#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 0.34 0.05 -2.13 -7.23 -1.19 -1.63 120.40 108.60 1kn6 s VAL 5 Ca 0.00 -0.09 -0.35 0.00 -1.81 0.00 0.00 61.98 59.73 1kn6 s VAL 5 Cb 0.00 -0.35 -0.14 0.00 0.56 0.00 0.00 36.38 36.44 1kn6 s VAL 5 CO 0.00 0.14 1.59 -0.46 -0.31 0.00 0.00 175.10 176.07 1kn6 n ASN 6 N 3.59 2.71 -3.33 4.85 6.94 -1.26 -4.09 115.26 124.68 1kn6 n ASN 6 Ca -0.20 1.07 -0.12 0.00 -0.02 0.00 0.00 54.58 55.30 1kn6 n ASN 6 Cb 0.54 -1.32 -0.07 0.00 -2.36 0.00 0.00 39.78 36.57 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 1.69 0.55 -0.11 -3.83 -1.05 0.27 -3.37 118.70 112.85 1kn6 s GLU 7 Ca 0.85 -0.38 -0.23 0.00 -0.15 0.00 0.00 54.97 55.06 1kn6 s GLU 7 Cb -0.79 -0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 32.38 1kn6 s GLU 7 CO 0.46 -1.12 0.69 -0.46 0.95 0.00 0.00 175.26 175.77 1kn6 s TRP 8 N 1.96 3.52 0.05 4.83 -0.00 0.13 -1.22 118.94 128.20 1kn6 s TRP 8 Ca 0.13 1.16 0.08 0.00 -0.00 0.00 0.00 56.10 57.48 1kn6 s TRP 8 Cb -0.13 -2.81 -0.03 0.00 -0.00 0.00 0.00 33.47 30.50 1kn6 s TRP 8 CO -0.16 0.00 -0.22 0.00 -0.00 0.00 0.00 176.95 176.57 1kn6 s ALA 9 N 1.16 1.89 0.18 5.86 0.00 -0.71 0.22 121.76 130.35 1kn6 s ALA 9 Ca 0.35 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1kn6 s ALA 9 Cb -0.17 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1kn6 s ALA 9 CO 0.15 0.43 0.28 0.00 0.00 0.00 0.00 175.76 176.62 1kn6 n ALA 10 N 1.74 -0.32 -3.64 0.00 0.00 0.48 -3.00 120.51 115.78 1kn6 n ALA 10 Ca -0.17 -0.77 -0.14 0.00 0.00 0.00 0.00 53.44 52.35 1kn6 n ALA 10 Cb 0.53 0.62 -0.13 0.00 0.00 0.00 0.00 19.45 20.46 1kn6 n ALA 10 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1kn6 s GLU 11 N -2.32 0.14 -0.21 0.00 2.02 -1.20 -1.12 118.70 116.02 1kn6 s GLU 11 Ca 0.13 0.65 -0.05 0.00 0.02 0.00 0.00 54.97 55.73 1kn6 s GLU 11 Cb -0.01 -0.22 0.11 0.00 0.10 0.00 0.00 34.13 34.11 1kn6 s GLU 11 CO 0.09 -0.34 0.38 0.96 0.02 0.00 0.00 175.26 176.37 1kn6 s ILE 12 N 2.39 -0.60 0.57 -1.63 -0.00 -1.01 -3.56 121.20 117.36 1kn6 s ILE 12 Ca 0.02 0.08 0.40 0.00 -0.00 0.00 0.00 60.65 61.16 1kn6 s ILE 12 Cb -0.13 -0.70 0.59 0.00 -0.00 0.00 0.00 42.46 42.23 1kn6 s ILE 12 CO -0.09 -0.01 1.59 -0.65 -0.00 0.00 0.00 174.94 175.79 1kn6 h PRO 13 N 8.19 0.00 0.00 0.37 0.11 -1.84 -3.37 132.00 135.46 1kn6 h PRO 13 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1kn6 h PRO 13 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1kn6 h PRO 13 CO 0.19 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.39 1kn6 n GLY 14 N -1.81 0.67 3.03 -0.55 0.00 -1.26 -4.70 105.19 100.57 1kn6 n GLY 14 Ca 0.33 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 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 4.74 -0.30 0.06 -0.02 0.00 -1.26 -4.75 105.19 103.66 1kn6 n GLY 15 Ca 0.00 0.03 -0.04 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 -0.40 0.00 0.00 1.61 4.20 -1.91 -1.91 115.11 116.71 1kn6 h GLN 16 Ca -0.27 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.36 1kn6 h GLN 