PRO 4 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1x22 h VAL 5 N 3.06 1.33 0.00 0.52 2.07 -2.00 -1.43 116.25 119.79 1x22 h VAL 5 Ca 0.34 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1x22 h VAL 5 Cb 0.42 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1x22 h VAL 5 CO 1.01 0.45 0.00 0.29 0.02 0.00 0.00 177.57 179.35 1x22 n LYS 6 N -4.00 0.06 -0.10 1.57 4.76 -1.26 -1.82 118.16 117.37 1x22 n LYS 6 Ca -0.02 0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.30 1x22 n LYS 6 Cb 0.48 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.06 1x22 n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x22 h ALA 7 N 2.90 0.21 0.00 7.82 0.00 -1.63 -2.85 119.26 125.71 1x22 h ALA 7 Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 1x22 h ALA 7 Cb 0.39 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1x22 h ALA 7 CO 0.00 0.57 -0.30 0.97 0.00 0.00 0.00 179.25 180.48 1x22 h ILE 8 N -1.00 1.19 -0.00 0.00 -0.00 -1.47 -2.58 117.51 113.64 1x22 h ILE 8 Ca -0.27 -1.05 -0.00 0.00 -0.00 0.00 0.00 64.86 63.53 1x22 h ILE 8 Cb 1.21 1.57 -0.00 0.00 -0.00 0.00 0.00 36.82 39.60 1x22 h ILE 8 CO -0.16 0.30 -0.00 0.50 -0.00 0.00 0.00 178.15 178.78 1x22 h LYS 9 N 0.00 0.01 -0.93 2.19 3.64 -1.50 -2.90 116.57 117.08 1x22 h LYS 9 Ca -0.00 -0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.60 1x22 h LYS 9 Cb 0.55 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1x22 h LYS 9 CO 0.04 0.52 0.62 -0.22 -2.27 0.00 0.00 179.45 178.14 1x22 h LYS 10 N -0.50 0.30 0.29 1.90 1.63 -1.27 0.36 116.57 119.27 1x22 h LYS 10 Ca 0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1x22 h LYS 10 Cb 0.52 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1x22 h LYS 10 CO 0.00 0.20 -0.14 0.00 -3.45 0.00 0.00 179.45 176.06 1x22 h ALA 11 N 1.60 -0.39 0.00 5.00 0.00 -1.28 -0.44 119.26 123.75 1x22 h ALA 11 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1x22 h ALA 11 Cb 1.36 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1x22 h ALA 11 CO -0.15 -0.68 0.31 0.78 0.00 0.00 0.00 179.25 179.50 1x22 h GLY 12 N -0.46 0.00 0.24 0.00 0.00 -0.76 -0.95 103.07 101.14 1x22 h GLY 12 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1x22 h GLY 12 CO 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.51 1x22 h ALA 13 N 1.38 -0.27 -0.70 3.60 0.00 -0.63 -2.86 119.26 119.78 1x22 h ALA 13 Ca 0.00 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.97 1x22 h ALA 13 Cb 0.61 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1x22 h ALA 13 CO 0.00 -0.27 0.49 0.00 0.00 0.00 0.00 179.25 179.46 1x22 h ALA 14 N -0.89 2.41 -0.35 0.00 0.00 -0.49 0.73 119.26 120.68 1x22 h ALA 14 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1x22 h ALA 14 Cb 0.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1x22 h ALA 14 CO 0.05 -0.61 0.15 0.82 0.00 0.00 0.00 179.25 179.66 1x22 h ILE 15 N 0.17 1.18 -0.70 0.00 1.08 -1.26 0.13 117.51 118.11 1x22 h ILE 15 Ca 0.34 -0.52 0.04 0.00 -0.39 0.00 0.00 64.86 64.32 1x22 h ILE 15 Cb 1.10 0.88 -0.05 0.00 -3.07 0.00 0.00 36.82 35.68 1x22 h ILE 15 CO -0.06 0.19 0.42 1.23 -0.69 0.00 0.00 178.15 179.25 1x22 h GLY 16 N 0.42 1.01 1.97 5.37 0.00 -0.62 -1.40 103.07 109.82 1x22 h GLY 16 Ca 0.12 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1x22 h GLY 16 CO -0.01 0.25 -0.54 0.50 0.00 0.00 0.00 176.54 176.73 1x22 h LYS 17 N 0.82 0.04 0.33 4.80 6.56 -1.21 -2.89 116.57 125.01 1x22 h LYS 17 Ca 0.29 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.85 