#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 0.67 -0.16 1.61 1.02 -1.26 -5.03 119.74 116.59 1x22 s LYS 2 Ca 0.00 -0.28 -0.23 0.00 0.02 0.00 0.00 55.97 55.48 1x22 s LYS 2 Cb 0.00 -0.20 -0.23 0.00 -0.52 0.00 0.00 37.83 36.88 1x22 s LYS 2 CO 0.00 -1.15 0.50 0.82 -0.92 0.00 0.00 175.35 174.60 1x22 h ILE 3 N 5.34 1.28 -0.74 2.17 1.08 -2.08 -3.38 117.51 121.17 1x22 h ILE 3 Ca 0.02 -2.29 -0.53 0.00 -0.39 0.00 0.00 64.86 61.67 1x22 h ILE 3 Cb 1.13 2.77 -0.11 0.00 -3.07 0.00 0.00 36.82 37.54 1x22 h ILE 3 CO 0.16 0.50 1.28 -0.81 -0.69 0.00 0.00 178.15 178.60 1x22 n PRO 4 N -4.40 3.13 0.08 2.37 -0.04 -1.26 -4.53 135.00 130.36 1x22 n PRO 4 Ca -0.22 -2.38 -0.10 0.00 -0.04 0.00 0.00 63.50 60.76 1x22 n PRO 4 Cb 0.65 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.72 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 2.31 1.52 0.00 0.52 2.07 -2.00 -2.86 116.25 117.80 1x22 h VAL 5 Ca 0.51 -2.79 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1x22 h VAL 5 Cb 0.70 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1x22 h VAL 5 CO 1.04 0.81 0.00 0.11 0.02 0.00 0.00 177.57 179.56 1x22 h LYS 6 N 0.10 0.00 0.00 1.57 6.56 -1.95 0.22 116.57 123.07 1x22 h LYS 6 Ca -0.06 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.38 1x22 h LYS 6 Cb 1.64 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.28 1x22 h LYS 6 CO 0.15 0.00 -0.83 0.00 -2.06 0.00 0.00 179.45 176.71 1x22 h ALA 7 N 2.15 0.17 0.00 3.86 0.00 -1.89 -2.83 119.26 120.72 1x22 h ALA 7 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 54.91 53.94 1x22 h ALA 7 Cb 0.27 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1x22 h ALA 7 CO 0.00 0.48 -0.16 0.97 0.00 0.00 0.00 179.25 180.54 1x22 h ILE 8 N -1.00 0.66 -0.01 0.00 2.10 -1.28 -2.38 117.51 115.60 1x22 h ILE 8 Ca -0.22 -0.69 -0.15 0.00 1.08 0.00 0.00 64.86 64.89 1x22 h ILE 8 Cb 1.13 1.43 0.01 0.00 -1.09 0.00 0.00 36.82 38.30 1x22 h ILE 8 CO -0.13 0.16 -0.56 0.50 -1.08 0.00 0.00 178.15 177.03 1x22 h LYS 9 N 0.00 0.41 -0.90 2.19 3.64 -0.70 -2.82 116.57 118.38 1x22 h LYS 9 Ca -0.00 -0.42 0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1x22 h LYS 9 Cb 0.42 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1x22 h LYS 9 CO 0.02 1.08 0.59 -0.22 -2.27 0.00 0.00 179.45 178.65 1x22 h LYS 10 N -0.10 1.03 0.14 1.90 3.64 -1.20 -1.69 116.57 120.29 1x22 h LYS 10 Ca -0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1x22 h LYS 10 Cb 1.27 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1x22 h LYS 10 CO 0.11 0.68 -0.07 0.00 -2.27 0.00 0.00 179.45 177.90 1x22 h ALA 11 N 1.50 -0.19 0.00 5.00 0.00 -1.46 -1.78 119.26 122.32 1x22 h ALA 11 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x22 h ALA 11 Cb 0.13 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1x22 h ALA 11 CO -0.13 -0.49 0.05 0.78 0.00 0.00 0.00 179.25 179.46 1x22 h GLY 12 N -0.43 0.00 1.06 0.00 0.00 -1.19 -0.23 103.07 102.28 1x22 h GLY 12 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.00 1x22 h GLY 12 CO 0.03 0.00 -1.40 0.00 0.00 0.00 0.00 176.54 175.17 1x22 h ALA 13 N 1.87 -0.09 -0.32 3.60 0.00 -0.47 -2.94 119.26 120.92 1x22 h ALA 13 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 54.91 53.86 1x22 h ALA 13 Cb 0.10 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x22 h ALA 13 CO 0.00 0.69 -0.44 0.00 0.00 0.00 0.00 179.25 179.50 1x22 h ALA 14 N 0.12 0.62 -0.15 0.00 0.00 -0.52 -2.10 119.26 117.22 1x22 h ALA 14 Ca -0.25 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1x22 h ALA 14 Cb 2.