#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 0.31 -1.15 -2.62 118.33 112.74 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 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 -3.23 0.00 -4.45 4.52 5.15 -1.18 -4.06 115.26 112.00 1kn6 n ASN 6 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 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 1.62 -0.29 1.20 -1.05 -0.63 -4.87 118.70 114.69 1kn6 s GLU 7 Ca 0.00 -1.84 -0.20 0.00 -0.15 0.00 0.00 54.97 52.77 1kn6 s GLU 7 Cb 0.00 -1.17 -0.01 0.00 -0.44 0.00 0.00 34.13 32.50 1kn6 s GLU 7 CO 0.00 -0.01 0.64 -0.46 0.95 0.00 0.00 175.26 176.38 1kn6 s TRP 8 N -3.02 3.24 -0.13 4.83 -0.00 -1.11 -1.20 118.94 121.55 1kn6 s TRP 8 Ca 0.31 0.68 -0.01 0.00 -0.00 0.00 0.00 56.10 57.08 1kn6 s TRP 8 Cb 0.05 -2.95 -0.02 0.00 -0.00 0.00 0.00 33.47 30.56 1kn6 s TRP 8 CO 0.13 -0.43 -0.10 0.00 -0.00 0.00 0.00 176.95 176.56 1kn6 s ALA 9 N 2.59 2.75 0.15 5.86 0.00 -1.00 -1.54 121.76 130.56 1kn6 s ALA 9 Ca 0.26 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 1kn6 s ALA 9 Cb -0.15 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1kn6 s ALA 9 CO 0.11 0.26 0.37 0.00 0.00 0.00 0.00 175.76 176.49 1kn6 s ALA 10 N 0.27 -0.59 -0.27 0.00 0.00 -0.34 -3.31 121.76 117.53 1kn6 s ALA 10 Ca -0.07 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1kn6 s ALA 10 Cb -0.15 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1kn6 s ALA 10 CO 0.05 -0.66 0.04 -1.21 0.00 0.00 0.00 175.76 173.98 1kn6 s GLU 11 N -3.87 3.22 -0.14 0.00 2.02 -1.19 0.71 118.70 119.45 1kn6 s GLU 11 Ca 0.08 -0.76 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 1kn6 s GLU 11 Cb 0.02 -3.26 0.03 0.00 0.10 0.00 0.00 34.13 31.02 1kn6 s GLU 11 CO -0.07 -0.35 -0.08 -1.50 0.02 0.00 0.00 175.26 173.29 1kn6 s ILE 12 N 1.50 1.14 0.08 -1.63 -1.16 0.37 -3.47 121.20 118.03 1kn6 s ILE 12 Ca 0.04 -0.48 -0.18 0.00 -0.51 0.00 0.00 60.65 59.51 1kn6 s ILE 12 Cb -0.16 -1.21 -0.10 0.00 0.61 0.00 0.00 42.46 41.60 1kn6 s ILE 12 CO 0.01 0.28 1.47 -0.65 -2.81 0.00 0.00 174.94 173.24 1kn6 h PRO 13 N 8.13 0.45 0.00 3.50 0.11 -1.85 -3.36 132.00 138.99 1kn6 h PRO 13 Ca -0.29 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1kn6 h PRO 13 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1kn6 h PRO 13 CO 0.42 0.69 -0.17 0.41 -0.21 0.00 0.00 178.00 179.14 1kn6 n GLY 14 N -0.14 0.71 1.26 -0.55 0.00 -1.26 -4.79 105.19 100.42 1kn6 n GLY 14 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.84 1.24 0.20 -0.02 0.00 -1.26 -4.18 105.19 102.01 1kn6 n GLY 15 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 1.45 -0.47 -0.81 1.61 4.20 -1.86 1.20 115.11 120.42 1kn6 h GLN 16 Ca 0.00 0.03 0.20 0.00 0.06 0.00 0.00 58.65 58.94 1kn6 h GLN 16 Cb 0.53 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1kn6 h GLN 16 CO 0.00 -0.32 0.56 0.93 -0.67 0.00 0.00 178.83 179.33 1kn6 h GLU 17 N -0.68 0.23 0.17 1.46 4.39 -2.01 0.14 114.58 118.27 1kn6 h GLU 17 Ca -0.05 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.34 1kn6 h GLU 17 Cb 0.38 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1kn6 h GLU 