#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 -4.37 0.31 -1.26 -4.36 118.33 108.64 1kn6 n VAL 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kn6 n VAL 5 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1kn6 n VAL 5 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1kn6 n ASN 6 N -1.72 0.00 -3.95 4.52 2.85 -1.26 -4.58 115.26 111.11 1kn6 n ASN 6 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1kn6 n ASN 6 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1kn6 n ASN 6 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1kn6 s GLU 7 N 0.00 1.55 -0.05 1.20 1.03 -1.19 -4.72 118.70 116.52 1kn6 s GLU 7 Ca 0.00 -1.32 0.05 0.00 0.03 0.00 0.00 54.97 53.73 1kn6 s GLU 7 Cb 0.00 0.45 -0.01 0.00 -0.80 0.00 0.00 34.13 33.78 1kn6 s GLU 7 CO 0.00 -0.64 -0.22 -0.46 -1.33 0.00 0.00 175.26 172.61 1kn6 s TRP 8 N -3.94 2.20 0.10 4.83 -0.00 -1.02 -2.95 118.94 118.16 1kn6 s TRP 8 Ca 0.24 -0.66 0.05 0.00 -0.00 0.00 0.00 56.10 55.73 1kn6 s TRP 8 Cb -0.00 -1.45 -0.03 0.00 -0.00 0.00 0.00 33.47 31.98 1kn6 s TRP 8 CO 0.10 -0.21 -0.14 0.00 -0.00 0.00 0.00 176.95 176.70 1kn6 s ALA 9 N -0.07 1.32 -0.15 5.86 0.00 -1.14 -0.86 121.76 126.72 1kn6 s ALA 9 Ca -0.04 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 1kn6 s ALA 9 Cb -0.13 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.95 1kn6 s ALA 9 CO 0.03 0.12 0.39 0.00 0.00 0.00 0.00 175.76 176.31 1kn6 s ALA 10 N -1.76 -0.97 -0.23 0.00 0.00 0.33 -2.98 121.76 116.15 1kn6 s ALA 10 Ca 0.04 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.90 1kn6 s ALA 10 Cb -0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1kn6 s ALA 10 CO 0.02 -0.19 0.61 -2.00 0.00 0.00 0.00 175.76 174.21 1kn6 s GLU 11 N 0.22 4.14 -0.16 0.00 -6.30 -1.18 0.12 118.70 115.53 1kn6 s GLU 11 Ca -0.00 0.54 -0.08 0.00 -2.50 0.00 0.00 54.97 52.93 1kn6 s GLU 11 Cb -0.03 -3.62 0.07 0.00 0.00 0.00 0.00 34.13 30.55 1kn6 s GLU 11 CO 0.00 -0.34 0.37 -1.50 0.02 0.00 0.00 175.26 173.82 1kn6 s ILE 12 N 2.25 -0.24 -0.09 -3.70 -1.16 -0.70 -3.47 121.20 114.10 1kn6 s ILE 12 Ca 0.26 0.14 -0.26 0.00 -0.51 0.00 0.00 60.65 60.28 1kn6 s ILE 12 Cb -0.16 -0.58 -0.25 0.00 0.61 0.00 0.00 42.46 42.09 1kn6 s ILE 12 CO 0.09 0.06 0.93 -0.65 -2.81 0.00 0.00 174.94 172.56 1kn6 h PRO 13 N 7.55 0.10 0.00 3.50 0.11 -1.90 -3.35 132.00 138.01 1kn6 h PRO 13 Ca -0.29 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1kn6 h PRO 13 Cb 1.15 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1kn6 h PRO 13 CO 0.24 0.95 -1.50 0.41 -0.21 0.00 0.00 178.00 177.89 1kn6 n GLY 14 N 1.27 -0.81 1.10 -0.55 0.00 -1.26 -4.51 105.19 100.43 1kn6 n GLY 14 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.43 0.99 0.00 -0.02 0.00 -1.26 -4.25 105.19 102.08 1kn6 n GLY 15 