#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 -1.15 -0.22 118.33 117.97 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 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 1kn6 n VAL 5 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1kn6 n ASN 6 N -0.43 0.00 -3.36 6.55 6.94 -1.25 -4.72 115.26 118.98 1kn6 n ASN 6 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.46 1kn6 n ASN 6 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1kn6 n ASN 6 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1kn6 s GLU 7 N -1.49 0.34 -0.64 -3.83 -1.05 -0.33 -4.41 118.70 107.29 1kn6 s GLU 7 Ca 0.00 0.43 -0.22 0.00 -0.15 0.00 0.00 54.97 55.02 1kn6 s GLU 7 Cb 0.00 -0.55 0.07 0.00 -0.44 0.00 0.00 34.13 33.21 1kn6 s GLU 7 CO 0.00 -0.70 0.93 -0.46 0.95 0.00 0.00 175.26 175.98 1kn6 s TRP 8 N 2.51 2.72 -0.16 4.83 -0.00 -0.62 -1.22 118.94 127.01 1kn6 s TRP 8 Ca 0.12 -0.54 -0.15 0.00 -0.00 0.00 0.00 56.10 55.53 1kn6 s TRP 8 Cb -0.15 -4.23 -0.04 0.00 -0.00 0.00 0.00 33.47 29.05 1kn6 s TRP 8 CO -0.18 -1.58 0.36 0.00 -0.00 0.00 0.00 176.95 175.56 1kn6 s ALA 9 N 3.90 3.55 0.00 5.86 0.00 -0.78 -2.39 121.76 131.90 1kn6 s ALA 9 Ca 0.22 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 1kn6 s ALA 9 Cb -0.17 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1kn6 s ALA 9 CO 0.11 0.00 0.23 0.00 0.00 0.00 0.00 175.76 176.10 1kn6 s ALA 10 N 0.65 -0.57 -0.24 0.00 0.00 -0.63 -3.15 121.76 117.83 1kn6 s ALA 10 Ca 0.19 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 1kn6 s ALA 10 Cb -0.14 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1kn6 s ALA 10 CO 0.06 -0.26 0.05 -2.00 0.00 0.00 0.00 175.76 173.61 1kn6 s GLU 11 N -1.52 3.63 -0.22 0.00 2.56 -1.20 0.67 118.70 122.62 1kn6 s GLU 11 Ca -0.13 -0.49 -0.04 0.00 0.00 0.00 0.00 54.97 54.30 1kn6 s GLU 11 Cb -0.06 -3.25 0.11 0.00 2.00 0.00 0.00 34.13 32.94 1kn6 s GLU 11 CO 0.02 -0.14 0.38 -1.50 -0.56 0.00 0.00 175.26 173.47 1kn6 s ILE 12 N 1.45 -0.60 0.48 -3.70 -1.16 0.41 -3.36 121.20 114.72 1kn6 s ILE 12 Ca 0.05 0.04 0.29 0.00 -0.51 0.00 0.00 60.65 60.52 1kn6 s ILE 12 Cb -0.15 -0.73 0.48 0.00 0.61 0.00 0.00 42.46 42.67 1kn6 s ILE 12 CO 0.02 -0.04 1.79 -0.65 -2.81 0.00 0.00 174.94 173.26 1kn6 h PRO 13 N 8.19 0.16 0.00 3.50 0.11 -1.85 -3.39 132.00 138.72 1kn6 h PRO 13 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1kn6 h PRO 13 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1kn6 h PRO 13 CO 0.21 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 1kn6 n GLY 14 N -1.63 0.39 2.96 -0.55 0.00 -1.26 -4.75 105.19 100.34 1kn6 n GLY 14 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 4.40 -0.32 0.05 -0.02 0.00 -1.26 -4.75 105.19 103.29 1kn6 n GLY 15 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.36 0.00 0.00 1.61 4.20 -1.90 -1.08 115.11 117.58 1kn6 h GLN 16 Ca -0.25 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 1kn6 h GLN 16 Cb 0.88 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1kn6 h GLN 16 CO 0.38 0.22 -0.28 0.93 -0.67 0.00 0.00 178.83 179.41 1kn6 h GLU 17 N -1.00 0.00 0.00 1.46 5.08 -1.99 -3.18 114.58 114.95 1kn6 h GLU 17 