#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kn6 n VAL 5 N 0.00 0.00 0.00 -2.13 3.14 -1.26 -4.14 118.33 113.94 1kn6 n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1kn6 n VAL 5 Cb 0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 1kn6 n VAL 5 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1kn6 n ASN 6 N -1.37 0.00 -4.12 6.55 5.15 -1.26 -4.48 115.26 115.72 1kn6 n ASN 6 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1kn6 n ASN 6 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1kn6 n ASN 6 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1kn6 s GLU 7 N 0.00 0.69 -0.25 1.20 4.04 -1.21 -3.88 118.70 119.29 1kn6 s GLU 7 Ca 0.00 -1.16 -0.20 0.00 0.04 0.00 0.00 54.97 53.65 1kn6 s GLU 7 Cb 0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 34.13 34.03 1kn6 s GLU 7 CO 0.00 -0.03 0.63 -0.46 -1.84 0.00 0.00 175.26 173.56 1kn6 s TRP 8 N -3.15 3.29 -0.10 4.83 -0.00 0.55 -2.64 118.94 121.71 1kn6 s TRP 8 Ca 0.05 0.83 0.00 0.00 -0.00 0.00 0.00 56.10 56.98 1kn6 s TRP 8 Cb 0.02 -2.84 -0.02 0.00 -0.00 0.00 0.00 33.47 30.63 1kn6 s TRP 8 CO -0.05 -0.31 -0.10 0.00 -0.00 0.00 0.00 176.95 176.49 1kn6 s ALA 9 N 2.46 2.79 0.11 5.86 0.00 -1.01 -0.60 121.76 131.37 1kn6 s ALA 9 Ca 0.26 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 1kn6 s ALA 9 Cb -0.15 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1kn6 s ALA 9 CO 0.09 0.38 0.34 0.00 0.00 0.00 0.00 175.76 176.57 1kn6 s ALA 10 N -0.14 -0.74 -0.35 0.00 0.00 -0.95 -3.25 121.76 116.33 1kn6 s ALA 10 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 1kn6 s ALA 10 Cb -0.13 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1kn6 s ALA 10 CO 0.03 -0.59 0.20 -1.21 0.00 0.00 0.00 175.76 174.19 1kn6 s GLU 11 N -3.73 3.06 -0.12 0.00 0.41 -1.20 -0.34 118.70 116.78 1kn6 s GLU 11 Ca 0.03 -0.92 0.01 0.00 -0.41 0.00 0.00 54.97 53.68 1kn6 s GLU 11 Cb 0.02 -3.70 0.02 0.00 -1.78 0.00 0.00 34.13 28.69 1kn6 s GLU 11 CO -0.11 -0.59 -0.15 -1.50 -0.49 0.00 0.00 175.26 172.42 1kn6 s ILE 12 N 1.60 1.49 0.01 -1.63 -1.16 0.39 -3.58 121.20 118.32 1kn6 s ILE 12 Ca 0.03 -0.63 -0.20 0.00 -0.51 0.00 0.00 60.65 59.35 1kn6 s ILE 12 Cb -0.18 -1.37 -0.22 0.00 0.61 0.00 0.00 42.46 41.29 1kn6 s ILE 12 CO 0.07 0.44 1.12 -0.65 -2.81 0.00 0.00 174.94 173.12 1kn6 h PRO 13 N 7.56 0.42 0.00 3.50 0.11 -1.85 -3.35 132.00 138.38 1kn6 h PRO 13 Ca -0.32 -0.42 0.00 0.00 0.11 0.00 0.00 66.00 65.37 1kn6 h PRO 13 Cb 1.17 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1kn6 h PRO 13 CO 0.49 1.08 0.00 0.41 -0.21 0.00 0.00 178.00 179.77 1kn6 n GLY 14 N 0.98 0.71 1.10 -0.55 0.00 -1.26 -4.80 105.19 101.38 1kn6 n GLY 14 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1kn6 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kn6 n GLY 15 N 0.35 1.61 0.25 -0.02 0.00 -1.26 -4.21 105.19 101.92 