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1kn6 n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kn6 n GLN 16 N 0.90 0.00 0.28 1.61 6.02 -1.26 0.21 117.38 125.14 1kn6 n GLN 16 Ca 0.00 0.32 0.18 0.00 -0.01 0.00 0.00 57.00 57.49 1kn6 n GLN 16 Cb 0.23 -1.26 0.95 0.00 1.02 0.00 0.00 30.24 31.18 1kn6 n GLN 16 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1kn6 h GLU 17 N 0.00 0.00 0.15 -1.09 5.08 -1.98 -0.01 114.58 116.72 1kn6 h GLU 17 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1kn6 h GLU 17 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1kn6 h GLU 17 CO 0.00 0.00 -1.33 0.00 -1.00 0.00 0.00 179.01 176.68 1kn6 h ALA 18 N 1.85 0.09 0.94 3.43 0.00 -1.79 -3.08 119.26 120.70 1kn6 h ALA 18 Ca 0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 54.91 53.97 1kn6 h ALA 18 Cb 0.25 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1kn6 h ALA 18 CO -0.00 0.96 -0.45 0.00 0.00 0.00 0.00 179.25 179.76 1kn6 h ALA 19 N 0.50 -1.26 -0.15 0.00 0.00 0.44 -1.80 119.26 117.00 1kn6 h ALA 19 Ca -0.17 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1kn6 h ALA 19 Cb 2.01 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 20.28 1kn6 h ALA 19 CO 0.21 -1.21 0.24 0.66 0.00 0.00 0.00 179.25 179.15 1kn6 h SER 20 N -1.27 0.00 1.51 0.00 4.64 -1.59 0.42 113.55 117.26 1kn6 h SER 20 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1kn6 h SER 20 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1kn6 h SER 20 CO 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.17 1kn6 h ALA 21 N 1.67 1.00 0.00 5.18 0.00 -1.24 -3.15 119.26 122.72 1kn6 h ALA 21 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1kn6 h ALA 21 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1kn6 h ALA 21 CO -0.00 0.00 -0.00 0.82 0.00 0.00 0.00 179.25 180.07 1kn6 h ILE 22 N 0.00 0.00 -1.43 0.00 2.04 0.38 -3.02 117.51 115.48 1kn6 h ILE 22 Ca 0.00 -0.03 0.43 0.00 1.00 0.00 0.00 64.86 66.27 1kn6 h ILE 22 Cb 0.75 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.74 1kn6 h ILE 22 CO 0.00 0.00 0.98 0.00 0.00 0.00 0.00 178.15 179.13 1kn6 h ALA 23 N -1.97 3.05 -0.22 1.87 0.00 -1.70 1.02 119.26 121.30 1kn6 h ALA 23 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1kn6 h ALA 23 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1kn6 h ALA 23 CO 0.00 -1.58 -0.52 0.93 0.00 0.00 0.00 179.25 178.08 1kn6 h GLU 24 N 0.08 0.64 0.00 0.00 5.08 -1.68 0.49 114.58 119.20 1kn6 h GLU 24 Ca 0.77 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1kn6 h GLU 24 Cb 2.70 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.99 1kn6 h GLU 24 CO -0.22 1.01 0.00 -1.91 -1.00 0.00 0.00 179.01 176.89 1kn6 n GLU 25 N -3.98 0.00 0.15 2.33 4.07 0.34 -4.24 120.64 119.32 1kn6 n GLU 25 Ca -0.03 0.23 0.19 0.00 -0.06 0.00 0.00 57.16 57.49 1kn6 n GLU 25 Cb 0.60 -0.73 0.79 0.00 -0.06 0.00 0.00 31.44 32.03 1kn6 n GLU 25 CO 0.00 0.00 0.00 1.37 -0.06 0.00 0.00 177.13 178.44 1kn6 h LEU 26 N 0.00 0.00 -0.43 4.31 -0.00 -1.55 -3.46 115.31 114.18 1kn6 h LEU 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1kn6 h LEU 26 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1kn6 h LEU 26 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1kn6 n GLY 27 N -1.43 0.62 2.84 0.17 0.00 -0.90 -4.76 105.19 101.73 1kn6 n GLY 27 Ca 0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.13 -1.44 -3.61 1.61 4.02 0.17 -4.84 117.16 112.94 1kn6 n TYR 28 Ca 0.00 -1.87 -0.38 0.00 -0.01 0.00 0.00 57.90 55.64 1kn6 n TYR 28 Cb 0.05 0.51 -0.11 0.00 -0.02 0.00 0.00 39.34 39.77 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 -2.78 5.82 -0.02 7.72 1.11 -0.86 -4.40 116.67 123.26 1kn6 s ASP 29 Ca 0.22 -0.18 -0.21 0.00 0.18 0.00 0.00 52.55 52.56 1kn6 s ASP 29 Cb -0.01 -2.08 -0.05 0.00 1.07 0.00 0.00 42.92 41.85 1kn6 s ASP 29 CO 0.16 -0.10 0.61 -0.22 1.18 0.00 0.00 175.17 176.80 1kn6 s LEU 30 N 1.71 4.40 -0.32 1.23 1.98 -1.26 -2.17 118.68 124.24 1kn6 s LEU 30 Ca 0.06 1.16 -0.00 0.00 -2.89 0.00 0.00 54.13 52.46 1kn6 s LEU 30 Cb -0.16 -2.94 0.13 0.00 0.66 0.00 0.00 46.19 43.88 1kn6 s LEU 30 CO 0.09 0.07 0.26 -0.76 -1.89 0.00 0.00 176.35 174.11 1kn6 s LEU 31 N -0.02 0.26 -0.61 -0.68 2.01 0.13 -4.94 118.68 114.83 1kn6 s LEU 31 Ca 0.32 -1.41 -0.03 0.00 0.01 0.00 0.00 54.13 53.02 1kn6 s LEU 31 Cb -0.18 0.12 0.24 0.00 0.01 0.00 0.00 46.19 46.38 1kn6 s LEU 31 CO 0.17 -0.35 2.30 0.61 1.01 0.00 0.00 176.35 180.10 1kn6 n GLY 32 N 4.74 4.96 2.91 -3.19 0.00 -1.26 -0.14 105.19 113.21 1kn6 n GLY 32 Ca 0.04 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1kn6 n GLY 32 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kn6 s GLN 33 N -2.88 0.41 0.04 1.61 -2.07 -0.79 -3.10 119.66 112.88 1kn6 s GLN 33 Ca 0.54 0.15 0.28 0.00 -1.82 0.00 0.00 55.36 54.51 1kn6 s GLN 33 Cb 0.40 -0.33 1.03 0.00 -1.09 0.00 0.00 33.01 33.03 1kn6 s GLN 33 CO -0.23 -1.00 1.81 0.44 -1.32 0.00 0.00 175.29 174.98 1kn6 n ILE 34 N 5.35 0.12 0.00 3.63 -6.64 -1.25 -4.96 119.36 115.61 1kn6 n ILE 34 Ca 0.00 -0.06 0.00 0.00 -1.77 0.00 0.00 62.75 60.92 1kn6 n ILE 34 Cb 0.49 -0.40 0.00 0.00 -1.44 0.00 0.00 39.64 38.30 1kn6 n ILE 34 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1kn6 n GLY 35 N 1.46 2.59 0.35 3.28 0.00 -1.26 -4.80 105.19 106.81 1kn6 n GLY 35 Ca 0.06 -0.72 0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.00 1.61 0.02 -2.03 -3.44 113.55 109.71 1kn6 h SER 36 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kn6 h SER 36 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kn6 h SER 36 