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kn6 h GLU 17 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1kn6 h GLU 17 CO -0.00 0.28 -0.04 0.00 -1.00 0.00 0.00 179.01 178.25 1kn6 h ALA 18 N 1.72 0.00 -0.87 3.43 0.00 -1.93 -2.57 119.26 119.04 1kn6 h ALA 18 Ca -0.00 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.05 1kn6 h ALA 18 Cb 1.15 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 1kn6 h ALA 18 CO 0.04 0.04 0.33 0.00 0.00 0.00 0.00 179.25 179.65 1kn6 h ALA 19 N -0.92 1.34 0.00 0.00 0.00 -1.33 1.19 119.26 119.54 1kn6 h ALA 19 Ca -0.00 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1kn6 h ALA 19 Cb 0.11 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1kn6 h ALA 19 CO -0.00 -0.38 -0.52 1.03 0.00 0.00 0.00 179.25 179.38 1kn6 h SER 20 N 0.33 0.00 1.06 0.00 0.87 -1.70 -3.06 113.55 111.05 1kn6 h SER 20 Ca 0.54 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.91 1kn6 h SER 20 Cb 1.04 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1kn6 h SER 20 CO -0.56 0.52 -0.90 0.00 -0.53 0.00 0.00 176.83 175.36 1kn6 h ALA 21 N 1.48 0.43 0.55 6.23 0.00 0.14 -3.19 119.26 124.90 1kn6 h ALA 21 Ca -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1kn6 h ALA 21 Cb 1.02 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1kn6 h ALA 21 CO 0.07 1.13 -0.26 0.82 0.00 0.00 0.00 179.25 181.00 1kn6 h ILE 22 N 0.00 0.00 -1.13 0.00 2.04 0.80 -0.09 117.51 119.13 1kn6 h ILE 22 Ca -0.01 -0.28 0.32 0.00 1.00 0.00 0.00 64.86 65.89 1kn6 h ILE 22 Cb 1.68 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.65 1kn6 h ILE 22 CO 0.12 0.00 0.73 0.00 0.00 0.00 0.00 178.15 179.00 1kn6 h ALA 23 N -1.38 2.41 -0.01 1.87 0.00 -1.69 0.99 119.26 121.45 1kn6 h ALA 23 Ca -0.08 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1kn6 h ALA 23 Cb 0.57 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1kn6 h ALA 23 CO 0.12 -0.89 -0.78 0.93 0.00 0.00 0.00 179.25 178.64 1kn6 h GLU 24 N 0.28 0.12 0.00 0.00 5.08 -1.52 0.90 114.58 119.44 1kn6 h GLU 24 Ca 0.67 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1kn6 h GLU 24 Cb 1.87 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1kn6 h GLU 24 CO -0.33 0.84 0.00 0.39 -1.00 0.00 0.00 179.01 178.91 1kn6 n GLU 25 N -3.69 0.00 0.30 2.33 1.02 0.34 -4.27 120.64 116.66 1kn6 n GLU 25 Ca -0.02 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.29 1kn6 n GLU 25 Cb 0.74 -0.45 0.97 0.00 -0.02 0.00 0.00 31.44 32.68 1kn6 n GLU 25 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 1kn6 h LEU 26 N 0.00 0.00 0.00 -4.62 -0.00 -1.63 -3.46 115.31 105.59 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 -1.28 0.76 3.52 0.17 0.00 -1.01 -4.93 105.19 102.43 1kn6 n GLY 27 Ca -0.02 -0.69 -0.11 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 -0.88 0.61 -0.54 1.61 1.51 0.31 -4.87 117.35 115.11 1kn6 s TYR 28 Ca 0.00 -0.93 -0.09 0.00 -1.01 0.00 0.00 57.07 55.04 1kn6 s TYR 28 Cb 0.00 0.04 0.14 0.00 -0.11 0.00 0.00 41.96 42.03 1kn6 s TYR 28 CO 0.00 -0.99 0.41 0.34 -1.11 0.00 0.00 175.55 174.21 1kn6 s ASP 29 N -3.08 5.77 -0.11 2.29 -1.08 -1.19 -4.23 116.67 115.04 1kn6 s ASP 29 Ca 