1kn6 n GLY 15 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1kn6 n GLY 15 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1kn6 h GLN 16 N 0.67 -0.59 -0.80 1.61 4.20 -1.87 1.13 115.11 119.46 1kn6 h GLN 16 Ca 0.00 0.04 0.20 0.00 0.06 0.00 0.00 58.65 58.95 1kn6 h GLN 16 Cb 0.77 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.63 1kn6 h GLN 16 CO 0.00 -0.39 0.55 0.93 -0.67 0.00 0.00 178.83 179.25 1kn6 h GLU 17 N -0.86 0.22 0.11 1.46 5.08 -2.01 0.21 114.58 118.79 1kn6 h GLU 17 Ca -0.06 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.01 1kn6 h GLU 17 Cb 0.47 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1kn6 h GLU 17 CO 0.10 0.15 -1.26 0.00 -1.00 0.00 0.00 179.01 177.00 1kn6 h ALA 18 N 1.63 0.16 -0.41 3.43 0.00 -1.82 -3.09 119.26 119.16 1kn6 h ALA 18 Ca 0.40 -0.93 0.07 0.00 0.00 0.00 0.00 54.91 54.45 1kn6 h ALA 18 Cb 1.22 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1kn6 h ALA 18 CO -0.09 1.04 0.04 0.00 0.00 0.00 0.00 179.25 180.25 1kn6 h ALA 19 N 0.63 0.41 0.00 0.00 0.00 0.46 0.24 119.26 121.00 1kn6 h ALA 19 Ca -0.13 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1kn6 h ALA 19 Cb 1.95 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 1kn6 h ALA 19 CO 0.19 -0.36 -0.40 0.66 0.00 0.00 0.00 179.25 179.34 1kn6 h SER 20 N 0.16 0.00 0.71 0.00 4.64 -1.53 -2.55 113.55 114.98 1kn6 h SER 20 Ca 0.20 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 1kn6 h SER 20 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1kn6 h SER 20 CO -0.30 0.40 -0.45 0.00 -0.87 0.00 0.00 176.83 175.62 1kn6 h ALA 21 N 1.60 1.03 0.67 5.18 0.00 -0.80 -3.16 119.26 123.79 1kn6 h ALA 21 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1kn6 h ALA 21 Cb 0.75 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1kn6 h ALA 21 CO 0.05 0.56 -0.32 0.82 0.00 0.00 0.00 179.25 180.36 1kn6 h ILE 22 N 0.00 0.16 -1.09 0.00 2.04 -0.21 0.43 117.51 118.85 1kn6 h ILE 22 Ca -0.00 -0.28 0.30 0.00 1.00 0.00 0.00 64.86 65.87 1kn6 h ILE 22 Cb 0.93 0.21 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 1kn6 h ILE 22 CO 0.06 0.02 0.69 0.00 0.00 0.00 0.00 178.15 178.92 1kn6 h ALA 23 N -1.00 2.27 0.04 1.87 0.00 -1.60 0.66 119.26 121.50 1kn6 h ALA 23 Ca -0.09 0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1kn6 h ALA 23 Cb 0.72 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1kn6 h ALA 23 CO 0.15 -0.74 -1.10 0.93 0.00 0.00 0.00 179.25 178.49 1kn6 h GLU 24 N 0.35 0.09 -0.26 0.00 5.08 -1.48 0.92 114.58 119.28 1kn6 h GLU 24 Ca 0.65 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.69 1kn6 h GLU 24 Cb 1.69 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 1kn6 h GLU 24 CO -0.36 1.06 -0.51 1.49 -1.00 0.00 0.00 179.01 179.69 1kn6 h GLU 25 N 0.02 0.74 0.00 2.33 4.57 0.49 -3.38 114.58 119.35 1kn6 h GLU 25 Ca -0.06 -0.45 -0.21 0.00 -1.18 0.00 0.00 59.36 57.46 1kn6 h GLU 25 Cb 1.84 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.45 1kn6 h GLU 25 CO 0.15 1.07 -1.66 1.47 -1.18 0.00 0.00 179.01 178.86 1kn6 n LEU 26 N -4.00 1.81 0.00 1.64 -0.00 0.37 -5.06 117.00 111.77 1kn6 n LEU 26 Ca -0.03 0.31 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1kn6 n LEU 26 Cb 0.60 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1kn6 n LEU 26 CO 0.48 0.11 0.00 0.61 -0.00 0.00 0.00 177.39 178.59 1kn6 n GLY 27 N 1.54 -0.10 2.90 1.47 0.00 0.72 -4.97 105.19 106.75 1kn6 n GLY 27 Ca -0.31 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 1kn6 n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1kn6 n TYR 28 N 0.00 -0.22 -3.86 1.61 4.02 0.29 -5.00 117.16 114.00 1kn6 n TYR 28 Ca 0.00 -2.37 -0.33 0.00 -0.01 0.00 0.00 57.90 55.18 1kn6 n TYR 28 Cb 0.00 0.10 -0.12 0.00 -0.02 0.00 0.00 39.34 39.30 1kn6 n TYR 28 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1kn6 s ASP 29 N -3.14 4.87 -0.28 7.72 1.11 -1.19 -4.38 116.67 121.38 1kn6 s ASP 29 Ca 0.25 -2.63 -0.21 0.00 0.18 0.00 0.00 52.55 50.14 1kn6 s ASP 29 Cb 0.01 -1.74 -0.01 0.00 1.07 0.00 0.00 42.92 42.25 1kn6 s ASP 29 CO 0.18 -0.36 0.68 -0.22 1.18 0.00 0.00 175.17 176.63 1kn6 s LEU 30 N 0.26 4.09 -0.27 1.23 1.98 -1.26 -0.07 118.68 124.64 1kn6 s LEU 30 Ca 0.14 0.65 -0.00 0.00 -2.89 0.00 0.00 54.13 52.03 1kn6 s LEU 30 Cb -0.22 -2.92 0.14 0.00 0.66 0.00 0.00 46.19 43.85 1kn6 s LEU 30 CO -0.03 -0.46 0.38 -0.76 -1.89 0.00 0.00 176.35 173.58 1kn6 s LEU 31 N 2.66 -0.64 -0.26 -0.68 1.43 0.34 -4.82 118.68 116.71 1kn6 s LEU 31 Ca 0.28 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1kn6 s LEU 31 Cb -0.15 1.02 0.14 0.00 0.03 0.00 0.00 46.19 47.23 1kn6 s LEU 31 CO 0.10 -0.33 0.37 -0.83 0.23 0.00 0.00 176.35 175.88 1kn6 s GLY 32 N 2.52 -0.40 -0.43 -3.19 0.00 -1.26 -3.54 107.32 101.02 1kn6 s GLY 32 Ca 0.11 0.44 0.08 0.00 0.00 0.00 0.00 44.72 45.35 1kn6 s GLY 32 CO -0.24 2.76 0.88 -1.06 0.00 0.00 0.00 173.10 175.44 1kn6 n GLN 33 N 5.35 0.92 -0.18 2.90 1.13 -1.23 -4.14 117.38 122.13 1kn6 n GLN 33 Ca -0.02 -2.54 0.13 0.00 -1.94 0.00 0.00 57.00 52.63 1kn6 n GLN 33 Cb 0.49 -1.34 0.45 0.00 0.11 0.00 0.00 30.24 29.95 1kn6 n GLN 33 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 1kn6 h ILE 34 N 2.22 0.85 0.00 5.09 -0.00 -1.97 -3.46 117.51 120.24 1kn6 h ILE 34 Ca -0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 1kn6 h ILE 34 Cb 1.02 0.27 0.00 0.00 -0.00 0.00 0.00 36.82 38.11 1kn6 h ILE 34 CO 0.33 0.10 0.00 0.61 -0.00 0.00 0.00 178.15 179.18 1kn6 n GLY 35 N -1.49 1.97 0.33 0.16 0.00 -1.26 -4.74 105.19 100.16 1kn6 n GLY 35 Ca 0.14 -0.25 0.24 0.00 0.00 0.00 0.00 46.02 46.15 1kn6 n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kn6 h SER 36 N 0.00 0.39 0.00 1.61 0.02 -2.04 -2.28 113.55 111.25 