16 Cb 0.87 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1kn6 h GLN 16 CO 0.41 0.25 -0.36 0.93 -0.67 0.00 0.00 178.83 179.39 1kn6 h GLU 17 N -1.00 0.00 0.00 1.46 5.08 -1.99 -3.16 114.58 114.98 1kn6 h GLU 17 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1kn6 h GLU 17 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1kn6 h GLU 17 CO -0.00 0.36 -0.04 0.00 -1.00 0.00 0.00 179.01 178.32 1kn6 h ALA 18 N 1.64 0.00 -0.69 3.43 0.00 -1.93 -2.33 119.26 119.38 1kn6 h ALA 18 Ca -0.00 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1kn6 h ALA 18 Cb 1.27 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1kn6 h ALA 18 CO 0.05 0.03 0.22 0.00 0.00 0.00 0.00 179.25 179.55 1kn6 h ALA 19 N -0.70 0.91 0.00 0.00 0.00 -1.48 0.44 119.26 118.43 1kn6 h ALA 19 Ca -0.01 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1kn6 h ALA 19 Cb 0.33 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1kn6 h ALA 19 CO -0.00 -0.26 -0.39 1.03 0.00 0.00 0.00 179.25 179.63 1kn6 h SER 20 N 0.35 0.00 0.88 0.00 0.87 -1.70 -2.95 113.55 111.00 1kn6 h SER 20 Ca 0.37 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.78 1kn6 h SER 20 Cb 0.57 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1kn6 h SER 20 CO -0.41 0.39 -0.74 0.00 -0.53 0.00 0.00 176.83 175.54 1kn6 h ALA 21 N 1.61 0.69 0.38 6.23 0.00 0.25 -3.16 119.26 125.26 1kn6 h ALA 21 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1kn6 h ALA 21 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1kn6 h ALA 21 CO 0.05 0.93 -0.18 0.82 0.00 0.00 0.00 179.25 180.87 1kn6 h ILE 22 N 0.00 0.45 -1.03 0.00 2.04 -0.24 0.34 117.51 119.06 1kn6 h ILE 22 Ca -0.01 -0.64 0.26 0.00 1.00 0.00 0.00 64.86 65.47 1kn6 h ILE 22 Cb 1.38 0.68 -0.11 0.00 -0.74 0.00 0.00 36.82 38.04 1kn6 h ILE 22 CO 0.10 0.09 0.65 0.00 0.00 0.00 0.00 178.15 178.98 1kn6 h ALA 23 N -0.62 2.08 0.02 1.87 0.00 -1.65 0.53 119.26 121.49 1kn6 h ALA 23 Ca -0.05 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1kn6 h ALA 23 Cb 0.54 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1kn6 h ALA 23 CO 0.09 -0.52 -1.06 0.93 0.00 0.00 0.00 179.25 178.68 1kn6 h GLU 24 N 0.46 0.04 0.54 0.00 5.08 -1.51 0.40 114.58 119.59 1kn6 h GLU 24 Ca 0.62 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.88 1kn6 h GLU 24 Cb 1.43 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.71 1kn6 h GLU 24 CO -0.36 1.02 -0.26 0.93 -1.00 0.00 0.00 179.01 179.34 1kn6 h GLU 25 N 0.01 -0.69 0.00 2.33 5.08 0.41 -3.40 114.58 118.32 1kn6 h GLU 25 Ca -0.04 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1kn6 h GLU 25 Cb 1.81 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 31.22 1kn6 h GLU 25 CO 0.14 -0.46 -0.09 1.37 -1.00 0.00 0.00 179.01 178.96 1kn6 h LEU 26 N -1.16 0.00 0.00 1.33 -0.00 -1.03 -3.50 115.31 110.96 1kn6 h LEU 26 Ca -0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1kn6 h LEU 26 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1kn6 h LEU 26 CO 0.12 0.63 0.00 0.61 -0.00 0.00 0.00 