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1x22 h ALA 14 CO 0.23 0.68 0.08 0.82 0.00 0.00 0.00 179.25 181.05 1x22 h ILE 15 N 0.65 1.11 -0.43 0.00 2.04 -1.43 0.32 117.51 119.77 1x22 h ILE 15 Ca 0.04 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1x22 h ILE 15 Cb 1.02 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1x22 h ILE 15 CO 0.10 0.10 0.27 1.23 0.00 0.00 0.00 178.15 179.85 1x22 h GLY 16 N 0.13 0.62 1.81 5.37 0.00 -1.50 -2.22 103.07 107.28 1x22 h GLY 16 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1x22 h GLY 16 CO -0.01 0.25 -0.30 0.07 0.00 0.00 0.00 176.54 176.55 1x22 h LYS 17 N 0.58 0.23 -0.27 4.80 2.10 -1.21 -2.99 116.57 119.80 1x22 h LYS 17 Ca 0.16 -0.08 0.05 0.00 -2.00 0.00 0.00 60.65 58.77 1x22 h LYS 17 Cb -0.02 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.25 1x22 h LYS 17 CO -0.03 0.51 -0.02 0.78 -2.00 0.00 0.00 179.45 178.69 1x22 h GLY 18 N 1.03 0.24 0.87 0.07 0.00 0.27 0.48 103.07 106.04 1x22 h GLY 18 Ca 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1x22 h GLY 18 CO 0.05 -0.07 0.07 1.41 0.00 0.00 0.00 176.54 177.99 1x22 h LEU 19 N 0.05 0.31 0.02 3.11 3.38 -1.41 0.25 115.31 121.02 1x22 h LEU 19 Ca 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x22 h LEU 19 Cb 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x22 h LEU 19 CO -0.23 0.43 -0.01 0.03 0.09 0.00 0.00 178.44 178.74 1x22 h ARG 20 N 0.17 -0.03 -0.28 1.13 3.08 -1.34 0.44 114.38 117.54 1x22 h ARG 20 Ca 0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1x22 h ARG 20 Cb 0.23 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1x22 h ARG 20 CO -0.00 0.04 0.05 0.00 -1.07 0.00 0.00 179.97 178.99 1x22 h ALA 21 N 0.88 1.56 0.00 0.04 0.00 -0.01 -1.82 119.26 119.91 1x22 h ALA 21 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1x22 h ALA 21 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1x22 h ALA 21 CO 0.01 0.33 -0.85 0.82 0.00 0.00 0.00 179.25 179.55 1x22 h ILE 22 N 0.41 1.36 0.58 0.00 1.08 -0.59 -2.28 117.51 118.07 1x22 h ILE 22 Ca 0.10 -2.94 -0.03 0.00 -0.39 0.00 0.00 64.86 61.60 1x22 h ILE 22 Cb 0.19 2.67 0.01 0.00 -3.07 0.00 0.00 36.82 36.61 1x22 h ILE 22 CO -0.00 0.77 -0.28 -1.13 -0.69 0.00 0.00 178.15 176.82 1x22 h ASN 23 N 0.00 -0.66 -0.29 1.72 -1.24 0.50 0.43 115.58 116.04 1x22 h ASN 23 Ca -0.02 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1x22 h ASN 23 Cb 1.63 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 40.84 1x22 h ASN 23 CO 0.10 -0.26 0.11 -0.29 -1.29 0.00 0.00 177.43 175.80 1x22 h ILE 24 N -1.20 1.16 0.01 2.57 6.09 -1.49 -1.93 117.51 122.71 1x22 h ILE 24 Ca -0.08 -0.54 -0.00 0.00 -1.37 0.00 0.00 64.86 62.87 1x22 h ILE 24 Cb 0.60 0.77 0.00 0.00 0.47 0.00 0.00 36.82 38.66 1x22 h ILE 24 CO 0.13 0.20 -0.00 0.00 -3.07 0.00 0.00 178.15 175.41 1x22 h ALA 25 N 1.61 -0.01 0.00 0.18 0.00 -1.42 0.41 119.26 120.02 1x22 h ALA 25 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1x22 h ALA 25 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x22 h ALA 25 CO -0.01 -0.24 0.16 0.77 0.00 0.00 0.00 179.25 179.94 1x22 h SER 26 N -0.55 0.00 0.00 0.00 0.02 0.11 0.26 113.55 113.39 1x22 h SER 26 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1x22 h SER 26 Cb 0.54 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1x22 h SER 26 CO 0.00 0.00 -1.29 0.41 -1.14 0.00 0.00 176.83 174.81 1x22 n THR 27 N -2.83 1.52 -0.27 -2.27 -1.04 -0.75 -3.53 114.28 105.11 1x22 n THR 27 Ca -0.02 -0.03 0.01 0.00 -2.04 0.00 0.00 64.05 61.97 1x22 n THR 27 Cb 0.22 -2.08 0.14 0.00 -1.82 0.00 0.00 70.33 66.78 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 -0.64 1.07 0.12 2.41 0.00 0.66 0.42 119.26 123.30 1x22 h ALA 28 Ca -0.33 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1x22 h ALA 28 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1x22 h ALA 28 CO -0.20 0.09 -0.19 