0.26 -2.13 -0.22 0.00 -0.52 0.00 0.00 52.55 49.94 1kn6 s ASP 29 Cb 0.00 -2.02 -0.03 0.00 -1.46 0.00 0.00 42.92 39.41 1kn6 s ASP 29 CO 0.12 -0.64 0.65 -0.22 0.52 0.00 0.00 175.17 175.60 1kn6 s LEU 30 N 1.03 4.27 -0.30 -1.34 1.98 -1.26 -0.54 118.68 122.52 1kn6 s LEU 30 Ca 0.09 1.05 -0.01 0.00 -2.89 0.00 0.00 54.13 52.37 1kn6 s LEU 30 Cb -0.24 -2.98 0.13 0.00 0.66 0.00 0.00 46.19 43.77 1kn6 s LEU 30 CO -0.02 -0.14 0.28 -0.76 -1.89 0.00 0.00 176.35 173.82 1kn6 s LEU 31 N 1.04 -0.06 -0.54 -0.68 1.43 0.27 -4.94 118.68 115.21 1kn6 s LEU 31 Ca 0.34 -0.98 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 1kn6 s LEU 31 Cb -0.17 0.36 0.15 0.00 0.03 0.00 0.00 46.19 46.56 1kn6 s LEU 31 CO 0.15 -0.38 0.35 -0.83 0.23 0.00 0.00 176.35 175.87 1kn6 s GLY 32 N 2.17 2.10 -0.45 -3.19 0.00 -1.26 -3.27 107.32 103.41 1kn6 s GLY 32 Ca 0.10 -3.07 0.06 0.00 0.00 0.00 0.00 44.72 41.82 1kn6 s GLY 32 CO -0.29 1.45 0.62 -1.06 0.00 0.00 0.00 173.10 173.82 1kn6 n GLN 33 N 2.80 0.55 -0.07 2.90 1.13 -1.26 -4.73 117.38 118.70 1kn6 n GLN 33 Ca 0.17 -2.52 -0.22 0.00 -1.94 0.00 0.00 57.00 52.48 1kn6 n GLN 33 Cb 0.37 -1.46 -0.12 0.00 0.11 0.00 0.00 30.24 29.14 1kn6 n GLN 33 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1kn6 n ILE 34 N 2.23 1.62 0.00 5.09 -0.00 -1.26 -4.99 119.36 122.05 1kn6 n ILE 34 Ca 0.19 -0.44 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 1kn6 n ILE 34 Cb 0.55 -1.77 0.00 0.00 -0.00 0.00 0.00 39.64 38.42 1kn6 n ILE 34 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1kn6 n GLY 35 N 1.79 2.71 0.16 7.39 0.00 -1.26 -4.85 105.19 111.14 1kn6 n GLY 35 Ca -0.39 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 0.01 0.00 1.61 0.02 -2.03 -3.24 113.55 109.92 1kn6 h SER 36 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1kn6 h SER 36 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1kn6 h SER 36 CO 0.00 0.04 -1.37 0.00 -1.14 0.00 0.00 176.83 174.37 1kn6 n LEU 37 N -5.09 0.03 -3.46 5.07 -0.00 -1.26 -5.06 117.00 107.22 1kn6 n LEU 37 Ca 0.02 -0.03 -0.37 0.00 -0.00 0.00 0.00 56.01 55.63 1kn6 n LEU 37 Cb 0.16 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.62 1kn6 n LEU 37 CO 0.24 0.01 -0.26 -1.84 -0.00 0.00 0.00 177.39 175.54 1kn6 n GLU 38 N -1.79 -1.93 0.00 1.47 0.28 -1.22 -4.73 120.64 112.72 1kn6 n GLU 38 Ca -0.01 1.46 0.00 0.00 -0.16 0.00 0.00 57.16 58.45 1kn6 n GLU 38 Cb 0.24 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 30.86 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 -0.15 0.00 -4.77 -1.84 0.23 -1.26 -4.73 115.26 102.74 1kn6 n ASN 39 Ca -0.07 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.57 1kn6 n ASN 39 Cb 0.67 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.36 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 -0.14 -2.53 2.46 -1.26 -0.44 115.29 116.12 1kn6 s HIS 40 Ca 0.00 1.11 -0.12 0.00 0.47 0.00 0.00 55.06 56.52 1kn6 s HIS 40 Cb 0.00 -3.95 0.04 0.00 -0.13 0.00 0.00 32.58 28.54 1kn6 s HIS 40 CO 0.00 -2.89 0.38 0.71 -2.47 0.00 0.00 174.74 170.47 1kn6 s TYR 41 N -0.77 -0.43 0.00 3.88 1.51 0.21 -3.98 117.35 117.77 1kn6 s TYR 41 Ca 0.55 1.04 -0.11 0.00 -1.01 