17 CO 0.08 0.15 -1.35 0.00 -1.16 0.00 0.00 179.01 176.73 1kn6 h ALA 18 N 1.62 0.04 -0.53 3.43 0.00 -1.83 -3.14 119.26 118.84 1kn6 h ALA 18 Ca 0.41 -0.90 0.10 0.00 0.00 0.00 0.00 54.91 54.52 1kn6 h ALA 18 Cb 1.23 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1kn6 h ALA 18 CO -0.09 0.91 0.04 0.00 0.00 0.00 0.00 179.25 180.10 1kn6 h ALA 19 N 0.44 0.54 -0.00 0.00 0.00 0.43 0.43 119.26 121.10 1kn6 h ALA 19 Ca -0.18 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1kn6 h ALA 19 Cb 2.04 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 1kn6 h ALA 19 CO 0.22 -0.36 -0.42 0.77 0.00 0.00 0.00 179.25 179.45 1kn6 h SER 20 N 0.16 0.01 0.92 0.00 0.02 -1.54 -2.58 113.55 110.53 1kn6 h SER 20 Ca 0.27 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1kn6 h SER 20 Cb 0.41 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1kn6 h SER 20 CO -0.42 0.43 -0.45 0.00 -1.14 0.00 0.00 176.83 175.26 1kn6 h ALA 21 N 1.57 0.92 0.73 3.77 0.00 -0.53 -3.17 119.26 122.54 1kn6 h ALA 21 Ca -0.00 -0.41 -0.04 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 0.06 0.56 -0.35 0.82 0.00 0.00 0.00 179.25 180.34 1kn6 h ILE 22 N 0.00 0.00 -1.13 0.00 2.04 0.10 -2.26 117.51 116.25 1kn6 h ILE 22 Ca -0.00 -0.24 0.32 0.00 1.00 0.00 0.00 64.86 65.93 1kn6 h ILE 22 Cb 1.03 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 1kn6 h ILE 22 CO 0.06 0.00 0.74 0.00 0.00 0.00 0.00 178.15 178.95 1kn6 h ALA 23 N -1.31 2.46 -0.12 1.87 0.00 -1.62 0.99 119.26 121.54 1kn6 h ALA 23 Ca -0.10 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1kn6 h ALA 23 Cb 0.75 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1kn6 h ALA 23 CO 0.16 -0.92 -0.41 0.93 0.00 0.00 0.00 179.25 179.01 1kn6 h GLU 24 N 0.27 0.26 0.00 0.00 5.08 -1.49 0.95 114.58 119.66 1kn6 h GLU 24 Ca 0.66 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1kn6 h GLU 24 Cb 1.88 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1kn6 h GLU 24 CO -0.30 0.63 0.00 0.39 -1.00 0.00 0.00 179.01 178.73 1kn6 n GLU 25 N -4.03 0.00 0.18 2.33 -0.58 0.34 -4.28 120.64 114.60 1kn6 n GLU 25 Ca -0.01 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.91 1kn6 n GLU 25 Cb 0.48 -0.38 0.76 0.00 -0.57 0.00 0.00 31.44 31.74 1kn6 n GLU 25 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1kn6 h LEU 26 N 0.00 0.00 -0.02 -4.62 -0.00 -1.61 -3.45 115.31 105.60 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 -1.39 0.81 3.57 0.17 0.00 -0.84 -4.77 105.19 102.73 1kn6 n GLY 27 Ca 0.04 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.95 0.79 -0.44 1.61 1.51 0.32 -4.83 117.35 114.37 1kn6 s TYR 28 Ca 0.00 -1.14 -0.04 0.00 -1.01 0.00 0.00 57.07 54.89 1kn6 s TYR 28 Cb 0.00 0.16 0.12 0.00 -0.11 0.00 0.00 41.96 42.13 1kn6 s TYR 28 CO 0.00 -1.23 0.25 -0.51 -1.11 0.00 0.00 175.55 172.95 1kn6 s ASP 29 N -3.18 5.32 -0.06 2.29 1.11 -1.12 -4.14 116.67 116.89 1kn6 s ASP 29 Ca 0.26 -2.11 -0.21 0.00 0.18 0.00 0.00 52.55 50.67 1kn6 s ASP 29 Cb -0.02 -1.86 -0.04 0.00 1.07 0.00 0.00 42.92 42.07 1kn6 s ASP 29 CO 0.17 -0.55 0.62 -0.22 1.18 0.00 0.00 175.17 176.38 1kn6 s LEU 30 N 1.04 