1.25 0.00 0.00 0.00 179.25 180.19 1x22 h HIS 29 N 0.76 -0.50 -0.78 0.00 -0.00 -0.71 0.23 115.15 114.15 1x22 h HIS 29 Ca 0.36 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.71 1x22 h HIS 29 Cb 0.29 0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.87 1x22 h HIS 29 CO -0.07 -0.28 0.38 -0.44 -0.00 0.00 0.00 177.93 177.52 1x22 h ASP 30 N -0.38 1.00 0.00 3.26 3.32 -1.43 -2.71 116.42 119.49 1x22 h ASP 30 Ca 0.02 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1x22 h ASP 30 Cb 0.39 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1x22 h ASP 30 CO -0.10 0.84 0.00 0.52 -1.72 0.00 0.00 179.24 178.79 1x22 n VAL 31 N -4.32 0.00 -0.24 -1.35 0.31 0.14 -2.90 118.33 109.97 1x22 n VAL 31 Ca 0.08 0.62 0.21 0.00 -0.01 0.00 0.00 64.34 65.24 1x22 n VAL 31 Cb 0.13 -1.31 0.35 0.00 -0.91 0.00 0.00 33.84 32.11 1x22 n VAL 31 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1x22 n TYR 32 N -0.40 0.37 0.07 3.52 4.02 0.75 0.12 117.16 125.61 1x22 n TYR 32 Ca 0.00 0.37 -0.05 0.00 -0.01 0.00 0.00 57.90 58.21 1x22 n TYR 32 Cb 0.00 -0.75 -0.03 0.00 -0.02 0.00 0.00 39.34 38.54 1x22 n TYR 32 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1x22 h SER 33 N 0.00 -0.44 -0.29 7.72 0.87 -1.49 -2.01 113.55 117.92 1x22 h SER 33 Ca 0.46 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1x22 h SER 33 Cb 1.47 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 1x22 h SER 33 CO -0.24 -0.19 0.00 0.33 -0.53 0.00 0.00 176.83 176.19 1x22 n PHE 34 N -3.28 0.98 -1.30 2.24 7.35 0.32 -3.80 117.46 119.97 1x22 n PHE 34 Ca -0.03 -0.34 0.04 0.00 -0.76 0.00 0.00 57.45 56.36 1x22 n PHE 34 Cb 0.14 -0.28 0.20 0.00 0.35 0.00 0.00 39.48 39.88 1x22 n PHE 34 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1x22 n PHE 35 N 0.32 0.53 -0.13 -5.13 7.35 0.16 -4.67 117.46 115.89 1x22 n PHE 35 Ca 0.13 -1.28 -0.27 0.00 -0.76 0.00 0.00 57.45 55.27 1x22 n PHE 35 Cb 0.68 -0.31 -0.10 0.00 0.35 0.00 0.00 39.48 40.10 1x22 n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1x22 n LYS 36 N -1.08 0.58 -1.96 -4.13 5.02 -1.14 -4.19 118.16 111.26 1x22 n LYS 36 Ca 0.23 0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 1x22 n LYS 36 Cb 0.83 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 34.26 1x22 n LYS 36 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1x22 s PRO 37 N -2.49 3.10 0.00 1.97 0.02 -1.26 -4.01 135.00 132.33 1x22 s PRO 37 Ca -0.36 1.29 0.00 0.00 0.02 0.00 0.00 61.00 61.94 1x22 s PRO 37 Cb 0.13 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 30.38 1x22 s PRO 37 CO 0.51 -2.14 0.00 1.17 -0.33 0.00 0.00 177.00 176.21 1x22 n LYS 38 N 8.63 0.00 -0.81 5.54 3.00 -1.26 -4.94 118.16 128.33 1x22 n LYS 38 Ca 0.24 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.26 1x22 n LYS 38 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.54 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 0.00 -4.08 0.00 5.64 8.25 -1.26 -4.98 115.22 118.79 1x22 n HIS 39 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1x22 n HIS 39 Cb 0.00 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 29.96 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 1.95 0.00 0.00 -0.41 -0.00 -1.26 -4.69 118.16 113.75 1x22 n LYS 40 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1x22 n LYS 40 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.47 1x22 n LYS 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1x22 n LYS 41 N 0.00 0.00 0.00 -1.58 0.00 -1.26 -5.22 118.16 110.10 1x22 n LYS 41 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.44 1x22 n LYS 41 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 35.03 35.38 1x22 n LYS 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03