0.00 0.00 57.07 57.53 1kn6 s TYR 41 Cb -0.45 0.15 0.01 0.00 -0.11 0.00 0.00 41.96 41.56 1kn6 s TYR 41 CO 0.56 -0.22 0.23 -0.48 -1.11 0.00 0.00 175.55 174.53 1kn6 s LEU 42 N 0.36 1.18 0.01 -1.29 -0.00 -1.20 -1.61 118.68 116.13 1kn6 s LEU 42 Ca -0.01 -0.10 0.05 0.00 -0.00 0.00 0.00 54.13 54.06 1kn6 s LEU 42 Cb -0.03 1.01 -0.03 0.00 -0.00 0.00 0.00 46.19 47.13 1kn6 s LEU 42 CO -0.01 -0.44 -0.11 -0.36 -0.00 0.00 0.00 176.35 175.43 1kn6 s PHE 43 N -1.57 2.77 -0.20 3.48 0.08 -1.01 0.97 117.98 122.51 1kn6 s PHE 43 Ca -0.13 -0.12 -0.04 0.00 0.12 0.00 0.00 56.93 56.76 1kn6 s PHE 43 Cb -0.05 -1.56 0.08 0.00 -0.57 0.00 0.00 43.02 40.92 1kn6 s PHE 43 CO 0.02 0.32 0.18 0.15 -0.10 0.00 0.00 175.22 175.79 1kn6 s LYS 44 N -1.38 0.15 -0.28 0.44 3.01 0.29 -1.58 119.74 120.39 1kn6 s LYS 44 Ca 0.16 0.09 -0.16 0.00 -1.01 0.00 0.00 55.97 55.05 1kn6 s LYS 44 Cb -0.11 -1.39 0.09 0.00 -1.01 0.00 0.00 37.83 35.41 1kn6 s LYS 44 CO 0.06 -0.68 0.73 -1.58 0.51 0.00 0.00 175.35 174.40 1kn6 s HIS 45 N 2.27 -1.00 0.00 3.18 2.46 -1.26 -3.20 115.29 117.74 1kn6 s HIS 45 Ca 0.06 2.00 0.00 0.00 0.47 0.00 0.00 55.06 57.58 1kn6 s HIS 45 Cb -0.16 0.59 0.00 0.00 -0.13 0.00 0.00 32.58 32.89 1kn6 s HIS 45 CO -0.12 -0.49 0.00 0.36 -2.47 0.00 0.00 174.74 172.01 1kn6 n LYS 46 N 4.22 0.00 -2.11 2.88 -0.00 -1.26 -4.87 118.16 117.02 1kn6 n LYS 46 Ca -0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.00 1kn6 n LYS 46 Cb 0.59 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.03 35.57 1kn6 n LYS 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1kn6 n SER 47 N -1.38 -3.80 -2.68 -5.58 7.64 -1.26 -4.88 113.62 101.68 1kn6 n SER 47 Ca 0.00 0.03 -0.05 0.00 1.01 0.00 0.00 58.87 59.85 1kn6 n SER 47 Cb 0.00 -2.93 0.06 0.00 -1.01 0.00 0.00 64.21 60.33 1kn6 n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kn6 n HIS 48 N -3.84 -1.48 -0.87 1.43 -0.00 -1.26 -5.05 115.22 104.14 1kn6 n HIS 48 Ca -0.13 -1.34 -0.35 0.00 -0.00 0.00 0.00 57.72 55.89 1kn6 n HIS 48 Cb 0.58 1.40 -0.05 0.00 -0.00 0.00 0.00 29.99 31.91 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 -0.30 1.31 -0.60 -1.40 -0.04 -1.26 -4.45 135.00 128.26 1kn6 n PRO 49 Ca -0.11 -1.52 0.05 0.00 -0.04 0.00 0.00 63.50 61.87 1kn6 n PRO 49 Cb 0.74 -2.67 0.27 0.00 -0.04 0.00 0.00 33.50 31.80 1kn6 n PRO 49 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kn6 n ARG 50 N 6.31 3.58 -3.85 0.54 1.74 -1.26 -4.90 116.66 118.82 1kn6 n ARG 50 Ca 0.44 -2.09 -0.26 0.00 -0.77 0.00 0.00 57.85 55.17 1kn6 n ARG 50 Cb 0.31 -2.01 0.02 0.00 -1.02 0.00 0.00 32.46 29.76 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 0.41 -4.89 0.00 5.56 1.74 -1.23 -4.42 116.66 113.83 1kn6 n ARG 51 Ca 0.18 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1kn6 n ARG 51 Cb 0.88 -5.22 0.00 0.00 -1.02 0.00 0.00 32.46 27.10 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 -2.94 0.00 -4.57 0.55 7.64 0.69 -3.69 113.62 111.30 1kn6 n SER 52 Ca -0.14 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.59 1kn6 n SER 52 Cb 0.61 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.71 1kn6 n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1kn6 