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1kn6 n LEU 37 N -3.19 0.00 -3.44 5.07 -0.00 -1.26 -5.13 117.00 109.06 1kn6 n LEU 37 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.78 1kn6 n LEU 37 Cb 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.79 1kn6 n LEU 37 CO 0.18 0.00 -0.27 -1.61 -0.00 0.00 0.00 177.39 175.70 1kn6 s GLU 38 N 1.06 0.53 0.00 1.47 2.02 -1.26 -4.05 118.70 118.47 1kn6 s GLU 38 Ca 0.00 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.94 1kn6 s GLU 38 Cb 0.00 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 33.15 1kn6 s GLU 38 CO 0.00 -1.18 0.00 0.27 0.02 0.00 0.00 175.26 174.37 1kn6 n ASN 39 N 4.28 0.00 -4.58 -0.19 2.04 -1.18 -4.96 115.26 110.67 1kn6 n ASN 39 Ca 0.09 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.81 1kn6 n ASN 39 Cb 0.40 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.63 1kn6 n ASN 39 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 1kn6 s HIS 40 N -0.12 2.41 0.13 -2.53 2.46 -1.26 -1.71 115.29 114.68 1kn6 s HIS 40 Ca 0.00 0.51 0.01 0.00 0.47 0.00 0.00 55.06 56.05 1kn6 s HIS 40 Cb 0.00 -4.41 -0.04 0.00 -0.13 0.00 0.00 32.58 28.00 1kn6 s HIS 40 CO 0.00 -1.84 0.28 0.71 -2.47 0.00 0.00 174.74 171.43 1kn6 s TYR 41 N 5.59 3.49 -0.04 3.88 1.51 0.32 -1.88 117.35 130.21 1kn6 s TYR 41 Ca 0.51 0.18 -0.16 0.00 -1.01 0.00 0.00 57.07 56.59 1kn6 s TYR 41 Cb -0.10 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1kn6 s TYR 41 CO 0.27 0.52 0.36 -0.48 -1.11 0.00 0.00 175.55 175.10 1kn6 s LEU 42 N -3.07 0.64 0.12 -1.29 2.34 0.80 0.12 118.68 118.34 1kn6 s LEU 42 Ca 0.35 0.27 0.09 0.00 0.06 0.00 0.00 54.13 54.90 1kn6 s LEU 42 Cb -0.11 1.40 -0.04 0.00 -0.56 0.00 0.00 46.19 46.88 1kn6 s LEU 42 CO 0.28 -0.41 -0.21 -0.36 -1.06 0.00 0.00 176.35 174.59 1kn6 s PHE 43 N -1.04 1.87 -0.09 3.48 0.08 -0.04 0.17 117.98 122.40 1kn6 s PHE 43 Ca -0.11 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.48 1kn6 s PHE 43 Cb -0.04 -1.01 0.05 0.00 -0.57 0.00 0.00 43.02 41.45 1kn6 s PHE 43 CO 0.04 0.25 0.21 0.15 -0.10 0.00 0.00 175.22 175.77 1kn6 s LYS 44 N -2.07 0.15 -0.41 0.44 3.01 -0.92 -2.42 119.74 117.51 1kn6 s LYS 44 Ca 0.09 0.51 0.04 0.00 -1.01 0.00 0.00 55.97 55.60 1kn6 s LYS 44 Cb -0.09 -0.14 0.29 0.00 -1.01 0.00 0.00 37.83 36.87 1kn6 s LYS 44 CO 0.05 -0.19 1.15 1.58 0.51 0.00 0.00 175.35 178.44 1kn6 n HIS 45 N 4.48 -1.96 -3.02 3.18 -0.00 -1.26 -2.03 115.22 114.61 1kn6 n HIS 45 Ca -0.21 -1.42 -0.02 0.00 0.46 0.00 0.00 57.72 56.54 1kn6 n HIS 45 Cb 0.52 1.40 -0.00 0.00 -0.12 0.00 0.00 29.99 31.79 1kn6 n HIS 45 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1kn6 s LYS 46 N 0.30 0.93 -0.18 1.57 0.00 -1.26 -4.99 119.74 116.10 1kn6 s LYS 46 Ca 0.25 -0.63 0.16 0.00 0.00 0.00 0.00 55.97 55.75 1kn6 s LYS 46 Cb 0.26 0.01 0.66 0.00 