1kn6 h SER 36 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1kn6 h SER 36 Cb 0.00 0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1kn6 h SER 36 CO 0.00 -0.22 -0.86 0.00 -1.14 0.00 0.00 176.83 174.62 1kn6 n LEU 37 N -5.13 0.00 -3.08 5.07 -0.00 -1.26 -5.10 117.00 107.50 1kn6 n LEU 37 Ca 0.32 -0.08 -0.00 0.00 -0.00 0.00 0.00 56.01 56.24 1kn6 n LEU 37 Cb 1.02 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 44.44 1kn6 n LEU 37 CO 0.07 0.00 -0.07 -1.84 -0.00 0.00 0.00 177.39 175.54 1kn6 n GLU 38 N -1.43 -1.30 0.00 1.47 0.28 -0.86 -4.83 120.64 113.96 1kn6 n GLU 38 Ca -0.00 1.27 0.00 0.00 -0.16 0.00 0.00 57.16 58.26 1kn6 n GLU 38 Cb 0.01 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 31.90 1kn6 n GLU 38 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1kn6 n ASN 39 N 2.38 0.00 -4.77 -1.84 0.23 -1.26 -4.90 115.26 105.10 1kn6 n ASN 39 Ca -0.01 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.63 1kn6 n ASN 39 Cb 0.07 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.76 1kn6 n ASN 39 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1kn6 s HIS 40 N 0.00 2.75 -0.09 -2.53 2.46 -1.26 -0.46 115.29 116.17 1kn6 s HIS 40 Ca 0.00 1.09 -0.05 0.00 0.47 0.00 0.00 55.06 56.56 1kn6 s HIS 40 Cb 0.00 -3.96 0.04 0.00 -0.13 0.00 0.00 32.58 28.53 1kn6 s HIS 40 CO 0.00 -2.94 0.21 0.71 -2.47 0.00 0.00 174.74 170.25 1kn6 s TYR 41 N -0.70 -0.26 0.06 3.88 1.51 0.54 -3.52 117.35 118.86 1kn6 s TYR 41 Ca 0.56 0.65 0.04 0.00 -1.01 0.00 0.00 57.07 57.31 1kn6 s TYR 41 Cb -0.45 0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.40 1kn6 s TYR 41 CO 0.55 -0.18 -0.11 -0.48 -1.11 0.00 0.00 175.55 174.22 1kn6 s LEU 42 N 0.92 2.30 -0.13 -1.29 -0.00 -1.23 -2.24 118.68 117.01 1kn6 s LEU 42 Ca -0.07 -0.64 -0.03 0.00 -0.00 0.00 0.00 54.13 53.40 1kn6 s LEU 42 Cb -0.08 -0.32 -0.03 0.00 -0.00 0.00 0.00 46.19 45.76 1kn6 s LEU 42 CO -0.06 -0.17 -0.04 -0.36 -0.00 0.00 0.00 176.35 175.72 1kn6 s PHE 43 N -1.59 3.02 -0.21 3.48 0.40 0.23 0.13 117.98 123.43 1kn6 s PHE 43 Ca -0.04 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1kn6 s PHE 43 Cb -0.08 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.57 1kn6 s PHE 43 CO 0.01 0.09 -0.10 0.15 0.70 0.00 0.00 175.22 176.06 1kn6 s LYS 44 N 0.00 3.15 -0.19 0.44 3.01 0.89 -0.33 119.74 126.71 1kn6 s LYS 44 Ca 0.01 -0.75 0.13 0.00 -1.01 0.00 0.00 55.97 54.35 1kn6 s LYS 44 Cb -0.13 -2.84 0.39 0.00 -1.01 0.00 0.00 37.83 34.24 1kn6 s LYS 44 CO 0.03 -0.23 1.22 -2.39 0.51 0.00 0.00 175.35 174.49 1kn6 n HIS 45 N 4.71 0.10 -1.76 3.18 1.44 -1.25 -3.17 115.22 118.47 1kn6 n HIS 45 Ca -0.19 -1.35 -0.27 0.00 -2.01 0.00 0.00 57.72 53.91 1kn6 n HIS 45 Cb 0.50 -0.24 -0.08 0.00 0.12 0.00 0.00 29.99 30.29 1kn6 n HIS 45 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1kn6 n LYS 46 N -1.20 1.08 0.00 -1.40 5.02 -1.26 -3.57 118.16 116.83 1kn6 n LYS 46 Ca 0.19 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 1kn6 n LYS 46 Cb 0.71 -3.65 0.00 0.00 -0.02 0.00 0.00 35.03 32.06 1kn6 n LYS 46 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1kn6 n SER 47 N 15.09 0.00 -0.03 4.39 3.41 -1.26 -4.98 113.62 130.24 1kn6 n SER 47 Ca 0.44 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.85 1kn6 n SER 47 Cb 0.46 0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 64.49 1kn6 n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kn6 n HIS 48 N -2.19 0.97 -3.56 7.33 -0.00 -1.23 -4.90 115.22 111.63 1kn6 n HIS 48 Ca 0.00 0.21 -0.37 0.00 -0.00 0.00 0.00 57.72 57.56 1kn6 n HIS 48 Cb 0.00 -1.12 -0.09 0.00 -0.00 0.00 0.00 29.99 28.78 1kn6 n HIS 48 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1kn6 s PRO 49 N -2.54 4.11 -0.43 -1.40 0.04 -1.26 -4.83 135.00 128.69 1kn6 s PRO 49 Ca -0.26 -0.10 0.02 0.00 0.04 0.00 0.00 61.00 60.71 1kn6 s PRO 49 Cb 0.07 -3.54 0.55 0.00 0.04 0.00 0.00 34.50 31.62 1kn6 s PRO 49 CO 0.72 0.03 1.85 0.54 0.04 0.00 0.00 177.00 180.18 1kn6 n ARG 50 N 4.34 2.16 -1.47 4.56 1.74 -1.26 -4.81 116.66 121.92 1kn6 n ARG 50 Ca -0.13 -2.67 -0.01 0.00 -0.77 0.00 0.00 57.85 54.28 1kn6 n ARG 50 Cb 0.52 -2.05 -0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1kn6 n ARG 50 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1kn6 n ARG 51 N -0.88 -1.10 -2.13 5.56 1.74 -1.26 -4.78 116.66 113.82 1kn6 n ARG 51 Ca 0.53 1.20 -0.02 0.00 -0.77 0.00 0.00 57.85 58.79 1kn6 n ARG 51 Cb 1.36 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 1kn6 n ARG 51 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1kn6 n SER 52 N 0.39 -1.53 0.00 0.55 2.88 -1.26 -4.29 113.62 110.36 1kn6 n SER 52 Ca -0.04 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1kn6 n SER 52 Cb 0.06 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1kn6 n SER 52 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kn6 n ARG 53 N -1.09 0.00 -3.23 -1.46 3.00 -1.26 -5.00 116.66 107.61 1kn6 n ARG 53 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.81 1kn6 n ARG 53 Cb 0.51 -0.73 -0.04 0.00 0.00 0.00 0.00 32.46 32.20 1kn6 n ARG 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1kn6 s ARG 54 N -1.91 0.48 0.81 5.56 1.81 -1.26 -5.00 118.95 119.44 1kn6 s ARG 54 Ca 0.00 0.70 -0.14 0.00 -1.72 0.00 0.00 55.73 54.58 1kn6 s ARG 54 Cb 0.00 0.08 0.21 0.00 -0.45 0.00 0.00 34.95 34.79 1kn6 s ARG 54 CO 0.00 -0.72 0.58 0.43 -0.68 0.00 0.00 175.30 174.91 1kn6 n SER 55 N 5.40 -2.52 -4.53 0.23 7.64 -1.26 -4.60 113.62 113.97 1kn6 n SER 55 Ca -0.01 -0.70 -0.32 0.00 1.01 0.00 0.00 58.87 58.85 1kn6 n SER 55 Cb 0.51 -0.60 0.16 0.00 -1.01 0.00 0.00 64.21 63.27 1kn6 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kn6 n ALA 56 N -4.42 -1.89 -1.00 -0.43 0.00 -1.26 -4.99 120.51 106.52 1kn6 n ALA 56 Ca -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1kn6 n ALA 56 Cb 0.36 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1kn6 n ALA 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kn6 n LEU 57 N -2.94 0.00 0.17 0.00 4.32 -1.26 -4.90 117.00 112.39 1kn6 n LEU 57 Ca 0.09 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.10 1kn6 n LEU 57 Cb 0.53 0.00 0.28 0.00 -1.62 0.00 0.00 43.42 42.61 1kn6 n LEU 57 CO 0.50 0.00 0.61 -0.74 -1.22 0.00 0.00 177.39 176.55 1kn6 h HIS 58 N 0.00 0.00 0.00 -1.77 2.76 -1.94 -2.73 115.15 111.48 1kn6 h HIS 58 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1kn6 h HIS 58 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1kn6 h HIS 58 CO 0.00 0.47 0.00 -0.89 -1.30 0.00 0.00 177.93 176.21 1kn6 n ILE 59 N -3.72 0.32 0.14 6.26 2.08 -1.26 -2.84 119.36 120.34 1kn6 n ILE 59 Ca -0.01 0.08 0.02 0.00 0.56 0.00 0.00 62.75 63.41 1kn6 n ILE 59 Cb 0.54 -0.80 0.18 0.00 -0.75 0.00 0.00 39.64 38.80 1kn6 n ILE 59 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1kn6 n THR 60 N -1.18 1.29 0.10 1.39 -2.24 -1.03 -3.30 114.28 109.31 1kn6 n THR 60 Ca 0.10 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1kn6 n THR 60 Cb 0.11 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1kn6 n THR 60 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1kn6 n LYS 61 N 0.25 0.00 0.17 -0.78 0.00 -1.13 -4.85 118.16 111.83 1kn6 n LYS 61 Ca 0.13 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.53 1kn6 n LYS 61 Cb 0.70 -0.18 0.09 0.00 -0.00 0.00 0.00 35.03 35.64 1kn6 n LYS 61 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1kn6 h ARG 62 N 0.00 0.00 0.48 -1.58 9.65 -1.76 -2.60 114.38 118.56 1kn6 h ARG 62 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1kn6 h ARG 62 Cb 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1kn6 h ARG 62 CO 0.00 0.17 -0.23 1.25 2.80 0.00 0.00 179.97 183.96 1kn6 h LEU 63 N 0.00 -0.54 -0.61 3.80 7.12 -1.84 0.24 115.31 123.48 1kn6 h LEU 63 Ca -0.01 -0.07 -0.14 0.00 0.13 0.00 0.00 57.88 57.79 1kn6 h LEU 63 Cb 1.15 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.41 1kn6 h LEU 63 CO 0.02 -0.23 -0.42 0.77 -0.13 0.00 0.00 178.44 178.45 1kn6 h SER 64 N -0.87 0.66 -0.53 1.25 4.64 -1.76 0.56 113.55 117.49 1kn6 h SER 64 Ca -0.07 -0.30 0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1kn6 h SER 64 Cb 0.58 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 1kn6 h SER 64 CO 0.11 1.00 0.27 -0.78 -0.87 0.00 0.00 176.83 176.56 1kn6 h ASP 65 N 0.50 0.39 1.83 4.97 3.58 -1.40 -0.88 116.42 125.41 1kn6 h ASP 65 Ca 0.04 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1kn6 h ASP 65 Cb 0.95 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 1kn6 h ASP 65 CO 0.09 0.26 -0.17 -0.78 -2.88 0.00 0.00 179.24 175.76 1kn6 h ASP 66 N 0.52 