4.33 -0.31 1.23 1.98 -1.26 0.94 118.68 126.64 1kn6 s LEU 30 Ca 0.09 1.09 -0.00 0.00 -2.89 0.00 0.00 54.13 52.41 1kn6 s LEU 30 Cb -0.23 -2.95 0.13 0.00 0.66 0.00 0.00 46.19 43.81 1kn6 s LEU 30 CO -0.04 -0.03 0.27 -0.76 -1.89 0.00 0.00 176.35 173.90 1kn6 s LEU 31 N 0.51 0.01 -0.58 -0.68 2.01 0.39 -4.85 118.68 115.49 1kn6 s LEU 31 Ca 0.33 -1.09 0.03 0.00 0.01 0.00 0.00 54.13 53.41 1kn6 s LEU 31 Cb -0.17 0.30 0.14 0.00 0.01 0.00 0.00 46.19 46.48 1kn6 s LEU 31 CO 0.16 -0.37 0.34 -0.83 1.01 0.00 0.00 176.35 176.66 1kn6 s GLY 32 N 2.07 2.56 -0.38 -3.19 0.00 -1.26 -2.76 107.32 104.37 1kn6 s GLY 32 Ca 0.11 -3.39 0.04 0.00 0.00 0.00 0.00 44.72 41.49 1kn6 s GLY 32 CO -0.26 1.04 0.43 1.20 0.00 0.00 0.00 173.10 175.51 1kn6 s GLN 33 N -0.48 0.67 -0.18 2.90 -0.21 -1.24 -4.76 119.66 116.35 1kn6 s GLN 33 Ca 0.19 -0.70 -0.11 0.00 0.02 0.00 0.00 55.36 54.75 1kn6 s GLN 33 Cb -0.21 -0.54 -0.08 0.00 1.00 0.00 0.00 33.01 33.18 1kn6 s GLN 33 CO -0.03 -1.19 -0.27 0.44 -2.12 0.00 0.00 175.29 172.12 1kn6 n ILE 34 N 4.32 1.22 0.00 1.08 -6.64 -1.26 -5.04 119.36 113.04 1kn6 n ILE 34 Ca 0.11 -0.16 0.00 0.00 -1.77 0.00 0.00 62.75 60.93 1kn6 n ILE 34 Cb 0.48 -1.88 0.00 0.00 -1.44 0.00 0.00 39.64 36.79 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 1.77 3.10 0.10 3.28 0.00 -1.26 -4.94 105.19 107.24 1kn6 n GLY 35 Ca -0.33 -0.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.71 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 0.60 -0.42 0.00 1.61 0.02 -2.04 -3.26 113.55 110.07 1kn6 h SER 36 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1kn6 h SER 36 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1kn6 h SER 36 CO 0.00 -0.09 -0.79 0.00 -1.14 0.00 0.00 176.83 174.82 1kn6 n LEU 37 N -3.31 0.46 -2.99 5.07 -0.00 -1.26 -5.07 117.00 109.90 1kn6 n LEU 37 Ca -0.01 -0.40 -0.01 0.00 -0.00 0.00 0.00 56.01 55.60 1kn6 n LEU 37 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.49 1kn6 n LEU 37 CO -0.00 0.12 -0.32 -1.84 -0.00 0.00 0.00 177.39 175.35 1kn6 n GLU 38 N -1.42 -1.80 0.00 1.47 0.28 -1.23 -4.88 120.64 113.05 1kn6 n GLU 38 Ca 0.01 1.65 0.00 0.00 -0.16 0.00 0.00 57.16 58.67 1kn6 n GLU 38 Cb 0.22 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.00 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 1.83 0.00 -4.78 -1.84 2.04 -1.26 -4.83 115.26 106.43 1kn6 n ASN 39 Ca -0.07 0.00 -0.41 0.00 -0.44 0.00 0.00 54.58 53.66 1kn6 n ASN 39 Cb 0.26 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.51 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 0.00 2.63 -0.09 -2.53 2.46 -1.26 0.14 115.29 116.64 1kn6 s HIS 40 Ca 0.00 1.21 -0.08 0.00 0.47 0.00 0.00 55.06 56.65 1kn6 s HIS 40 Cb 0.00 -3.97 0.02 0.00 -0.13 0.00 0.00 32.58 28.50 1kn6 s HIS 40 CO 0.00 -2.85 0.24 0.71 -2.47 0.00 0.00 174.74 170.37 1kn6 s TYR 41 N -1.13 -0.26 -0.00 3.88 1.51 0.22 -3.69 117.35 117.88 1kn6 s TYR 41 Ca 0.53 0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 57.22 1kn6 s TYR 41 Cb -0.45 0.09 -0.00 0.00 -0.11 0.00 0.00 41.96 41.48 1kn6 s TYR 41 CO 0.61 -0.13 0.02 -0.48 -1.11 0.00 0.00 175.55 174.47 1kn6 s