0.00 0.00 0.00 37.83 38.76 1kn6 s LYS 46 CO -0.14 -1.25 1.57 0.45 0.00 0.00 0.00 175.35 175.98 1kn6 n SER 47 N 3.77 4.70 -0.01 0.03 2.88 -1.26 -4.63 113.62 119.10 1kn6 n SER 47 Ca 0.14 -2.85 -0.01 0.00 -1.33 0.00 0.00 58.87 54.82 1kn6 n SER 47 Cb 0.56 -0.59 -0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1kn6 n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kn6 n HIS 48 N 0.23 0.12 -0.29 0.66 -0.00 -1.26 -5.01 115.22 109.66 1kn6 n HIS 48 Ca 0.24 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 1kn6 n HIS 48 Cb 0.99 -0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.70 1kn6 n HIS 48 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1kn6 n PRO 49 N -2.69 -0.50 -0.03 -1.40 -0.04 -1.26 -5.06 135.00 124.02 1kn6 n PRO 49 Ca -0.01 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1kn6 n PRO 49 Cb 0.05 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.49 1kn6 n PRO 49 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1kn6 n ARG 50 N -1.10 0.27 -3.15 0.54 0.63 -1.26 -5.00 116.66 107.59 1kn6 n ARG 50 Ca 0.00 0.11 0.06 0.00 -0.92 0.00 0.00 57.85 57.09 1kn6 n ARG 50 Cb 0.00 -0.97 -0.02 0.00 0.45 0.00 0.00 32.46 31.92 1kn6 n ARG 50 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1kn6 s ARG 51 N -2.43 0.08 -0.83 -0.14 1.70 -1.26 -4.54 118.95 111.53 1kn6 s ARG 51 Ca -0.15 0.14 -0.02 0.00 -0.47 0.00 0.00 55.73 55.23 1kn6 s ARG 51 Cb 0.03 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1kn6 s ARG 51 CO 0.22 -0.08 0.24 0.43 -1.08 0.00 0.00 175.30 175.02 1kn6 n SER 52 N 5.45 -3.82 -0.06 -2.89 7.64 -1.26 -4.87 113.62 113.81 1kn6 n SER 52 Ca -0.09 -0.11 -0.10 0.00 1.01 0.00 0.00 58.87 59.58 1kn6 n SER 52 Cb 0.54 -2.80 -0.05 0.00 -1.01 0.00 0.00 64.21 60.89 1kn6 n SER 52 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1kn6 n ARG 53 N -2.34 0.28 -3.93 1.43 0.63 -1.26 -4.60 116.66 106.87 1kn6 n ARG 53 Ca -0.08 0.08 -0.31 0.00 -0.92 0.00 0.00 57.85 56.63 1kn6 n ARG 53 Cb 0.57 -1.14 -0.15 0.00 0.45 0.00 0.00 32.46 32.19 1kn6 n ARG 53 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1kn6 s ARG 54 N -2.23 1.32 0.20 -0.14 0.52 -1.26 -4.77 118.95 112.59 1kn6 s ARG 54 Ca -0.16 -1.54 -0.31 0.00 -0.52 0.00 0.00 55.73 53.20 1kn6 s ARG 54 Cb 0.05 -2.79 -0.10 0.00 0.52 0.00 0.00 34.95 32.62 1kn6 s ARG 54 CO 0.25 -0.90 1.56 -1.12 0.02 0.00 0.00 175.30 175.11 1kn6 s SER 55 N 1.16 6.55 0.00 0.23 0.01 -1.26 -1.74 113.70 118.64 1kn6 s SER 55 Ca 0.08 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.04 1kn6 s SER 55 Cb -0.19 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1kn6 s SER 55 CO -0.12 -0.83 0.00 0.00 0.41 0.00 0.00 173.24 172.70 1kn6 n ALA 56 N 3.38 0.00 0.06 1.44 0.00 -1.26 -4.84 120.51 119.28 1kn6 n ALA 56 