0.00 0.00 2.28 3.58 -0.32 -3.25 116.42 119.24 1kn6 h ASP 66 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1kn6 h ASP 66 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1kn6 h ASP 66 CO -0.17 0.03 0.09 -0.78 -2.88 0.00 0.00 179.24 175.53 1kn6 h ASP 67 N 0.00 0.00 -0.93 2.28 3.58 0.16 -2.56 116.42 118.94 1kn6 h ASP 67 Ca -0.00 0.00 0.27 0.00 0.42 0.00 0.00 57.03 57.72 1kn6 h ASP 67 Cb 1.02 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.03 1kn6 h ASP 67 CO 0.00 0.00 0.87 0.08 -2.88 0.00 0.00 179.24 177.31 1kn6 h ARG 68 N 0.00 0.00 -0.74 0.28 0.11 -1.57 -1.40 114.38 111.06 1kn6 h ARG 68 Ca 0.00 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.17 1kn6 h ARG 68 Cb 0.17 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.14 1kn6 h ARG 68 CO 0.00 0.00 -0.49 -0.39 0.10 0.00 0.00 179.97 179.19 1kn6 h VAL 69 N 0.00 0.04 0.00 0.08 -1.51 -1.77 -3.45 116.25 109.63 1kn6 h VAL 69 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 1kn6 h VAL 69 Cb 2.18 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1kn6 h VAL 69 CO -0.00 0.00 0.00 0.41 -1.23 0.00 0.00 177.57 176.75 1kn6 n THR 70 N -5.37 0.00 -3.80 7.19 -1.04 -0.53 -4.74 114.28 105.99 1kn6 n THR 70 Ca 0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.91 1kn6 n THR 70 Cb 0.33 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.75 1kn6 n THR 70 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 1kn6 s TRP 71 N -0.29 -0.11 -0.08 -1.42 1.48 -1.24 -5.07 118.94 112.21 1kn6 s TRP 71 Ca 0.00 0.17 -0.03 0.00 -1.06 0.00 0.00 56.10 55.18 1kn6 s TRP 71 Cb 0.00 0.05 0.05 0.00 -1.16 0.00 0.00 33.47 32.40 1kn6 s TRP 71 CO 0.00 -0.33 0.14 0.00 -4.06 0.00 0.00 176.95 172.69 1kn6 s ALA 72 N -1.22 -0.05 -0.01 2.67 0.00 -1.26 -3.22 121.76 118.67 1kn6 s ALA 72 Ca -0.13 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1kn6 s ALA 72 Cb -0.06 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1kn6 s ALA 72 CO 0.03 -0.61 0.01 -2.00 0.00 0.00 0.00 175.76 173.19 1kn6 s GLU 73 N 2.26 -0.01 0.03 0.00 2.12 -1.20 -5.01 118.70 116.88 1kn6 s GLU 73 Ca 0.04 0.07 -0.19 0.00 0.36 0.00 0.00 54.97 55.25 1kn6 s GLU 73 Cb -0.12 -0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.12 1kn6 s GLU 73 CO -0.06 -0.06 0.55 -1.14 -0.54 0.00 0.00 175.26 174.02 1kn6 s GLN 74 N 0.39 4.22 -0.33 4.30 0.74 -1.26 -2.41 119.66 125.31 1kn6 s GLN 74 Ca -0.03 0.68 0.04 0.00 0.05 0.00 0.00 55.36 56.10 1kn6 s GLN 74 Cb -0.05 -3.29 0.09 0.00 1.10 0.00 0.00 33.01 30.87 1kn6 s GLN 74 CO -0.01 0.52 0.03 -0.65 -0.55 0.00 0.00 175.29 174.63 1kn6 s GLN 75 N -0.67 1.54 0.00 1.67 1.11 -1.08 -4.92 119.66 117.31 1kn6 s GLN 75 Ca 0.29 -1.78 0.27 0.00 0.01 0.00 0.00 55.36 54.15 1kn6 s GLN 75 Cb -0.18 -3.12 0.91 0.00 -1.01 0.00 0.00 33.01 29.61 1kn6 s GLN 75 CO 0.17 -0.89 1.67 0.66 0.01 0.00 0.00 175.29 176.90