#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kn6 s VAL 5 N 0.00 -0.01 0.00 -2.13 -7.23 -1.26 -3.97 120.40 105.80 1kn6 s VAL 5 Ca 0.00 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1kn6 s VAL 5 Cb 0.00 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.15 1kn6 s VAL 5 CO 0.00 0.02 0.00 -3.20 -0.31 0.00 0.00 175.10 171.61 1kn6 n ASN 6 N 4.16 0.00 -4.07 4.85 4.05 -1.26 -4.73 115.26 118.26 1kn6 n ASN 6 Ca -0.21 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 54.70 1kn6 n ASN 6 Cb 0.57 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 41.47 1kn6 n ASN 6 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1kn6 s GLU 7 N 3.57 0.54 -0.24 1.20 -1.05 -1.20 -4.46 118.70 117.06 1kn6 s GLU 7 Ca 0.00 -0.83 -0.20 0.00 -0.15 0.00 0.00 54.97 53.79 1kn6 s GLU 7 Cb 0.00 -0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.46 1kn6 s GLU 7 CO 0.00 0.02 0.61 -0.46 0.95 0.00 0.00 175.26 176.38 1kn6 s TRP 8 N -1.78 3.31 -0.08 4.83 -0.00 0.55 -2.85 118.94 122.92 1kn6 s TRP 8 Ca -0.07 0.82 0.01 0.00 -0.00 0.00 0.00 56.10 56.86 1kn6 s TRP 8 Cb -0.07 -2.81 -0.03 0.00 -0.00 0.00 0.00 33.47 30.56 1kn6 s TRP 8 CO -0.01 -0.27 -0.09 0.00 -0.00 0.00 0.00 176.95 176.58 1kn6 s ALA 9 N 2.29 2.86 0.26 5.86 0.00 -0.67 0.77 121.76 133.13 1kn6 s ALA 9 Ca 0.26 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1kn6 s ALA 9 Cb -0.16 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.78 1kn6 s ALA 9 CO 0.09 0.51 0.47 0.00 0.00 0.00 0.00 175.76 176.83 1kn6 s ALA 10 N -0.59 -0.05 -0.14 0.00 0.00 0.24 -3.18 121.76 118.05 1kn6 s ALA 10 Ca 0.09 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1kn6 s ALA 10 Cb -0.12 1.09 0.03 0.00 0.00 0.00 0.00 23.12 24.12 1kn6 s ALA 10 CO 0.02 -0.84 -0.09 -2.00 0.00 0.00 0.00 175.76 172.85 1kn6 s GLU 11 N -3.85 1.76 -0.20 0.00 2.12 -1.21 -0.17 118.70 117.16 1kn6 s GLU 11 Ca 0.24 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.11 1kn6 s GLU 11 Cb -0.00 -1.84 0.10 0.00 0.26 0.00 0.00 34.13 32.65 1kn6 s GLU 11 CO 0.11 -0.29 0.37 -1.50 -0.54 0.00 0.00 175.26 173.41 1kn6 s ILE 12 N 1.62 -0.58 -0.41 -3.70 -1.16 0.17 -3.28 121.20 113.85 1kn6 s ILE 12 Ca 0.04 0.11 -0.03 0.00 -0.51 0.00 0.00 60.65 60.26 1kn6 s ILE 12 Cb -0.13 -0.67 -0.03 0.00 0.61 0.00 0.00 42.46 42.24 1kn6 s ILE 12 CO -0.09 0.01 1.54 -2.65 -2.81 0.00 0.00 174.94 170.95 1kn6 n PRO 13 N 5.37 1.00 0.00 3.50 -0.02 -1.26 -4.28 135.00 139.32 1kn6 n PRO 13 Ca -0.07 -0.91 0.00 0.00 -2.02 0.00 0.00 63.50 60.51 1kn6 n PRO 13 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1kn6 n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kn6 n GLY 14 N 3.76 -0.83 2.31 -1.23 0.00 -1.26 -5.01 105.19 102.93 1kn6 n GLY 14 Ca 0.21 0.29 -0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -0.45 