#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x22 h LYS 2 N 0.00 0.00 -3.15 1.61 1.79 -2.11 -3.40 116.57 111.31 1x22 h LYS 2 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1x22 h LYS 2 Cb 0.00 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.24 1x22 h LYS 2 CO 0.00 0.52 -0.66 0.42 -1.08 0.00 0.00 179.45 178.65 1x22 s ILE 3 N -2.85 2.28 -1.46 1.86 1.01 -1.26 -5.00 121.20 115.79 1x22 s ILE 3 Ca -0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 60.65 57.18 1x22 s ILE 3 Cb 0.08 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 40.03 1x22 s ILE 3 CO 0.79 -0.91 2.59 -0.81 0.00 0.00 0.00 174.94 176.61 1x22 n PRO 4 N 2.86 4.07 -0.07 2.79 -0.05 -1.26 -4.62 135.00 138.72 1x22 n PRO 4 Ca 0.11 -2.89 -0.12 0.00 -0.05 0.00 0.00 63.50 60.55 1x22 n PRO 4 Cb 0.34 -2.75 0.01 0.00 -0.05 0.00 0.00 33.50 31.05 1x22 n PRO 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 1x22 h VAL 5 N 2.91 1.28 0.00 0.52 2.07 -1.99 -2.12 116.25 118.93 1x22 h VAL 5 Ca 0.75 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1x22 h VAL 5 Cb 0.33 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1x22 h VAL 5 CO 1.64 0.53 0.00 0.29 0.02 0.00 0.00 177.57 180.05 1x22 n LYS 6 N -4.03 0.14 -0.04 1.57 4.01 -1.26 -2.70 118.16 115.85 1x22 n LYS 6 Ca -0.03 0.15 -0.20 0.00 -0.51 0.00 0.00 58.31 57.72 1x22 n LYS 6 Cb 0.57 -1.50 -0.13 0.00 -0.51 0.00 0.00 35.03 33.46 1x22 n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1x22 h ALA 7 N 2.76 0.19 -0.93 7.82 0.00 -1.76 -2.71 119.26 124.64 1x22 h ALA 7 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 54.91 53.91 1x22 h ALA 7 Cb 0.24 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1x22 h ALA 7 CO 0.00 0.68 0.61 0.82 0.00 0.00 0.00 179.25 181.36 1x22 h ILE 8 N -0.63 1.09 -0.23 0.00 2.04 -1.29 -0.27 117.51 118.22 1x22 h ILE 8 Ca -0.28 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 1x22 h ILE 8 Cb 1.50 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1x22 h ILE 8 CO -0.04 0.20 -0.08 0.50 0.00 0.00 0.00 178.15 178.73 1x22 h LYS 9 N 1.10 0.47 -0.69 2.37 3.64 -1.64 -2.60 116.57 119.22 1x22 h LYS 9 Ca 0.39 -0.19 0.12 0.00 -1.27 0.00 0.00 60.65 59.70 1x22 h LYS 9 Cb 0.15 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1x22 h LYS 9 CO -0.14 0.71 0.46 -0.22 -2.27 0.00 0.00 179.45 177.99 1x22 h LYS 10 N 0.20 0.44 0.12 1.90 3.64 -0.94 -1.75 116.57 120.18 1x22 h LYS 10 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1x22 h LYS 10 Cb 0.55 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1x22 h LYS 10 CO 0.03 0.29 -0.06 0.00 -2.27 0.00 0.00 179.45 177.44 1x22 h ALA 11 N 1.66 -0.16 0.00 5.00 0.00 -0.81 -2.35 119.26 122.60 1x22 h ALA 11 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1x22 h ALA 11 Cb 0.65 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x22 h ALA 11 CO -0.10 -0.42 0.27 0.78 0.00 0.00 0.00 179.25 179.78 1x22 h GLY 12 N -0.52 0.00 0.12 0.00 0.00 -0.96 -1.00 103.07 100.70 1x22 h GLY 12 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1x22 h GLY 12 CO 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.51 1x22 h ALA 13 N 1.43 -0.16 -0.60 3.60 0.00 -0.90 -2.91 119.26 119.72 1x22 h ALA 13 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1x22 h ALA 13 Cb 0.54 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1x22 h ALA 13 CO 0.00 -0.15 0.24 0.00 0.00 0.00 0.00 179.25 179.34 1x22 h ALA 14 N -1.08 0.77 -0.23 0.00 0.00 -1.01 -2.02 119.26 115.69 1x22 h ALA 14 Ca -0.02 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1x22 h ALA 14 Cb 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1x22 h ALA 14 CO 0.03 -0.17 -0.11 0.82 0.00 0.00 0.00 179.25 