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1kn6 n ALA 56 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1kn6 n ALA 56 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1kn6 n LEU 57 N 0.00 -1.04 0.16 0.00 -0.00 -1.26 -4.93 117.00 109.93 1kn6 n LEU 57 Ca 0.00 0.23 0.12 0.00 -0.00 0.00 0.00 56.01 56.36 1kn6 n LEU 57 Cb 0.00 1.32 0.56 0.00 -0.00 0.00 0.00 43.42 45.30 1kn6 n LEU 57 CO 0.00 -0.26 0.86 1.12 -0.00 0.00 0.00 177.39 179.10 1kn6 h HIS 58 N 0.00 0.00 -0.21 1.47 2.07 -1.97 -0.81 115.15 115.70 1kn6 h HIS 58 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1kn6 h HIS 58 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1kn6 h HIS 58 CO 0.00 0.00 0.00 1.51 -3.07 0.00 0.00 177.93 176.37 1kn6 n ILE 59 N -2.30 0.27 -1.48 6.12 0.00 -1.26 -3.76 119.36 116.94 1kn6 n ILE 59 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 62.75 62.24 1kn6 n ILE 59 Cb 0.14 0.32 0.16 0.00 0.00 0.00 0.00 39.64 40.25 1kn6 n ILE 59 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1kn6 n THR 60 N 0.34 2.81 0.07 9.51 5.66 -0.31 -4.12 114.28 128.24 1kn6 n THR 60 Ca 0.15 -2.85 0.00 0.00 -3.05 0.00 0.00 64.05 58.30 1kn6 n THR 60 Cb 0.31 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 1kn6 n THR 60 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1kn6 n LYS 61 N -1.05 0.00 0.00 1.09 -0.00 -1.25 -4.85 118.16 112.10 1kn6 n LYS 61 Ca 0.43 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.89 1kn6 n LYS 61 Cb 1.09 -0.07 0.75 0.00 -0.00 0.00 0.00 35.03 36.80 1kn6 n LYS 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1kn6 n ARG 62 N -3.08 0.40 0.01 -1.58 3.00 -1.26 -2.20 116.66 111.94 1kn6 n ARG 62 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1kn6 n ARG 62 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 30.96 1kn6 n ARG 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1kn6 h LEU 63 N 0.00 -0.06 -0.79 6.15 7.12 -1.87 -2.21 115.31 123.66 1kn6 h LEU 63 Ca 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.90 1kn6 h LEU 63 Cb 0.30 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1kn6 h LEU 63 CO 0.00 0.17 -0.34 0.77 -0.13 0.00 0.00 178.44 178.91 1kn6 h SER 64 N -0.49 0.53 -0.32 1.25 4.64 -1.84 0.83 113.55 118.16 1kn6 h SER 64 Ca -0.01 -0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1kn6 h SER 64 Cb 0.05 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1kn6 h SER 64 CO 0.01 0.84 0.19 -0.78 -0.87 0.00 0.00 176.83 176.21 1kn6 h ASP 65 N 0.44 0.31 1.69 4.97 1.82 -1.60 -2.06 116.42 121.98 1kn6 h ASP 65 Ca 0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1kn6 h ASP 65 Cb 0.80 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 1kn6 h ASP 65 CO 0.07 0.22 -0.32 -0.78 -1.61 0.00 0.00 179.24 176.82 1kn6 h ASP 66 N 0.39 0.00 0.00 2.28 1.82 -1.20 -3.26 116.42 116.46 1kn6 h ASP 66 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1kn6 h ASP 66 Cb -0.