LEU 42 N 0.14 1.96 0.15 -1.29 2.34 -1.11 -1.20 118.68 119.67 1kn6 s LEU 42 Ca -0.00 -0.12 0.03 0.00 0.06 0.00 0.00 54.13 54.09 1kn6 s LEU 42 Cb -0.02 0.15 -0.04 0.00 -0.56 0.00 0.00 46.19 45.72 1kn6 s LEU 42 CO 0.00 -0.12 0.27 -0.36 -1.06 0.00 0.00 176.35 175.08 1kn6 s PHE 43 N -0.52 3.46 -0.33 3.48 0.40 -0.59 0.15 117.98 124.03 1kn6 s PHE 43 Ca -0.06 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 1kn6 s PHE 43 Cb -0.04 -1.66 0.16 0.00 0.51 0.00 0.00 43.02 42.00 1kn6 s PHE 43 CO -0.00 0.52 0.41 0.15 0.70 0.00 0.00 175.22 176.99 1kn6 s LYS 44 N -3.22 0.53 0.00 0.44 3.01 0.27 -2.76 119.74 118.00 1kn6 s LYS 44 Ca 0.34 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 54.99 1kn6 s LYS 44 Cb -0.11 -0.46 0.00 0.00 -1.01 0.00 0.00 37.83 36.25 1kn6 s LYS 44 CO 0.28 -1.11 0.00 1.58 0.51 0.00 0.00 175.35 176.61 1kn6 n HIS 45 N 4.84 0.00 -3.74 3.18 -0.00 -1.26 -2.80 115.22 115.43 1kn6 n HIS 45 Ca 0.05 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.87 1kn6 n HIS 45 Cb 0.48 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.25 1kn6 n HIS 45 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1kn6 s LYS 46 N 0.00 2.26 0.06 1.57 -0.14 -1.26 -4.72 119.74 117.51 1kn6 s LYS 46 Ca 0.00 -2.13 -0.17 0.00 -1.36 0.00 0.00 55.97 52.31 1kn6 s LYS 46 Cb 0.00 -3.66 -0.07 0.00 -1.68 0.00 0.00 37.83 32.42 1kn6 s LYS 46 CO 0.00 -1.12 1.27 1.03 -0.76 0.00 0.00 175.35 175.77 1kn6 h SER 47 N 7.62 -0.84 0.15 2.83 0.87 -2.00 -3.32 113.55 118.86 1kn6 h SER 47 Ca -0.08 0.10 -0.36 0.00 -1.23 0.00 0.00 61.79 60.21 1kn6 h SER 47 Cb 1.01 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 1kn6 h SER 47 CO 0.71 -0.25 -2.01 0.00 -0.53 0.00 0.00 176.83 174.76 1kn6 n HIS 48 N -3.97 1.15 -2.01 2.24 -0.00 -1.26 -4.82 115.22 106.55 1kn6 n HIS 48 Ca -0.03 0.26 -0.39 0.00 -0.00 0.00 0.00 57.72 57.55 1kn6 n HIS 48 Cb 0.19 -1.15 -0.03 0.00 -0.00 0.00 0.00 29.99 29.00 1kn6 n HIS 48 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1kn6 s PRO 49 N -2.56 2.77 -0.25 -1.40 0.02 -1.25 -4.76 135.00 127.58 1kn6 s PRO 49 Ca -0.22 0.86 -0.15 0.00 0.02 0.00 0.00 61.00 61.51 1kn6 s PRO 49 Cb 0.07 -4.35 -0.15 0.00 0.02 0.00 0.00 34.50 30.08 1kn6 s PRO 49 CO 0.76 -2.55 -0.12 0.54 -0.33 0.00 0.00 177.00 175.31 1kn6 n ARG 50 N 8.98 0.59 0.00 5.54 5.12 -1.26 -4.55 116.66 131.08 1kn6 n ARG 50 Ca 0.22 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.50 1kn6 n ARG 50 Cb 0.51 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 1kn6 n ARG 50 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1kn6 n ARG 51 N -4.20 0.00 -2.52 5.56 0.00 -1.26 -4.69 116.66 109.54 1kn6 n ARG 51 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.36 1kn6 n ARG 51 Cb 0.84 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.31 1kn6 n ARG 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1kn6 n SER 52 N 0.00 -2.47 0.00 6.15 7.64 -1.08 -4.41 113.62 119.46 1kn6 n SER 52 Ca 0.00 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1kn6 n SER 52 Cb 0.00 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 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 -1.32 0.00 -2.30 1.43 0.63 -1.26 -4.96 116.66 108.87 1kn6 n ARG 53 Ca -0.02 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.89 1kn6 n ARG 53 Cb 0.52 -0.61 -0.01 0.00 0.45 0.00 0.00 32.46 32.81 1kn6 n ARG 53 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1kn6 n ARG 54 N -1.97 0.07 -2.00 -0.14 5.12 -1.26 -4.99 116.66 111.49 1kn6 n ARG 54 Ca 0.00 -0.45 0.02 0.00 -1.93 0.00 0.00 57.85 55.49 1kn6 n ARG 54 Cb 0.18 0.37 0.03 0.00 -1.16 0.00 0.00 32.46 31.88 1kn6 n ARG 54 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1kn6 n SER 55 N -2.81 1.23 0.00 0.55 2.88 -1.26 -4.87 113.62 109.34 1kn6 n SER 55 Ca 0.01 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1kn6 n SER 55 Cb 0.08 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1kn6 n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kn6 n ALA 56 N 0.08 0.00 0.00 -1.46 0.00 -1.26 -5.00 120.51 112.87 1kn6 n ALA 56 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1kn6 n ALA 56 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 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 0.00 0.24 0.00 -0.00 -1.26 -4.94 117.00 111.05 1kn6 n LEU 57 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.16 1kn6 n LEU 57 Cb 0.00 0.00 0.82 0.00 -0.00 0.00 0.00 43.42 44.24 1kn6 n LEU 57 CO 0.00 0.00 0.99 1.12 -0.00 0.00 0.00 177.39 179.50 1kn6 h HIS 58 N 0.00 0.00 -0.12 1.47 2.07 -1.94 0.53 115.15 117.16 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 -2.60 0.16 -0.92 6.12 0.00 -1.26 -3.22 119.36 117.63 1kn6 n ILE 59 Ca -0.02 -0.19 0.08 0.00 0.00 0.00 0.00 62.75 62.63 1kn6 n ILE 59 Cb 0.11 0.06 0.25 0.00 0.00 0.00 0.00 39.64 40.06 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 -0.15 2.18 0.05 9.51 -2.24 0.19 -3.99 114.28 119.82 1kn6 n THR 60 Ca 0.10 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 1kn6 n THR 60 Cb 0.16 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.43 0.00 0.14 -0.78 0.00 -1.20 -4.67 118.16 111.23 1kn6 n LYS 61 Ca 0.20 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.64 1kn6 n LYS 61 Cb 0.85 -0.39 0.23 0.00 -0.00 0.00 0.00 35.03 35.72 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 0.00 0.00 0.24 -1.58 2.47 -1.83 -2.77 114.38 110.90 1kn6 h ARG 62 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1kn6 h ARG 62 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1kn6 h ARG 62 CO 0.00 0.00 -0.12 1.25 0.56 0.00 0.00 179.97 181.66 1kn6 h LEU 63 N 0.00 -0.27 -1.22 3.04 7.12 -1.83 -2.10 115.31 120.05 1kn6 h LEU 63 Ca 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.97 1kn6 h LEU 63 Cb 0.88 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.06 1kn6 h LEU 63 CO 0.00 0.06 0.04 0.77 -0.13 0.00 0.00 178.44 179.19 1kn6 h SER 64 N -0.84 0.54 -0.49 1.25 4.64 -1.79 0.75 113.55 117.60 1kn6 h SER 64 Ca -0.03 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1kn6 h SER 64 Cb 0.25 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 1kn6 h SER 64 CO 0.05 0.58 0.27 -0.78 -0.87 0.00 0.00 176.83 176.08 1kn6 h ASP 65 N 0.56 0.41 1.88 4.97 1.82 -1.59 -1.06 