179.82 1x22 h ILE 15 N 0.43 0.65 -0.91 0.00 2.04 -1.35 -0.94 117.51 117.43 1x22 h ILE 15 Ca 0.29 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.36 1x22 h ILE 15 Cb 0.34 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1x22 h ILE 15 CO -0.28 0.00 0.60 1.23 0.00 0.00 0.00 178.15 179.70 1x22 h GLY 16 N -0.09 0.84 0.89 5.37 0.00 -1.16 -0.56 103.07 108.37 1x22 h GLY 16 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1x22 h GLY 16 CO -0.28 -0.01 0.06 0.50 0.00 0.00 0.00 176.54 176.81 1x22 h LYS 17 N 0.38 0.48 -0.63 4.80 1.57 -0.86 -2.40 116.57 119.92 1x22 h LYS 17 Ca 0.47 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 59.19 1x22 h LYS 17 Cb 1.21 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 1x22 h LYS 17 CO -0.17 0.57 0.33 0.78 -0.57 0.00 0.00 179.45 180.39 1x22 h GLY 18 N 0.31 0.92 1.01 3.86 0.00 -0.80 -1.84 103.07 106.52 1x22 h GLY 18 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1x22 h GLY 18 CO 0.00 0.12 0.46 1.41 0.00 0.00 0.00 176.54 178.53 1x22 h LEU 19 N 0.61 0.84 -1.85 3.11 3.38 -1.35 -1.52 115.31 118.53 1x22 h LEU 19 Ca 0.29 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.30 1x22 h LEU 19 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1x22 h LEU 19 CO -0.19 0.63 0.27 -0.09 0.09 0.00 0.00 178.44 179.14 1x22 h ARG 20 N 0.97 0.17 0.15 1.13 2.43 -0.82 0.26 114.38 118.67 1x22 h ARG 20 Ca 0.26 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1x22 h ARG 20 Cb -0.08 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1x22 h ARG 20 CO -0.05 0.11 -0.07 0.00 -1.51 0.00 0.00 179.97 178.45 1x22 h ALA 21 N 1.80 -0.20 0.00 2.80 0.00 -0.77 -0.22 119.26 122.67 1x22 h ALA 21 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1x22 h ALA 21 Cb 0.48 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1x22 h ALA 21 CO -0.03 -0.46 -0.18 0.82 0.00 0.00 0.00 179.25 179.39 1x22 h ILE 22 N -0.50 0.73 0.06 0.00 5.03 -1.20 -2.58 117.51 119.05 1x22 h ILE 22 Ca -0.02 -0.76 -0.00 0.00 -0.12 0.00 0.00 64.86 63.96 1x22 h ILE 22 Cb 0.39 1.47 0.00 0.00 -3.03 0.00 0.00 36.82 35.65 1x22 h ILE 22 CO 0.03 0.18 -0.03 -1.13 -0.68 0.00 0.00 178.15 176.52 1x22 h ASN 23 N 0.00 -0.07 -0.60 1.72 -1.24 -0.76 -2.63 115.58 112.00 1x22 h ASN 23 Ca -0.00 -0.52 0.12 0.00 0.71 0.00 0.00 56.30 56.61 1x22 h ASN 23 Cb 0.45 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.48 1x22 h ASN 23 CO 0.02 0.52 0.41 0.16 -1.29 0.00 0.00 177.43 177.25 1x22 h ILE 24 N -0.70 0.83 -0.11 2.57 3.07 -0.88 -1.02 117.51 121.27 1x22 h ILE 24 Ca -0.01 -0.10 -0.02 0.00 1.55 0.00 0.00 64.86 66.28 1x22 h ILE 24 Cb 0.58 0.52 -0.00 0.00 -0.27 0.00 0.00 36.82 37.65 1x22 h ILE 24 CO 0.01 0.05 -0.02 0.00 -1.05 0.00 0.00 178.15 177.14 1x22 h ALA 25 N 1.70 0.16 0.00 0.16 0.00 -1.43 -1.74 119.26 118.11 1x22 h ALA 25 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x22 h ALA 25 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x22 h ALA 25 CO -0.07 -0.11 0.00 0.45 0.00 0.00 0.00 179.25 179.52 1x22 n SER 26 N -4.76 0.00 -0.01 0.00 2.88 -0.50 -2.26 113.62 108.97 1x22 n SER 26 Ca -0.06 0.41 -0.22 0.00 -1.33 0.00 0.00 58.87 57.67 1x22 n SER 26 Cb 0.24 -0.45 -0.13 0.00 -0.75 0.00 0.00 64.21 63.12 1x22 n SER 26 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1x22 h THR 27 N 0.00 0.82 0.00 2.46 2.02 -0.57 -3.31 112.91 114.34 1x22 h THR 27 Ca 0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1x22 h THR 27 Cb 0.15 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1x22 h THR 27 CO 0.00 0.71 0.00 0.00 0.37 0.00 0.00 175.52 176.60 1x22 n ALA 28 N -3.08 -0.08 -0.28 6.16 0.00 -0.72 -0.08 120.51 122.44 1x22 n ALA 28 Ca -0.30 