#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 3.89 -3.89 1.61 3.00 -1.26 -5.11 118.16 116.40 1x22 n LYS 2 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1x22 n LYS 2 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1x22 n LYS 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1x22 s ILE 3 N 1.31 2.05 -1.08 3.15 1.09 -1.26 -5.03 121.20 121.43 1x22 s ILE 3 Ca 0.00 -2.68 -0.17 0.00 -1.10 0.00 0.00 60.65 56.70 1x22 s ILE 3 Cb 0.00 -2.46 -0.07 0.00 -1.06 0.00 0.00 42.46 38.86 1x22 s ILE 3 CO 0.00 -0.75 2.12 -0.81 -0.10 0.00 0.00 174.94 175.40 1x22 n PRO 4 N 3.70 2.18 0.07 2.79 -0.04 -1.26 -4.59 135.00 137.84 1x22 n PRO 4 Ca 0.05 -2.09 -0.17 0.00 -0.04 0.00 0.00 63.50 61.25 1x22 n PRO 4 Cb 0.36 -2.99 -0.08 0.00 -0.04 0.00 0.00 33.50 30.76 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 4.10 1.36 0.00 0.52 2.07 -1.99 -2.69 116.25 119.62 1x22 h VAL 5 Ca 0.51 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1x22 h VAL 5 Cb 0.58 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1x22 h VAL 5 CO 1.87 0.73 0.00 0.11 0.02 0.00 0.00 177.57 180.30 1x22 h LYS 6 N 0.27 0.00 0.09 1.57 1.57 -2.00 0.12 116.57 118.19 1x22 h LYS 6 Ca -0.11 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.33 1x22 h LYS 6 Cb 1.68 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.97 1x22 h LYS 6 CO 0.19 0.00 -1.86 0.00 -0.57 0.00 0.00 179.45 177.21 1x22 h ALA 7 N 2.02 0.52 0.00 3.86 0.00 -1.89 -2.93 119.26 120.84 1x22 h ALA 7 Ca 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 54.91 53.44 1x22 h ALA 7 Cb 0.07 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1x22 h ALA 7 CO 0.00 1.37 -0.45 0.97 0.00 0.00 0.00 179.25 181.15 1x22 h ILE 8 N 0.05 1.13 0.00 0.00 2.10 -0.80 -1.85 117.51 118.13 1x22 h ILE 8 Ca -0.36 -1.63 -0.02 0.00 1.08 0.00 0.00 64.86 63.92 1x22 h ILE 8 Cb 2.03 1.93 0.00 0.00 -1.09 0.00 0.00 36.82 39.69 1x22 h ILE 8 CO 0.10 0.44 -0.08 0.50 -1.08 0.00 0.00 178.15 178.02 1x22 h LYS 9 N 0.00 0.05 -0.77 2.19 3.64 -0.96 -2.26 116.57 118.45 1x22 h LYS 9 Ca -0.00 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1x22 h LYS 9 Cb 0.90 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 1x22 h LYS 9 CO 0.06 0.84 0.50 -0.22 -2.27 0.00 0.00 179.45 178.37 1x22 h LYS 10 N -0.72 0.76 -0.24 1.90 3.64 -1.47 -1.16 116.57 119.28 1x22 h LYS 10 Ca -0.01 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1x22 h LYS 10 Cb 0.87 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1x22 h LYS 10 CO 0.02 0.50 -0.14 0.00 -2.27 0.00 0.00 179.45 177.56 1x22 h ALA 11 N 1.59 0.34 0.00 5.00 0.00 -1.37 -2.18 119.26 122.64 1x22 h ALA 11 Ca 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x22 h ALA 11 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x22 h ALA 11 CO -0.12 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1x22 n GLY 12 N 0.01 -0.82 0.06 0.00 0.00 -0.63 -1.48 105.19 102.33 1x22 n GLY 12 Ca -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 2.20 -0.02 0.27 4.61 0.00 -0.60 -0.75 119.26 124.97 1x22 h ALA 13 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1x22 h ALA 13 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x22 h ALA 13 CO 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 1x22 h ALA 14 N -0.66 -0.37 -0.27 0.00 0.00 -1.31 0.35 119.26 117.00 1x22 h ALA 14 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1x22 h ALA 14 Cb 0.34 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1x22 h ALA 14 CO 0.00 -0.55 -0.01 0.82 0.00 0.00 0.00 179.25 179.51 1x22 h ILE 15 N -0.67 1.17 -0.47 0.00 1.08 -1.45 -2.44 117.51 114.73 1x22 h ILE 15 Ca -0.04 -0.67 -0.08 0.00 -0.39 0.00 0.00 64.86 63.68 