116.42 123.40 1kn6 h ASP 65 Ca 0.12 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1kn6 h ASP 65 Cb 0.30 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1kn6 h ASP 65 CO 0.01 0.29 -0.11 0.44 -1.61 0.00 0.00 179.24 178.25 1kn6 h ASP 66 N 0.53 0.00 0.00 2.28 5.19 -0.77 -3.24 116.42 120.41 1kn6 h ASP 66 Ca 0.21 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1kn6 h ASP 66 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1kn6 h ASP 66 CO -0.12 0.00 0.03 -0.78 -3.12 0.00 0.00 179.24 175.24 1kn6 h ASP 67 N 0.00 0.00 -1.16 6.45 3.58 0.19 -2.72 116.42 122.75 1kn6 h ASP 67 Ca 0.00 0.00 0.34 0.00 0.42 0.00 0.00 57.03 57.79 1kn6 h ASP 67 Cb 0.99 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.00 1kn6 h ASP 67 CO 0.00 0.00 0.96 0.03 -2.88 0.00 0.00 179.24 177.35 1kn6 h ARG 68 N 0.00 0.00 -0.78 0.28 -0.00 -1.56 -1.02 114.38 111.29 1kn6 h ARG 68 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.58 1kn6 h ARG 68 Cb 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 29.90 1kn6 h ARG 68 CO 0.00 0.00 -0.49 -0.39 0.00 0.00 0.00 179.97 179.09 1kn6 h VAL 69 N 0.00 0.03 0.00 2.04 -1.51 -1.80 -3.45 116.25 111.56 1kn6 h VAL 69 Ca 0.55 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.02 1kn6 h VAL 69 Cb 2.46 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1kn6 h VAL 69 CO -0.01 0.00 0.00 0.41 -1.23 0.00 0.00 177.57 176.74 1kn6 n THR 70 N -5.37 0.00 -3.83 7.19 -1.04 -0.39 -4.73 114.28 106.11 1kn6 n THR 70 Ca 0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.93 1kn6 n THR 70 Cb 0.33 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.76 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 -0.30 0.01 -0.18 -1.42 1.48 -1.23 -5.07 118.94 112.23 1kn6 s TRP 71 Ca 0.00 -0.17 -0.05 0.00 -1.06 0.00 0.00 56.10 54.82 1kn6 s TRP 71 Cb 0.00 -0.01 0.09 0.00 -1.16 0.00 0.00 33.47 32.39 1kn6 s TRP 71 CO 0.00 -0.41 0.35 0.00 -4.06 0.00 0.00 176.95 172.84 1kn6 s ALA 72 N -2.21 -0.91 -0.00 2.67 0.00 -1.26 -3.18 121.76 116.87 1kn6 s ALA 72 Ca -0.08 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.09 1kn6 s ALA 72 Cb -0.03 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1kn6 s ALA 72 CO -0.02 -0.81 -0.11 -2.00 0.00 0.00 0.00 175.76 172.83 1kn6 s GLU 73 N 2.53 0.84 -0.23 0.00 2.56 -1.21 -4.99 118.70 118.20 1kn6 s GLU 73 Ca 0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 54.97 54.39 1kn6 s GLU 73 Cb -0.13 -0.81 -0.02 0.00 2.00 0.00 0.00 34.13 35.17 1kn6 s GLU 73 CO -0.12 0.22 0.62 1.14 -0.56 0.00 0.00 175.26 176.56 1kn6 s GLN 74 N -0.32 4.15 -0.19 4.30 -2.07 -1.26 -2.38 119.66 121.90 1kn6 s GLN 74 Ca 0.04 0.56 -0.18 0.00 -1.82 0.00 0.00 55.36 53.95 1kn6 s GLN 74 Cb -0.04 -3.62 -0.03 0.00 -1.09 0.00 0.00 33.01 28.22 1kn6 s GLN 74 CO -0.00 -0.33 0.49 -1.14 -1.32 0.00 0.00 175.29 172.99 1kn6 s GLN 75 N 2.22 4.21 0.00 9.60 0.74 -0.34 -4.94 119.66 131.15 1kn6 s GLN 75 Ca 0.27 0.37 0.00 0.00 0.05 0.00 0.00 55.36 56.05 1kn6 s GLN 75 Cb -0.16 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.42 1kn6 s GLN 75 CO 0.09 -0.08 0.51 0.66 -0.55 0.00 0.00 175.29 175.91