s ARG 53 N 0.00 1.41 -0.07 1.43 6.06 -1.25 -4.89 118.95 121.63 1kn6 s ARG 53 Ca 0.00 -0.08 -0.30 0.00 -2.50 0.00 0.00 55.73 52.85 1kn6 s ARG 53 Cb 0.00 -4.91 -0.03 0.00 0.06 0.00 0.00 34.95 30.06 1kn6 s ARG 53 CO 0.00 -5.01 1.28 0.50 -2.50 0.00 0.00 175.30 169.57 1kn6 s ARG 54 N 8.55 4.30 0.00 5.12 3.52 -1.26 -4.84 118.95 134.34 1kn6 s ARG 54 Ca 0.85 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 1kn6 s ARG 54 Cb -0.08 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1kn6 s ARG 54 CO 0.13 -0.55 0.64 0.45 -0.81 0.00 0.00 175.30 175.16 1kn6 n SER 55 N 5.65 0.00 -4.43 -2.12 2.88 -1.26 -5.00 113.62 109.34 1kn6 n SER 55 Ca 0.12 -1.41 -0.43 0.00 -1.33 0.00 0.00 58.87 55.82 1kn6 n SER 55 Cb 0.45 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.00 3.93 -0.01 -1.46 0.00 -1.26 -4.47 120.51 117.24 1kn6 n ALA 56 Ca 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 53.44 49.40 1kn6 n ALA 56 Cb 0.58 -3.38 -0.01 0.00 0.00 0.00 0.00 19.45 16.64 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 7.02 0.19 0.24 0.00 -0.00 -1.26 -4.65 117.00 118.54 1kn6 n LEU 57 Ca 0.45 0.03 0.16 0.00 -0.00 0.00 0.00 56.01 56.65 1kn6 n LEU 57 Cb 0.44 -0.08 0.85 0.00 -0.00 0.00 0.00 43.42 44.62 1kn6 n LEU 57 CO 0.73 0.04 0.98 -0.74 -0.00 0.00 0.00 177.39 178.41 1kn6 h HIS 58 N -0.09 0.00 -0.29 1.47 2.76 -1.94 0.34 115.15 117.40 1kn6 h HIS 58 Ca -0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1kn6 h HIS 58 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1kn6 h HIS 58 CO -0.01 0.00 0.00 1.51 -1.30 0.00 0.00 177.93 178.13 1kn6 n ILE 59 N -2.60 0.99 -1.51 6.26 0.00 -1.26 -3.94 119.36 117.29 1kn6 n ILE 59 Ca -0.02 -0.58 -0.14 0.00 0.00 0.00 0.00 62.75 62.01 1kn6 n ILE 59 Cb 0.06 -0.18 0.15 0.00 0.00 0.00 0.00 39.64 39.67 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 0.36 2.78 0.03 9.51 -2.24 0.11 -4.22 114.28 120.60 1kn6 n THR 60 Ca 0.12 -2.94 0.00 0.00 -2.27 0.00 0.00 64.05 58.96 1kn6 n THR 60 Cb 0.55 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.03 0.00 0.00 -0.78 -0.00 -1.25 -4.83 118.16 110.26 1kn6 n LYS 61 Ca 0.42 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.88 1kn6 n LYS 61 Cb 1.05 -0.05 0.80 0.00 -0.00 0.00 0.00 35.03 36.83 1kn6 n LYS 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1kn6 n ARG 62 N -2.77 0.60 0.02 -1.58 5.12 -1.26 -2.47 116.66 114.31 1kn6 n ARG 62 Ca 0.00 -0.02 -0.01 0.00 -1.93 0.00 0.00 57.85 55.89 1kn6 n ARG 62 Cb 0.00 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.79 1kn6 n ARG 62 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1kn6 h LEU 63 N 0.05 -0.08 -0.85 0.55 7.12 -1.89 -2.07 115.31 118.14 1kn6 h LEU 63 Ca 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.94 1kn6 h LEU 63 Cb 0.22 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 1kn6 h LEU 63 CO 0.00 0.17 0.01 0.77 -0.13 0.00 0.00 178.44 179.26 1kn6 h SER 64 N -0.54 0.84 -0.39 1.25 4.64 -1.84 1.17 113.55 118.69 1kn6 h SER 64 Ca -0.01 -0.21 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 1kn6 h SER 64 Cb 0.07 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.89 