0.31 -0.02 0.00 -1.26 -4.79 105.19 98.98 1kn6 n GLY 15 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.00 -0.75 0.00 1.61 4.20 -1.95 0.82 115.11 119.04 1kn6 h GLN 16 Ca -0.00 0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1kn6 h GLN 16 Cb 0.90 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1kn6 h GLN 16 CO 0.00 -0.50 -0.19 0.93 -0.67 0.00 0.00 178.83 178.41 1kn6 h GLU 17 N -0.88 0.00 0.00 1.46 5.08 -1.99 -3.06 114.58 115.19 1kn6 h GLU 17 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1kn6 h GLU 17 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1kn6 h GLU 17 CO 0.13 0.19 -0.03 0.00 -1.00 0.00 0.00 179.01 178.30 1kn6 h ALA 18 N 1.81 0.00 -0.57 3.43 0.00 -1.92 -2.30 119.26 119.72 1kn6 h ALA 18 Ca -0.00 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.78 1kn6 h ALA 18 Cb 0.95 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1kn6 h ALA 18 CO 0.02 0.02 0.13 0.00 0.00 0.00 0.00 179.25 179.42 1kn6 h ALA 19 N -0.60 0.67 0.00 0.00 0.00 0.56 0.20 119.26 120.10 1kn6 h ALA 19 Ca -0.01 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1kn6 h ALA 19 Cb 0.43 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1kn6 h ALA 19 CO -0.00 -0.30 -0.38 0.66 0.00 0.00 0.00 179.25 179.23 1kn6 h SER 20 N 0.26 0.00 0.41 0.00 4.64 -1.66 -3.01 113.55 114.19 1kn6 h SER 20 Ca 0.29 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 1kn6 h SER 20 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1kn6 h SER 20 CO -0.37 0.38 -0.74 0.00 -0.87 0.00 0.00 176.83 175.22 1kn6 h ALA 21 N 1.62 0.65 0.35 5.18 0.00 -0.17 -3.15 119.26 123.75 1kn6 h ALA 21 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1kn6 h ALA 21 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1kn6 h ALA 21 CO 0.05 0.80 -0.17 0.82 0.00 0.00 0.00 179.25 180.76 1kn6 h ILE 22 N 0.18 0.65 -0.97 0.00 2.04 -0.61 0.54 117.51 119.35 1kn6 h ILE 22 Ca -0.03 -0.42 0.23 0.00 1.00 0.00 0.00 64.86 65.64 1kn6 h ILE 22 Cb 1.31 0.87 -0.12 0.00 -0.74 0.00 0.00 36.82 38.13 1kn6 h ILE 22 CO 0.12 0.08 0.53 0.00 0.00 0.00 0.00 178.15 178.88 1kn6 h ALA 23 N -0.16 1.66 0.00 1.87 0.00 -1.63 0.43 119.26 121.43 1kn6 h ALA 23 Ca -0.05 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1kn6 h ALA 23 Cb 0.49 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1kn6 h ALA 23 CO 0.08 -0.26 -0.79 0.93 0.00 0.00 0.00 179.25 179.21 1kn6 h GLU 24 N 0.55 0.00 0.03 0.00 5.08 -1.48 0.39 114.58 119.14 1kn6 h GLU 24 Ca 0.61 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1kn6 h GLU 24 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1kn6 h GLU 24 CO -0.48 0.71 -0.01 0.93 -1.00 0.00 0.00 179.01 179.15 1kn6 h GLU 25 N 0.00 -0.04 0.00 2.33 5.08 0.44 -3.40 114.58 118.99 1kn6 h GLU 25 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1kn6 