1x22 h ILE 15 Cb 0.47 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1x22 h ILE 15 CO 0.06 0.23 -0.01 1.23 -0.69 0.00 0.00 178.15 178.96 1x22 h GLY 16 N 0.73 0.91 1.10 5.37 0.00 -0.98 -2.45 103.07 107.75 1x22 h GLY 16 Ca 0.09 -0.68 0.04 0.00 0.00 0.00 0.00 47.33 46.78 1x22 h GLY 16 CO 0.01 0.62 0.51 1.70 0.00 0.00 0.00 176.54 179.39 1x22 h LYS 17 N 0.69 0.92 -0.28 4.80 3.11 -0.45 -1.52 116.57 123.84 1x22 h LYS 17 Ca 0.13 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1x22 h LYS 17 Cb 0.53 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1x22 h LYS 17 CO 0.03 0.61 0.05 0.78 -2.81 0.00 0.00 179.45 178.10 1x22 h GLY 18 N 0.95 0.50 1.42 5.01 0.00 -1.19 -2.69 103.07 107.06 1x22 h GLY 18 Ca 0.31 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1x22 h GLY 18 CO -0.09 0.31 0.38 1.41 0.00 0.00 0.00 176.54 178.54 1x22 h LEU 19 N 0.28 0.64 -0.70 3.11 3.38 -0.94 -1.69 115.31 119.39 1x22 h LEU 19 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1x22 h LEU 19 Cb 0.33 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1x22 h LEU 19 CO 0.00 0.46 0.46 -0.09 0.09 0.00 0.00 178.44 179.36 1x22 h ARG 20 N 0.75 0.89 -0.94 1.13 2.43 -0.99 -1.84 114.38 115.81 1x22 h ARG 20 Ca 0.21 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1x22 h ARG 20 Cb -0.05 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.24 1x22 h ARG 20 CO -0.05 0.59 0.61 0.00 -1.51 0.00 0.00 179.97 179.62 1x22 h ALA 21 N 1.27 1.23 -0.11 2.80 0.00 -1.01 -0.44 119.26 122.99 1x22 h ALA 21 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1x22 h ALA 21 Cb -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1x22 h ALA 21 CO -0.07 0.50 -0.07 0.82 0.00 0.00 0.00 179.25 180.43 1x22 h ILE 22 N 1.20 1.12 0.35 0.00 1.08 -1.08 -0.87 117.51 119.31 1x22 h ILE 22 Ca 0.37 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1x22 h ILE 22 Cb -0.02 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1x22 h ILE 22 CO -0.11 0.16 -0.17 0.78 -0.69 0.00 0.00 178.15 178.12 1x22 h ASN 23 N 0.16 -0.40 -1.09 1.72 2.35 -0.44 -1.14 115.58 116.75 1x22 h ASN 23 Ca 0.04 0.01 0.32 0.00 -0.55 0.00 0.00 56.30 56.12 1x22 h ASN 23 Cb 0.23 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1x22 h ASN 23 CO 0.01 -0.18 0.82 0.16 -1.65 0.00 0.00 177.43 176.60 1x22 h ILE 24 N -0.68 0.39 -0.35 2.81 3.07 -1.28 1.11 117.51 122.57 1x22 h ILE 24 Ca -0.05 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.25 1x22 h ILE 24 Cb 0.36 0.42 -0.01 0.00 -0.27 0.00 0.00 36.82 37.32 1x22 h ILE 24 CO 0.08 0.00 -0.23 0.00 -1.05 0.00 0.00 178.15 176.95 1x22 h ALA 25 N 1.38 0.51 0.00 0.16 0.00 -0.97 -1.85 119.26 118.48 1x22 h ALA 25 Ca 0.52 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1x22 h ALA 25 Cb 2.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1x22 h ALA 25 CO -0.01 0.48 0.07 1.03 0.00 0.00 0.00 179.25 180.83 1x22 h SER 26 N 0.57 0.00 0.26 0.00 0.87 0.26 0.98 113.55 116.48 1x22 h SER 26 Ca 0.07 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.29 1x22 h SER 26 Cb 0.79 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1x22 h SER 26 CO 0.06 0.00 -1.54 0.74 -0.53 0.00 0.00 176.83 175.56 1x22 h THR 27 N 0.00 1.21 -0.65 2.23 2.02 -0.89 -3.19 112.91 113.64 1x22 h THR 27 Ca 0.00 -2.67 0.14 0.00 0.77 0.00 0.00 66.41 64.64 1x22 h THR 27 Cb 0.15 2.98 -0.11 0.00 -1.74 0.00 0.00 68.15 69.43 1x22 h THR 27 CO 0.00 0.82 0.00 0.00 0.37 0.00 0.00 175.52 176.72 1x22 h ALA 28 N 0.16 0.64 -0.24 6.16 0.00 -0.44 0.43 119.26 125.98 1x22 h ALA 28 Ca -0.27 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1x22 h ALA 28 Cb 2.15 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 1x22 h ALA 