178.44 179.80 1kn6 n GLY 27 N 1.73 0.13 2.76 0.17 0.00 -0.63 -5.04 105.19 104.30 1kn6 n GLY 27 Ca -0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.18 -3.82 1.61 4.02 0.13 -4.98 117.16 112.94 1kn6 n TYR 28 Ca 0.00 -1.99 -0.34 0.00 -0.01 0.00 0.00 57.90 55.55 1kn6 n TYR 28 Cb 0.00 0.42 -0.12 0.00 -0.02 0.00 0.00 39.34 39.63 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 -2.81 4.95 -0.09 7.72 1.01 -1.09 -4.47 116.67 121.90 1kn6 s ASP 29 Ca 0.25 -2.71 -0.21 0.00 0.71 0.00 0.00 52.55 50.59 1kn6 s ASP 29 Cb -0.00 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.11 1kn6 s ASP 29 CO 0.18 -0.36 0.61 -0.22 0.21 0.00 0.00 175.17 175.59 1kn6 s LEU 30 N 0.14 4.29 -0.33 1.23 1.98 -1.26 -2.13 118.68 122.61 1kn6 s LEU 30 Ca 0.15 1.03 -0.00 0.00 -2.89 0.00 0.00 54.13 52.42 1kn6 s LEU 30 Cb -0.22 -2.93 0.13 0.00 0.66 0.00 0.00 46.19 43.84 1kn6 s LEU 30 CO -0.03 -0.08 0.26 -0.76 -1.89 0.00 0.00 176.35 173.86 1kn6 s LEU 31 N 0.77 0.24 -0.55 -0.68 2.01 0.17 -4.90 118.68 115.75 1kn6 s LEU 31 Ca 0.33 -1.41 0.04 0.00 0.01 0.00 0.00 54.13 53.10 1kn6 s LEU 31 Cb -0.17 0.14 0.17 0.00 0.01 0.00 0.00 46.19 46.34 1kn6 s LEU 31 CO 0.15 -0.35 0.41 -0.83 1.01 0.00 0.00 176.35 176.74 1kn6 s GLY 32 N 1.77 2.06 -0.47 -3.19 0.00 -1.26 -3.27 107.32 102.96 1kn6 s GLY 32 Ca 0.13 -3.12 0.06 0.00 0.00 0.00 0.00 44.72 41.79 1kn6 s GLY 32 CO -0.18 1.59 0.56 0.61 0.00 0.00 0.00 173.10 175.68 1kn6 n GLN 33 N 2.47 0.40 -0.02 2.90 10.64 -1.24 -4.68 117.38 127.84 1kn6 n GLN 33 Ca 0.24 -2.56 0.02 0.00 -1.83 0.00 0.00 57.00 52.87 1kn6 n GLN 33 Cb 0.41 -1.55 -0.09 0.00 -0.86 0.00 0.00 30.24 28.15 1kn6 n GLN 33 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1kn6 n ILE 34 N 2.81 0.23 0.00 -0.39 -0.00 -1.26 -5.01 119.36 115.74 1kn6 n ILE 34 Ca 0.23 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 1kn6 n ILE 34 Cb 0.53 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 40.11 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 1.98 1.20 0.54 3.28 0.00 -1.26 -4.65 105.19 106.28 1kn6 n GLY 35 Ca -0.07 -0.01 0.44 0.00 0.00 0.00 0.00 46.02 46.37 1kn6 n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kn6 n SER 36 N 2.74 0.14 -0.00 1.61 7.64 -1.26 -0.54 113.62 123.95 1kn6 n SER 36 Ca 0.00 1.22 0.01 0.00 1.01 0.00 0.00 58.87 61.11 1kn6 n SER 36 Cb 0.00 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.58 1kn6 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kn6 n LEU 37 N -4.40 0.02 -3.91 -3.43 -0.00 -1.26 -5.04 117.00 98.98 1kn6 n LEU 37 Ca 0.41 -0.09 -0.36 0.00 -0.00 0.00 0.00 56.01 55.97 1kn6 n LEU 37 Cb 1.68 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 45.11 1kn6 n LEU 37 CO 0.26 0.00 -0.16 -0.62 -0.00 0.00 0.00 177.39 176.88 1kn6 n GLU 38 N -1.49 -1.14 0.00 1.47 -0.58 0.30 -4.82 120.64 114.38 1kn6 n GLU 38 Ca -0.00 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1kn6 n GLU 38 Cb 0.06 -3.56 0.00 0.00 -0.57 0.00 0.00 31.44 27.36 1kn6 n GLU 38 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1kn6 