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.38 1x22 n ALA 28 Cb 0.93 0.41 0.57 0.00 0.00 0.00 0.00 19.45 21.35 1x22 n ALA 28 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1x22 h HIS 29 N 0.00 0.45 0.00 0.00 2.07 -1.78 1.06 115.15 116.95 1x22 h HIS 29 Ca 0.00 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.51 1x22 h HIS 29 Cb 0.00 -0.13 -0.00 0.00 2.57 0.00 0.00 27.41 29.84 1x22 h HIS 29 CO -0.70 0.07 -0.13 0.22 -3.07 0.00 0.00 177.93 174.32 1x22 h ASP 30 N 0.30 0.00 0.12 3.10 3.58 -0.57 -1.69 116.42 121.26 1x22 h ASP 30 Ca 0.53 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.79 1x22 h ASP 30 Cb 1.53 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.59 1x22 h ASP 30 CO -0.19 0.13 -0.88 0.58 -2.88 0.00 0.00 179.24 176.00 1x22 h VAL 31 N 0.00 1.43 0.00 2.25 2.07 0.43 -2.85 116.25 119.57 1x22 h VAL 31 Ca -0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1x22 h VAL 31 Cb 0.35 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1x22 h VAL 31 CO 0.02 0.70 0.00 1.88 0.02 0.00 0.00 177.57 180.18 1x22 h TYR 32 N -0.42 0.00 0.01 1.57 0.05 -1.11 0.17 116.97 117.23 1x22 h TYR 32 Ca -0.17 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.61 1x22 h TYR 32 Cb 1.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.35 1x22 h TYR 32 CO 0.19 0.00 -0.00 1.03 -1.05 0.00 0.00 178.16 178.32 1x22 h SER 33 N 0.00 -0.01 -0.01 3.88 0.87 -1.33 -3.30 113.55 113.65 1x22 h SER 33 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x22 h SER 33 Cb 0.17 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1x22 h SER 33 CO 0.00 0.36 0.03 0.15 -0.53 0.00 0.00 176.83 176.84 1x22 h PHE 34 N -0.74 0.00 0.00 2.24 3.57 -1.35 -3.25 116.94 117.40 1x22 h PHE 34 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1x22 h PHE 34 Cb 0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1x22 h PHE 34 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 1x22 n PHE 35 N -3.29 0.00 0.00 0.41 3.01 0.59 -3.97 117.46 114.22 1x22 n PHE 35 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1x22 n PHE 35 Cb 0.11 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 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 -0.95 0.00 -0.79 -1.08 5.02 -1.23 -4.06 118.16 115.07 1x22 n LYS 36 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1x22 n LYS 36 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1x22 n LYS 36 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1x22 n PRO 37 N 0.00 0.00 0.00 1.97 -0.02 -1.25 -1.96 135.00 133.74 1x22 n PRO 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1x22 n PRO 37 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 1x22 n PRO 37 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1x22 n LYS 38 N 3.01 0.00 0.00 -0.52 4.76 -1.26 -4.74 118.16 119.41 1x22 n LYS 38 Ca 0.31 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1x22 n LYS 38 Cb 0.12 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1x22 n HIS 39 N 0.00 0.00 -3.68 2.13 8.25 -0.83 -4.77 115.22 116.33 1x22 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1x22 n HIS 39 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.44 0.00 -4.12 -0.41 2.85 -1.20 -4.96 118.16 109.88 1x22 n LYS 40 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 1x22 n LYS 40 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 1x22 n LYS 40 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1x22 s LYS 41 N -1.16 3.24 0.00 -1.58 2.20 -1.26 -4.35 119.74 116.83 1x22 s LYS 41 Ca 0.00 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1x22 s LYS 41 Cb 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1x22 s LYS 41 CO 0.00 0.72 0.00 1.17 -0.36 0.00 0.00 175.35 176.88