1x22 h LYS 17 Cb 0.07 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1x22 h LYS 17 CO -0.13 0.57 -0.25 0.78 -2.06 0.00 0.00 179.45 178.37 1x22 h GLY 18 N 1.60 -0.60 0.92 3.86 0.00 0.36 0.13 103.07 109.34 1x22 h GLY 18 Ca -0.00 0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.62 1x22 h GLY 18 CO 0.07 -0.24 0.42 1.41 0.00 0.00 0.00 176.54 178.21 1x22 h LEU 19 N -0.57 0.71 -1.08 3.11 3.38 -1.46 -1.81 115.31 117.59 1x22 h LEU 19 Ca -0.03 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1x22 h LEU 19 Cb 0.50 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1x22 h LEU 19 CO -0.00 0.50 0.62 -0.09 0.09 0.00 0.00 178.44 179.56 1x22 h ARG 20 N 0.84 1.12 -0.53 1.13 2.43 -1.26 -2.08 114.38 116.03 1x22 h ARG 20 Ca 0.26 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1x22 h ARG 20 Cb -0.03 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 1x22 h ARG 20 CO -0.08 0.74 0.26 0.00 -1.51 0.00 0.00 179.97 179.38 1x22 h ALA 21 N 1.46 0.68 -0.14 2.80 0.00 0.09 -2.27 119.26 121.88 1x22 h ALA 21 Ca 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1x22 h ALA 21 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1x22 h ALA 21 CO -0.13 0.23 0.05 0.82 0.00 0.00 0.00 179.25 180.21 1x22 h ILE 22 N 0.71 1.07 0.29 0.00 1.08 -0.91 0.19 117.51 119.94 1x22 h ILE 22 Ca 0.18 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1x22 h ILE 22 Cb 0.10 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1x22 h ILE 22 CO -0.02 0.08 -0.14 0.78 -0.69 0.00 0.00 178.15 178.15 1x22 h ASN 23 N 0.20 -0.33 -0.19 1.72 4.21 -0.99 0.39 115.58 120.59 1x22 h ASN 23 Ca 0.05 0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.63 1x22 h ASN 23 Cb 0.06 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1x22 h ASN 23 CO -0.00 -0.14 0.22 0.16 -1.29 0.00 0.00 177.43 176.37 1x22 h ILE 24 N -0.58 0.44 0.13 2.81 -0.00 -1.37 0.11 117.51 119.04 1x22 h ILE 24 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 64.86 64.53 1x22 h ILE 24 Cb 0.30 0.82 0.02 0.00 -0.00 0.00 0.00 36.82 37.97 1x22 h ILE 24 CO 0.07 0.00 -1.25 0.00 -0.00 0.00 0.00 178.15 176.97 1x22 h ALA 25 N 1.74 0.03 0.00 0.16 0.00 -0.54 -2.55 119.26 118.10 1x22 h ALA 25 Ca 0.09 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1x22 h ALA 25 Cb 0.52 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x22 h ALA 25 CO -0.00 0.75 0.00 1.03 0.00 0.00 0.00 179.25 181.02 1x22 h SER 26 N 0.23 0.00 0.00 0.00 0.87 0.25 -0.38 113.55 114.51 1x22 h SER 26 Ca -0.18 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.25 1x22 h SER 26 Cb 1.92 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.86 1x22 h SER 26 CO 0.23 0.00 -0.77 0.71 -0.53 0.00 0.00 176.83 176.47 1x22 h THR 27 N 0.00 0.94 -0.28 2.23 1.35 -1.31 -3.09 112.91 112.75 1x22 h THR 27 Ca 0.00 -1.98 0.03 0.00 -0.55 0.00 0.00 66.41 63.91 1x22 h THR 27 Cb 0.03 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 1x22 h THR 27 CO 0.00 0.32 0.11 0.00 -0.25 0.00 0.00 175.52 175.69 1x22 h ALA 28 N -0.48 0.32 -0.62 6.62 0.00 -1.03 -0.73 119.26 123.35 1x22 h ALA 28 Ca -0.19 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1x22 h ALA 28 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1x22 h ALA 28 CO -0.12 -0.30 0.26 1.12 0.00 0.00 0.00 179.25 180.22 1x22 h HIS 29 N 0.24 0.89 -0.75 0.00 2.07 -1.27 -0.07 115.15 116.26 1x22 h HIS 29 Ca 0.12 -0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 57.56 1x22 h HIS 29 Cb 0.08 -0.28 -0.03 0.00 2.57 0.00 0.00 27.41 29.75 1x22 h HIS 29 CO -0.12 0.68 0.33 0.22 -3.07 0.00 0.00 177.93 175.96 1x22 h ASP 30 N 0.88 1.00 0.06 3.10 3.58 -1.28 0.01 116.42 123.78 1x22 h ASP 30 Ca 0.21 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1x22 h ASP 30 Cb 0.15 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1x22 h ASP 30 CO -0.02 0.88 -0.03 0.58 -2.88 0.00 0.00 179.24 177.77 1x22 h VAL 31 N 1.06 1.21 0.00 2.25 2.07 -0.60 -2.51 116.25 119.73 1x22 h VAL 31 Ca 0.25 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1x22 h VAL 31 Cb 0.17 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1x22 h VAL 31 CO -0.03 0.25 0.02 1.88 0.02 0.00 0.00 177.57 179.71 1x22 h TYR 32 N -0.54 0.00 0.19 1.57 -1.99 -0.92 0.47 116.97 115.75 1x22 h TYR 32 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1x22 h TYR 32 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1x22 h TYR 32 CO 0.07 0.00 -0.09 1.03 -0.00 0.00 0.00 178.16 179.17 1x22 h SER 33 N 0.00 -0.21 0.76 3.88 0.87 -0.57 -3.29 113.55 114.99 1x22 h SER 33 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x22 h SER 33 Cb 0.04 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1x22 h SER 33 CO 0.00 0.03 0.00 0.33 -0.53 0.00 0.00 176.83 176.66 1x22 n PHE 34 N -3.68 0.12 0.00 2.24 7.35 -1.01 -4.16 117.46 118.32 1x22 n PHE 34 Ca -0.03 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1x22 n PHE 34 Cb 0.10 -0.57 0.00 0.00 0.35 0.00 0.00 39.48 39.36 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 -1.60 0.00 0.00 -5.13 3.01 0.16 -4.21 117.46 109.69 1x22 n PHE 35 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1x22 n PHE 35 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1x22 n PHE 35 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1x22 n LYS 36 N -0.28 0.00 -1.46 -1.08 5.02 -1.25 -3.74 118.16 115.36 1x22 n LYS 36 Ca 0.00 0.00 -0.48 0.00 -2.02 0.00 0.00 58.31 55.81 1x22 n LYS 36 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1x22 n LYS 36 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1x22 n PRO 37 N 0.00 0.92 0.00 1.97 -0.04 -1.26 -2.94 135.00 133.65 1x22 n PRO 37 Ca 0.00 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1x22 n PRO 37 Cb 0.00 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1x22 n PRO 37 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x22 n LYS 38 N 8.32 0.00 -0.86 0.54 5.02 -1.26 -4.92 118.16 125.00 1x22 n LYS 38 Ca 0.44 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.46 1x22 n LYS 38 Cb 0.24 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.30 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1x22 n HIS 39 N 0.00 -1.39 -3.90 2.13 8.25 -1.15 -5.04 115.22 114.12 1x22 n HIS 39 Ca 0.00 0.55 -0.09 0.00 -0.26 0.00 0.00 57.72 57.92 1x22 n HIS 39 Cb 0.00 -1.40 -0.02 0.00 1.12 0.00 0.00 29.99 29.69 1x22 n HIS 39 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1x22 n LYS 40 N 1.46 0.40 -0.00 -0.41 2.85 -1.26 -4.68 118.16 116.52 1x22 n LYS 40 Ca -0.01 -1.71 -0.00 0.00 -1.05 0.00 0.00 58.31 55.54 1x22 n LYS 40 Cb 0.53 1.62 -0.00 0.00 -0.65 0.00 0.00 35.03 36.52 1x22 n LYS 40 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1x22 n LYS 41 N -0.35 0.01 -0.02 -1.58 5.02 -1.26 -4.92 118.16 115.05 1x22 n LYS 41 Ca 0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1x22 n LYS 41 Cb 0.35 -0.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1x22 n LYS 41 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05