n ASN 39 N -2.54 0.00 -3.34 1.62 2.04 -1.26 -3.96 115.26 107.82 1kn6 n ASN 39 Ca -0.15 0.00 -0.11 0.00 -0.44 0.00 0.00 54.58 53.89 1kn6 n ASN 39 Cb 0.60 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.78 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 -0.84 0.06 -2.53 2.46 -1.26 -2.41 115.29 110.77 1kn6 s HIS 40 Ca 0.00 0.38 0.08 0.00 0.47 0.00 0.00 55.06 55.99 1kn6 s HIS 40 Cb 0.00 -0.17 -0.03 0.00 -0.13 0.00 0.00 32.58 32.26 1kn6 s HIS 40 CO 0.00 -0.89 -0.23 0.71 -2.47 0.00 0.00 174.74 171.86 1kn6 s TYR 41 N 2.51 2.02 0.01 3.88 1.51 -0.27 -3.71 117.35 123.30 1kn6 s TYR 41 Ca 0.10 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.62 1kn6 s TYR 41 Cb -0.14 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.55 1kn6 s TYR 41 CO -0.26 0.14 0.32 -0.48 -1.11 0.00 0.00 175.55 174.16 1kn6 s LEU 42 N -1.35 0.81 0.15 -1.29 -0.00 -1.20 0.18 118.68 115.97 1kn6 s LEU 42 Ca 0.09 -0.03 0.10 0.00 -0.00 0.00 0.00 54.13 54.30 1kn6 s LEU 42 Cb -0.09 1.36 -0.04 0.00 -0.00 0.00 0.00 46.19 47.41 1kn6 s LEU 42 CO 0.02 -0.54 -0.22 -0.36 -0.00 0.00 0.00 176.35 175.26 1kn6 s PHE 43 N -1.92 2.40 -0.15 3.48 0.40 0.59 0.45 117.98 123.23 1kn6 s PHE 43 Ca -0.09 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 55.81 1kn6 s PHE 43 Cb -0.03 -1.25 0.05 0.00 0.51 0.00 0.00 43.02 42.29 1kn6 s PHE 43 CO 0.01 0.41 0.37 0.15 0.70 0.00 0.00 175.22 176.85 1kn6 s LYS 44 N -2.30 0.38 -0.40 0.44 3.01 -0.91 0.19 119.74 120.15 1kn6 s LYS 44 Ca 0.18 0.62 0.06 0.00 -1.01 0.00 0.00 55.97 55.83 1kn6 s LYS 44 Cb -0.10 0.07 0.22 0.00 -1.01 0.00 0.00 37.83 37.01 1kn6 s LYS 44 CO 0.09 -0.11 0.48 1.58 0.51 0.00 0.00 175.35 177.90 1kn6 n HIS 45 N 3.63 -0.79 0.89 3.18 -0.00 -1.22 -2.65 115.22 118.25 1kn6 n HIS 45 Ca -0.19 -3.33 0.00 0.00 0.46 0.00 0.00 57.72 54.66 1kn6 n HIS 45 Cb 0.56 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 1kn6 n HIS 45 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1kn6 n LYS 46 N 1.96 0.87 0.21 1.57 5.02 -1.26 -4.02 118.16 122.51 1kn6 n LYS 46 Ca 0.24 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.38 1kn6 n LYS 46 Cb 0.52 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 1kn6 n LYS 46 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1kn6 h SER 47 N 0.13 -0.43 0.07 4.39 4.64 -1.98 -3.36 113.55 117.01 1kn6 h SER 47 Ca 0.00 -0.07 -0.37 0.00 -0.47 0.00 0.00 61.79 60.88 1kn6 h SER 47 Cb 0.42 0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.57 1kn6 h SER 47 CO 0.00 -0.20 -2.30 0.00 -0.87 0.00 0.00 176.83 173.47 1kn6 n HIS 48 N -5.25 0.30 -1.53 4.77 -0.00 -1.26 -4.88 115.22 107.38 1kn6 n HIS 48 Ca -0.11 0.08 -0.27 0.00 -0.00 0.00 0.00 57.72 57.42 1kn6 n HIS 48 Cb 0.26 -1.04 -0.13 0.00 -0.00 0.00 0.00 29.99 29.08 1kn6 n HIS 48 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1kn6 n PRO 49 N -3.11 0.38 -1.19 -1.40 -0.02 -1.26 -4.75 135.00 123.65 1kn6 n PRO 49 Ca -0.37 -0.23 -0.28 0.00 -2.02 0.00 0.00 63.50 60.61 1kn6 n PRO 49 Cb 1.06 -2.37 0.10 