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1kn6 h ASP 66 CO -0.05 0.18 0.17 -0.78 -1.61 0.00 0.00 179.24 177.14 1kn6 h ASP 67 N 0.00 0.00 -0.94 2.28 3.58 0.14 -2.57 116.42 118.91 1kn6 h ASP 67 Ca -0.01 0.00 0.27 0.00 0.42 0.00 0.00 57.03 57.71 1kn6 h ASP 67 Cb 1.14 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.16 1kn6 h ASP 67 CO 0.02 0.00 0.93 0.03 -2.88 0.00 0.00 179.24 177.34 1kn6 h ARG 68 N 0.00 0.00 -0.71 0.28 3.08 -1.59 -1.26 114.38 114.19 1kn6 h ARG 68 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1kn6 h ARG 68 Cb 0.34 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.27 1kn6 h ARG 68 CO 0.00 0.00 -0.44 -0.39 -1.07 0.00 0.00 179.97 178.07 1kn6 h VAL 69 N 0.00 0.06 0.00 2.04 -1.51 -1.78 -3.45 116.25 111.62 1kn6 h VAL 69 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.92 1kn6 h VAL 69 Cb 2.30 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 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 -5.40 0.00 -3.73 7.19 -1.04 -0.47 -4.87 114.28 105.96 1kn6 n THR 70 Ca 0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.91 1kn6 n THR 70 Cb 0.35 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.77 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 -0.28 -0.33 -0.04 -1.42 1.48 -1.23 -5.08 118.94 112.04 1kn6 s TRP 71 Ca 0.00 0.71 -0.02 0.00 -1.06 0.00 0.00 56.10 55.73 1kn6 s TRP 71 Cb 0.00 0.14 0.03 0.00 -1.16 0.00 0.00 33.47 32.48 1kn6 s TRP 71 CO 0.00 -0.32 0.05 0.00 -4.06 0.00 0.00 176.95 172.63 1kn6 s ALA 72 N -0.57 0.27 0.03 2.67 0.00 -1.26 -3.13 121.76 119.76 1kn6 s ALA 72 Ca -0.07 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1kn6 s ALA 72 Cb -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1kn6 s ALA 72 CO 0.03 -0.48 -0.12 -2.00 0.00 0.00 0.00 175.76 173.19 1kn6 s GLU 73 N 2.13 0.84 0.18 0.00 2.56 -1.16 -5.02 118.70 118.23 1kn6 s GLU 73 Ca 0.05 -0.63 0.08 0.00 0.00 0.00 0.00 54.97 54.46 1kn6 s GLU 73 Cb -0.12 -0.81 -0.04 0.00 2.00 0.00 0.00 34.13 35.16 1kn6 s GLU 73 CO -0.03 0.20 -0.01 1.14 -0.56 0.00 0.00 175.26 176.00 1kn6 s GLN 74 N -0.91 2.37 -0.07 4.30 -2.07 -1.26 -2.87 119.66 119.15 1kn6 s GLN 74 Ca 0.01 -1.14 -0.03 0.00 -1.82 0.00 0.00 55.36 52.38 1kn6 s GLN 74 Cb -0.07 -2.33 0.04 0.00 -1.09 0.00 0.00 33.01 29.56 1kn6 s GLN 74 CO 0.01 0.45 0.13 -0.65 -1.32 0.00 0.00 175.29 173.91 1kn6 s GLN 75 N -2.98 0.02 0.00 9.60 -0.21 -1.15 -5.03 119.66 119.91 1kn6 s GLN 75 Ca 0.27 0.48 0.00 0.00 0.02 0.00 0.00 55.36 56.13 1kn6 s GLN 75 Cb -0.09 -0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.63 1kn6 s GLN 75 CO 0.18 -0.27 0.00 0.66 -2.12 0.00 0.00 175.29 173.74