28 CO 0.25 -0.40 -0.16 1.12 0.00 0.00 0.00 179.25 180.07 1x22 h HIS 29 N 0.12 0.43 -0.38 0.00 2.07 -1.65 -2.46 115.15 113.29 1x22 h HIS 29 Ca 0.34 -0.07 -0.11 0.00 -2.85 0.00 0.00 60.37 57.68 1x22 h HIS 29 Cb 0.56 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 1x22 h HIS 29 CO -0.38 0.55 -0.22 0.22 -3.07 0.00 0.00 177.93 175.04 1x22 h ASP 30 N 0.37 0.75 0.00 3.10 3.58 -0.32 -2.42 116.42 121.48 1x22 h ASP 30 Ca 0.07 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1x22 h ASP 30 Cb 0.50 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1x22 h ASP 30 CO 0.03 0.95 0.00 0.52 -2.88 0.00 0.00 179.24 177.86 1x22 n VAL 31 N -4.12 0.00 -0.63 2.25 0.31 0.83 -2.08 118.33 114.89 1x22 n VAL 31 Ca 0.00 1.02 0.49 0.00 -0.01 0.00 0.00 64.34 65.84 1x22 n VAL 31 Cb 0.42 -1.91 0.76 0.00 -0.91 0.00 0.00 33.84 32.21 1x22 n VAL 31 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x22 n TYR 32 N -1.49 0.20 0.26 3.52 4.11 -0.96 0.15 117.16 122.94 1x22 n TYR 32 Ca 0.00 0.20 -0.10 0.00 -0.00 0.00 0.00 57.90 58.00 1x22 n TYR 32 Cb 0.00 -0.67 -0.05 0.00 -0.00 0.00 0.00 39.34 38.62 1x22 n TYR 32 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 1x22 h SER 33 N 0.00 -0.55 -0.42 9.48 0.02 -1.31 -2.95 113.55 117.81 1x22 h SER 33 Ca 0.90 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.72 1x22 h SER 33 Cb 3.44 0.14 -0.09 0.00 0.14 0.00 0.00 62.40 66.03 1x22 h SER 33 CO -0.14 -0.39 0.20 0.49 -1.14 0.00 0.00 176.83 175.85 1x22 n PHE 34 N -3.79 1.36 -0.04 3.45 3.01 0.92 -4.28 117.46 118.08 1x22 n PHE 34 Ca -0.08 -0.85 -0.03 0.00 1.01 0.00 0.00 57.45 57.50 1x22 n PHE 34 Cb 0.26 -0.49 -0.01 0.00 -0.01 0.00 0.00 39.48 39.23 1x22 n PHE 34 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1x22 n PHE 35 N -0.07 0.55 -0.32 1.38 -0.00 0.12 -3.75 117.46 115.37 1x22 n PHE 35 Ca 0.24 0.24 0.21 0.00 -0.00 0.00 0.00 57.45 58.13 1x22 n PHE 35 Cb 0.95 -0.55 0.41 0.00 -0.00 0.00 0.00 39.48 40.28 1x22 n PHE 35 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1x22 h LYS 36 N -0.58 0.09 0.00 -4.13 1.57 -1.74 3.09 116.57 114.87 1x22 h LYS 36 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x22 h LYS 36 Cb 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1x22 h LYS 36 CO 0.00 0.06 0.00 -2.30 -0.57 0.00 0.00 179.45 176.64 1x22 n PRO 37 N -5.30 0.01 0.03 3.15 -0.02 -1.26 -4.33 135.00 127.28 1x22 n PRO 37 Ca 0.29 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1x22 n PRO 37 Cb 0.94 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1x22 n PRO 37 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1x22 n LYS 38 N -1.55 0.00 -0.09 -0.52 3.00 0.79 -5.14 118.16 114.65 1x22 n LYS 38 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.36 1x22 n LYS 38 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 35.03 35.12 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 -2.87 -1.55 -0.46 5.64 8.25 0.85 -4.10 115.22 120.99 1x22 n HIS 39 Ca 0.00 0.12 0.11 0.00 -0.26 0.00 0.00 57.72 57.68 1x22 n HIS 39 Cb 0.00 -0.17 0.33 0.00 1.12 0.00 0.00 29.99 31.27 1x22 n HIS 39 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1x22 n LYS 40 N -0.71 3.10 -1.26 -0.41 0.00 -1.26 -5.06 118.16 112.56 1x22 n LYS 40 Ca 0.00 -2.72 0.06 0.00 0.00 0.00 0.00 58.31 55.66 1x22 n LYS 40 Cb 0.04 -1.67 -0.03 0.00 0.00 0.00 0.00 35.03 33.37 1x22 n LYS 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1x22 n LYS 41 N 1.38 -3.17 0.00 1.64 5.02 -1.26 -5.30 118.16 116.48 1x22 n LYS 41 Ca 0.24 2.51 0.09 0.00 -2.02 0.00 0.00 58.31 59.13 1x22 n LYS 41 Cb 0.71 -3.30 0.55 0.00 -0.02 0.00 0.00 35.03 32.97 1x22 n LYS 41 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24