h GLU 25 Cb 1.58 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1kn6 h GLU 25 CO 0.09 0.42 -0.84 1.47 -1.00 0.00 0.00 179.01 179.15 1kn6 n LEU 26 N -4.89 1.84 0.00 1.33 -0.00 0.03 -5.07 117.00 110.24 1kn6 n LEU 26 Ca -0.08 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.33 1kn6 n LEU 26 Cb 0.24 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 1kn6 n LEU 26 CO 0.33 -0.33 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1kn6 n GLY 27 N 1.50 -0.39 3.55 1.47 0.00 -0.43 -5.07 105.19 105.81 1kn6 n GLY 27 Ca -0.12 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1kn6 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kn6 s TYR 28 N 0.00 0.81 -0.50 1.61 1.51 0.12 -4.89 117.35 116.01 1kn6 s TYR 28 Ca 0.00 -1.13 -0.04 0.00 -1.01 0.00 0.00 57.07 54.90 1kn6 s TYR 28 Cb 0.00 0.08 0.13 0.00 -0.11 0.00 0.00 41.96 42.07 1kn6 s TYR 28 CO 0.00 -1.16 0.32 -0.51 -1.11 0.00 0.00 175.55 173.08 1kn6 s ASP 29 N -3.17 5.32 -0.08 2.29 1.11 -1.14 -4.40 116.67 116.60 1kn6 s ASP 29 Ca 0.27 -2.33 -0.21 0.00 0.18 0.00 0.00 52.55 50.46 1kn6 s ASP 29 Cb -0.01 -1.87 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 1kn6 s ASP 29 CO 0.17 -0.50 0.61 -0.22 1.18 0.00 0.00 175.17 176.41 1kn6 s LEU 30 N 0.71 4.31 -0.30 1.23 1.98 -1.26 -0.99 118.68 124.36 1kn6 s LEU 30 Ca 0.11 1.05 -0.01 0.00 -2.89 0.00 0.00 54.13 52.40 1kn6 s LEU 30 Cb -0.22 -2.93 0.13 0.00 0.66 0.00 0.00 46.19 43.83 1kn6 s LEU 30 CO -0.04 -0.06 0.26 -0.76 -1.89 0.00 0.00 176.35 173.87 1kn6 s LEU 31 N 0.66 0.02 -0.66 -0.68 2.01 0.33 -4.89 118.68 115.47 1kn6 s LEU 31 Ca 0.33 -1.06 0.05 0.00 0.01 0.00 0.00 54.13 53.46 1kn6 s LEU 31 Cb -0.17 0.27 0.18 0.00 0.01 0.00 0.00 46.19 46.49 1kn6 s LEU 31 CO 0.15 -0.38 0.52 0.61 1.01 0.00 0.00 176.35 178.26 1kn6 n GLY 32 N 5.10 3.93 2.48 -3.19 0.00 -1.26 -2.47 105.19 109.79 1kn6 n GLY 32 Ca -0.01 -2.47 -0.15 0.00 0.00 0.00 0.00 46.02 43.39 1kn6 n GLY 32 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1kn6 n GLN 33 N 1.86 0.80 0.10 1.61 7.27 -1.25 -4.71 117.38 123.07 1kn6 n GLN 33 Ca 0.23 -2.47 -0.16 0.00 0.07 0.00 0.00 57.00 54.67 1kn6 n GLN 33 Cb 0.38 -1.35 -0.13 0.00 2.41 0.00 0.00 30.24 31.55 1kn6 n GLN 33 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1kn6 h ILE 34 N 2.42 1.50 0.00 1.69 5.03 -1.91 -3.48 117.51 122.76 1kn6 h ILE 34 Ca -0.04 -3.02 0.00 0.00 -0.12 0.00 0.00 64.86 61.68 1kn6 h ILE 34 Cb 0.98 2.90 0.00 0.00 -3.03 0.00 0.00 36.82 37.67 1kn6 h ILE 34 CO 0.37 0.88 0.00 0.61 -0.68 0.00 0.00 178.15 179.33 1kn6 n GLY 35 N 1.48 2.32 0.00 5.37 0.00 -1.26 -4.84 105.19 108.26 1kn6 n GLY 35 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1kn6 n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kn6 n SER 36 N 1.48 0.00 0.09 1.61 2.88 -1.26 -3.48 113.62 114.95 1kn6 n SER 36 Ca 0.00 0.83 0.13 0.00 -1.33 0.00 0.00 58.87 58.50 1kn6 n SER 36 Cb 0.00 -0.33 0.43 0.00 -0.75 0.00 0.00 64.21 63.56 1kn6 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kn6 n LEU 37 N -1.55 0.72 -2.95 2.46 -0.00 -1.26 -4.98 117.00 109.43 1kn6 n LEU 37 Ca 0.00 0.57 -0.27 0.00 -0.00 0.00 0.00 56.01 56.31 1kn6 n LEU 37 Cb 0.00 -0.34 0.03 0.00 -0.00 0.00 0.00 43.42 43.11 1kn6 n LEU 37 CO 0.00 -0.16 -0.25 -1.84 -0.00 0.00 0.00 177.39 175.14 1kn6 n GLU 38 N -2.17 -1.32 0.00 1.47 0.28 -1.23 -4.66 120.64 113.01 1kn6 n GLU 38 Ca 0.06 1.05 0.00 0.00 -0.16 0.00 0.00 57.16 58.10 1kn6 n GLU 38 Cb 0.42 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.84 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 0.27 0.00 -4.74 -1.84 0.23 -1.26 -4.74 115.26 103.18 1kn6 n ASN 39 Ca -0.06 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.61 1kn6 n ASN 39 Cb 0.53 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.27 1kn6 n ASN 39 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 1kn6 n HIS 40 N 0.00 2.28 -3.70 -2.53 -0.00 -1.26 0.43 115.22 110.44 1kn6 n HIS 40 Ca 0.00 0.43 -0.11 0.00 0.46 0.00 0.00 57.72 58.50 1kn6 n HIS 40 Cb 0.00 -2.36 -0.11 0.00 -0.12 0.00 0.00 29.99 27.40 1kn6 n HIS 40 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1kn6 s TYR 41 N -1.29 -0.57 0.08 1.57 1.51 0.76 -3.78 117.35 115.63 1kn6 s TYR 41 Ca 0.72 1.21 0.05 0.00 -1.01 0.00 0.00 57.07 58.04 1kn6 s TYR 41 Cb -0.41 0.22 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1kn6 s TYR 41 CO 0.49 -0.34 -0.13 -0.48 -1.11 0.00 0.00 175.55 173.98 1kn6 s LEU 42 N 1.51 2.32 0.05 -1.29 2.34 -1.03 -0.59 118.68 121.99 1kn6 s LEU 42 Ca -0.08 -0.68 0.07 0.00 0.06 0.00 0.00 54.13 53.50 1kn6 s LEU 42 Cb -0.09 -0.48 -0.03 0.00 -0.56 0.00 0.00 46.19 45.02 1kn6 s LEU 42 CO -0.12 -0.12 -0.17 -0.36 -1.06 0.00 0.00 176.35 174.52 1kn6 s PHE 43 N -1.59 2.58 -0.22 3.48 0.40 0.23 0.12 117.98 122.99 1kn6 s PHE 43 Ca 0.01 -0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1kn6 s PHE 43 Cb -0.08 -1.45 0.10 0.00 0.51 0.00 0.00 43.02 42.10 1kn6 s PHE 43 CO 0.02 0.28 0.25 0.15 0.70 0.00 0.00 175.22 176.62 1kn6 s LYS 44 N -1.56 0.23 -0.50 0.44 3.01 -0.17 -0.33 119.74 120.86 1kn6 s LYS 44 Ca 0.15 0.17 0.07 0.00 -1.01 0.00 0.00 55.97 55.35 1kn6 s LYS 44 Cb -0.11 -1.05 0.19 0.00 -1.01 0.00 0.00 37.83 35.85 1kn6 s LYS 44 CO 0.06 -0.72 0.69 -1.58 0.51 0.00 0.00 175.35 174.31 1kn6 s HIS 45 N 2.35 -1.41 0.00 3.18 2.46 -1.26 -2.90 115.29 117.71 1kn6 s HIS 45 Ca 0.08 -0.63 0.00 0.00 0.47 0.00 0.00 55.06 54.98 1kn6 s HIS 45 Cb -0.15 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.51 1kn6 s HIS 45 CO -0.16 -1.23 0.00 1.63 -2.47 0.00 0.00 174.74 172.51 1kn6 n LYS 46 N 3.09 0.00 -1.51 2.88 4.76 -1.26 -4.90 118.16 121.22 1kn6 n LYS 46 Ca 0.18 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.48 1kn6 n LYS 46 Cb 0.55 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.69 1kn6 n LYS 46 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1kn6 n SER 47 N 0.00 -3.89 -0.03 4.39 7.64 -1.26 -4.76 113.62 115.71 1kn6 n SER 47 Ca 0.00 0.34 -0.08 0.00 1.01 0.00 0.00 58.87 60.15 1kn6 n SER 47 Cb 0.00 -3.56 -0.03 0.00 -1.01 0.00 0.00 64.21 59.62 1kn6 n SER 47 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1kn6 n HIS 48 N -2.10 0.00 -1.06 1.43 8.25 -1.26 -5.08 115.22 115.40 1kn6 n HIS 48 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1kn6 n HIS 48 Cb 0.49 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1kn6 n HIS 48 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1kn6 n PRO 49 N -3.57 1.13 -2.22 -0.41 -0.05 -1.26 -5.05 135.00 123.58 1kn6 n PRO 49 Ca -0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.25 1kn6 n PRO 49 Cb 0.47 0.00 0.05 0.00 -0.05 0.00 0.00 33.50 33.97 1kn6 n PRO 49 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32 1kn6 n ARG 50 N -0.40 2.09 -2.39 0.54 0.63 -1.26 -4.99 116.66 110.88 1kn6 n ARG 50 Ca 0.00 -3.51 -0.03 0.00 -0.92 0.00 0.00 57.85 53.39 1kn6 n ARG 50 Cb 0.00 -1.62 0.02 0.00 0.45 0.00 0.00 32.46 31.31 1kn6 n ARG 50 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1kn6 n ARG 51 N -0.54 -0.93 0.00 -0.14 1.74 -1.26 -4.81 116.66 110.72 1kn6 n ARG 51 Ca 0.20 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1kn6 n ARG 51 Cb 0.89 -3.85 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 1kn6 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1kn6 n SER 52 N -1.84 0.00 -4.57 0.55 7.64 -1.26 -2.35 113.62 111.79 1kn6 n SER 52 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 1kn6 n SER 52 Cb 0.53 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 1kn6 n SER 52 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1kn6 n ARG 53 N 0.00 0.35 -1.03 1.43 3.00 -1.26 -4.61 116.66 114.53 1kn6 n ARG 53 Ca 0.00 -1.22 0.14 0.00 -0.01 0.00 0.00 57.85 56.75 1kn6 n ARG 53 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 32.46 28.63 1kn6 n ARG 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1kn6 n ARG 54 N 8.48 -2.07 -2.61 5.56 5.12 -1.26 -4.78 116.66 125.10 1kn6 n ARG 54 Ca 0.44 1.38 -0.13 0.00 -1.93 0.00 0.00 57.85 57.60 1kn6 n ARG 54 Cb 0.45 -2.53 0.01 0.00 -1.16 0.00 0.00 32.46 29.22 1kn6 n ARG 54 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1kn6 n SER 55 N -4.35 1.77 -0.09 0.55 7.64 -1.25 -4.58 113.62 113.31 1kn6 n SER 55 Ca 0.01 -1.99 -0.04 0.00 1.01 0.00 0.00 58.87 57.85 1kn6 n SER 55 Cb 0.62 -0.07 0.17 0.00 -1.01 0.00 0.00 64.21 63.91 1kn6 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kn6 h ALA 56 N 0.61 1.10 -0.48 -0.43 0.00 -1.91 -3.48 119.26 114.67 1kn6 h ALA 56 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1kn6 h ALA 56 Cb 0.