1kn6 h SER 64 CO 0.02 0.89 0.11 0.44 -0.87 0.00 0.00 176.83 177.42 1kn6 h ASP 65 N 0.81 0.09 1.77 4.97 5.19 -1.63 -1.09 116.42 126.53 1kn6 h ASP 65 Ca 0.16 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1kn6 h ASP 65 Cb 0.47 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1kn6 h ASP 65 CO 0.02 0.09 -0.18 0.44 -3.12 0.00 0.00 179.24 176.49 1kn6 h ASP 66 N 0.26 0.00 0.00 6.45 5.19 -0.97 -3.27 116.42 124.07 1kn6 h ASP 66 Ca 0.18 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1kn6 h ASP 66 Cb 0.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1kn6 h ASP 66 CO -0.21 0.00 0.06 -0.78 -3.12 0.00 0.00 179.24 175.20 1kn6 h ASP 67 N 0.00 0.00 -0.54 6.45 3.58 0.28 -2.76 116.42 123.43 1kn6 h ASP 67 Ca 0.00 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.61 1kn6 h ASP 67 Cb 0.97 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 1kn6 h ASP 67 CO 0.00 0.00 0.77 0.08 -2.88 0.00 0.00 179.24 177.21 1kn6 h ARG 68 N 0.00 0.00 -0.64 0.28 -0.00 -1.60 -1.70 114.38 110.72 1kn6 h ARG 68 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 59.98 60.06 1kn6 h ARG 68 Cb 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 29.99 1kn6 h ARG 68 CO 0.00 0.00 -0.50 -0.39 -0.00 0.00 0.00 179.97 179.08 1kn6 h VAL 69 N 0.00 0.04 0.00 0.08 -1.51 -1.82 -3.45 116.25 109.59 1kn6 h VAL 69 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 1kn6 h VAL 69 Cb 1.79 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 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 -3.77 7.19 -1.04 -0.64 -4.86 114.28 105.79 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 0.33 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.74 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 -0.18 -0.24 -0.05 -1.42 1.48 -1.21 -5.08 118.94 112.23 1kn6 s TRP 71 Ca 0.00 0.52 -0.00 0.00 -1.06 0.00 0.00 56.10 55.56 1kn6 s TRP 71 Cb 0.00 0.09 0.03 0.00 -1.16 0.00 0.00 33.47 32.43 1kn6 s TRP 71 CO 0.00 -0.26 -0.02 0.00 -4.06 0.00 0.00 176.95 172.61 1kn6 s ALA 72 N -0.56 0.63 -0.02 2.67 0.00 -1.26 -3.22 121.76 120.00 1kn6 s ALA 72 Ca -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1kn6 s ALA 72 Cb -0.04 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1kn6 s ALA 72 CO 0.02 -0.21 -0.01 -2.00 0.00 0.00 0.00 175.76 173.56 1kn6 s GLU 73 N 1.38 0.23 0.60 0.00 2.12 -1.19 -5.04 118.70 116.81 1kn6 s GLU 73 Ca -0.04 0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.29 1kn6 s GLU 73 Cb -0.13 -0.36 0.04 0.00 0.26 0.00 0.00 34.13 33.94 1kn6 s GLU 73 CO -0.02 -0.07 0.87 -0.65 -0.54 0.00 0.00 175.26 174.84 1kn6 s GLN 74 N 0.65 2.50 0.30 4.30 1.11 -1.26 -1.87 119.66 125.39 1kn6 s GLN 74 Ca -0.06 -0.48 -0.08 0.00 0.01 0.00 0.00 55.36 54.74 1kn6 s GLN 74 Cb -0.09 -2.36 0.00 0.00 -1.01 0.00 0.00 33.01 29.55 1kn6 s GLN 74 CO -0.01 -0.86 0.49 -0.65 0.01 0.00 0.00 175.29 174.26 1kn6 s GLN 75 N -4.94 1.75 0.00 2.91 1.11 -0.36 -4.79 119.66 115.34 1kn6 s GLN 75 Ca 0.57 -1.50 0.00 0.00 0.01 0.00 0.00 55.36 54.44 1kn6 s GLN 75 Cb -0.10 0.46 0.00 0.00 -1.01 0.00 0.00 33.01 32.36 1kn6 s GLN 75 CO 0.41 -0.73 0.00 0.66 0.01 0.00 0.00 175.29 175.64