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1kn6 h ALA 56 CO 0.28 0.57 0.00 1.47 0.00 0.00 0.00 179.25 181.57 1kn6 n LEU 57 N -4.20 0.00 -1.77 0.00 -0.00 -1.26 -4.67 117.00 105.10 1kn6 n LEU 57 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.98 1kn6 n LEU 57 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.73 1kn6 n LEU 57 CO 0.42 -0.32 -0.05 1.57 -0.00 0.00 0.00 177.39 179.01 1kn6 n HIS 58 N -0.32 -1.25 -1.06 1.47 -0.00 -1.26 -4.54 115.22 108.26 1kn6 n HIS 58 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1kn6 n HIS 58 Cb 0.00 -1.61 0.00 0.00 -0.12 0.00 0.00 29.99 28.26 1kn6 n HIS 58 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 1kn6 n ILE 59 N -2.03 0.00 -1.02 3.57 0.00 -1.26 -4.71 119.36 113.91 1kn6 n ILE 59 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 62.75 62.72 1kn6 n ILE 59 Cb 0.34 1.39 0.32 0.00 0.00 0.00 0.00 39.64 41.69 1kn6 n ILE 59 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1kn6 n THR 60 N 0.00 2.70 0.01 9.51 -2.24 -1.26 -3.75 114.28 119.24 1kn6 n THR 60 Ca 0.00 -1.70 -0.03 0.00 -2.27 0.00 0.00 64.05 60.05 1kn6 n THR 60 Cb 0.38 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.06 0.09 0.16 -0.78 0.00 -1.26 -4.51 118.16 111.80 1kn6 n LYS 61 Ca 0.31 0.04 0.12 0.00 -0.00 0.00 0.00 58.31 58.78 1kn6 n LYS 61 Cb 1.18 -0.65 0.17 0.00 -0.00 0.00 0.00 35.03 35.74 1kn6 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kn6 h ARG 62 N -0.15 0.00 0.10 -1.58 2.47 -1.92 -3.14 114.38 110.15 1kn6 h ARG 62 Ca -0.05 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1kn6 h ARG 62 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1kn6 h ARG 62 CO -0.03 0.00 -0.05 1.25 0.56 0.00 0.00 179.97 181.70 1kn6 h LEU 63 N 0.00 -0.11 -0.80 3.04 5.85 -1.85 -1.92 115.31 119.52 1kn6 h LEU 63 Ca 0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.87 1kn6 h LEU 63 Cb 0.93 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 1kn6 h LEU 63 CO 0.00 0.11 0.37 0.77 -0.34 0.00 0.00 178.44 179.35 1kn6 h SER 64 N -0.52 0.40 -0.47 1.25 4.64 -1.79 1.78 113.55 118.85 1kn6 h SER 64 Ca -0.01 0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1kn6 h SER 64 Cb 0.10 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1kn6 h SER 64 CO 0.02 0.16 0.19 -0.78 -0.87 0.00 0.00 176.83 175.55 1kn6 h ASP 65 N 0.53 0.65 0.35 4.97 3.58 -1.67 -2.70 116.42 122.12 1kn6 h ASP 65 Ca 0.44 -0.17 -0.33 0.00 0.42 0.00 0.00 57.03 57.39 1kn6 h ASP 65 Cb 0.64 -0.17 0.02 0.00 1.72 0.00 0.00 39.33 41.55 1kn6 h ASP 65 CO -0.38 0.64 -1.49 0.44 -2.88 0.00 0.00 179.24 175.56 1kn6 h ASP 66 N 0.61 0.67 0.00 2.28 5.19 -0.40 -3.27 116.42 121.51 1kn6 h ASP 66 Ca 0.16 -0.78 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 1kn6 h ASP 66 Cb 0.20 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1kn6 h ASP 66 CO -0.01 1.63 0.00 0.47 -3.12 0.00 0.00 179.24 178.21 1kn6 n ASP 67 N -3.63 0.00 -0.03 6.45 9.92 0.59 -3.49 116.55 126.37 1kn6 n ASP 67 Ca -0.17 -0.96 0.24 0.00 -0.53 0.00 0.00 54.79 53.37 1kn6 n ASP 67 Cb 1.08 0.00 0.62 0.00 -0.64 0.00 0.00 41.12 42.18 1kn6 n ASP 67 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1kn6 h ARG 68 N 0.00 0.00 -0.31 -1.24 -0.00 -1.53 -2.62 114.38 108.68 1kn6 h ARG 68 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.98 60.01 1kn6 h ARG 68 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 29.93 1kn6 h ARG 68 CO 0.00 0.00 -0.18 1.33 -0.00 0.00 0.00 179.97 181.12 1kn6 n VAL 69 N -3.49 -0.21 0.00 0.08 0.24 -1.23 -4.60 118.33 109.12 1kn6 n VAL 69 Ca 0.14 0.85 0.00 0.00 -2.04 0.00 0.00 64.34 63.29 1kn6 n VAL 69 Cb 1.00 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 1kn6 n VAL 69 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1kn6 n THR 70 N -4.12 0.00 -3.74 3.34 -1.04 -0.99 -4.92 114.28 102.81 1kn6 n THR 70 Ca 0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1kn6 n THR 70 Cb 0.08 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.51 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 -0.34 -0.17 -0.16 -1.42 1.48 -1.21 -5.10 118.94 112.03 1kn6 s TRP 71 Ca 0.00 0.18 -0.05 0.00 -1.06 0.00 0.00 56.10 55.17 1kn6 s TRP 71 Cb 0.00 0.12 0.08 0.00 -1.16 0.00 0.00 33.47 32.50 1kn6 s TRP 71 CO 0.00 -0.46 0.31 0.00 -4.06 0.00 0.00 176.95 172.75 1kn6 s ALA 72 N -1.89 -0.74 0.05 2.67 0.00 -1.26 -3.31 121.76 117.28 1kn6 s ALA 72 Ca -0.10 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.88 1kn6 s ALA 72 Cb -0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1kn6 s ALA 72 CO 0.01 -0.76 0.02 -2.00 0.00 0.00 0.00 175.76 173.03 1kn6 s GLU 73 N 2.48 0.64 0.16 0.00 2.12 -1.19 -4.98 118.70 117.92 1kn6 s GLU 73 Ca 0.02 -1.12 0.10 0.00 0.36 0.00 0.00 54.97 54.32 1kn6 s GLU 73 Cb -0.13 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 1kn6 s GLU 73 CO -0.10 -0.14 -0.22 1.14 -0.54 0.00 0.00 175.26 175.40 1kn6 s GLN 74 N -3.73 1.34 -0.02 4.30 -2.07 -1.26 -1.68 119.66 116.55 1kn6 s GLN 74 Ca 0.05 -1.40 0.05 0.00 -1.82 0.00 0.00 55.36 52.25 1kn6 s GLN 74 Cb 0.06 -1.57 -0.01 0.00 -1.09 0.00 0.00 33.01 30.40 1kn6 s GLN 74 CO -0.09 0.34 -0.18 -0.65 -1.32 0.00 0.00 175.29 173.39 1kn6 s GLN 75 N -2.52 1.47 0.00 9.60 -0.21 -1.13 -4.92 119.66 121.95 1kn6 s GLN 75 Ca 0.16 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1kn6 s GLN 75 Cb -0.08 -1.42 0.00 0.00 1.00 0.00 0.00 33.01 32.52 1kn6 s GLN 75 CO 0.07 0.38 0.49 0.66 -2.12 0.00 0.00 175.29 174.77