0.00 -0.02 0.00 0.00 33.50 32.27 1kn6 n PRO 49 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kn6 n ARG 50 N 7.85 2.37 -2.57 -0.52 1.74 -1.26 -4.86 116.66 119.41 1kn6 n ARG 50 Ca 0.55 -2.82 -0.04 0.00 -0.77 0.00 0.00 57.85 54.77 1kn6 n ARG 50 Cb 0.28 -2.11 0.01 0.00 -1.02 0.00 0.00 32.46 29.62 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 -0.73 -2.34 -1.81 5.56 3.00 -1.22 -4.76 116.66 114.37 1kn6 n ARG 51 Ca 0.55 2.06 -0.00 0.00 -0.01 0.00 0.00 57.85 60.44 1kn6 n ARG 51 Cb 0.91 -4.84 0.00 0.00 0.00 0.00 0.00 32.46 28.53 1kn6 n ARG 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1kn6 n SER 52 N 0.02 -3.47 0.00 0.55 2.88 -0.65 -4.75 113.62 108.20 1kn6 n SER 52 Ca 0.06 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1kn6 n SER 52 Cb 0.23 -2.07 0.00 0.00 -0.75 0.00 0.00 64.21 61.63 1kn6 n SER 52 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1kn6 n ARG 53 N 0.02 0.00 -3.71 -1.46 0.00 -1.26 -5.10 116.66 105.15 1kn6 n ARG 53 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.72 1kn6 n ARG 53 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.45 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 -1.30 0.52 -3.66 -0.14 1.74 -1.26 -5.07 116.66 107.50 1kn6 n ARG 54 Ca 0.00 -2.52 -0.18 0.00 -0.77 0.00 0.00 57.85 54.38 1kn6 n ARG 54 Cb 0.00 2.31 -0.05 0.00 -1.02 0.00 0.00 32.46 33.70 1kn6 n ARG 54 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1kn6 n SER 55 N -1.76 1.19 -4.54 0.55 2.88 -1.26 -4.93 113.62 105.76 1kn6 n SER 55 Ca 0.02 -2.49 -0.31 0.00 -1.33 0.00 0.00 58.87 54.76 1kn6 n SER 55 Cb 0.50 0.70 0.18 0.00 -0.75 0.00 0.00 64.21 64.84 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 -1.68 -1.96 -1.00 -1.46 0.00 -1.26 -4.99 120.51 108.16 1kn6 n ALA 56 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1kn6 n ALA 56 Cb 0.42 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.65 0.00 -0.38 0.00 4.32 -1.26 -4.92 117.00 111.11 1kn6 n LEU 57 Ca 0.08 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.16 1kn6 n LEU 57 Cb 0.54 0.00 0.37 0.00 -1.62 0.00 0.00 43.42 42.70 1kn6 n LEU 57 CO 0.52 0.00 0.76 0.00 -1.22 0.00 0.00 177.39 177.44 1kn6 n HIS 58 N -0.56 0.17 1.02 -1.77 -0.00 -1.26 -3.25 115.22 109.57 1kn6 n HIS 58 Ca 0.00 -0.09 0.11 0.00 -0.00 0.00 0.00 57.72 57.74 1kn6 n HIS 58 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.06 1kn6 n HIS 58 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1kn6 n ILE 59 N -0.00 0.00 -1.27 0.61 2.08 -1.26 -4.02 119.36 115.49 1kn6 n ILE 59 Ca 0.14 -0.03 -0.21 0.00 0.56 0.00 0.00 62.75 63.20 1kn6 n ILE 59 Cb 0.23 0.69 0.18 0.00 -0.75 0.00 0.00 39.64 39.99 1kn6 n ILE 59 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1kn6 n THR 60 N -1.31 3.12 0.00 1.39 -1.04 -1.20 -4.04 114.28 111.19 1kn6 n THR 60 Ca 0.06 -2.09 0.00 0.00 -2.04 0.00 0.00 64.05 59.98 1kn6 n THR 60 Cb 0.34 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 1kn6 n THR 60 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1kn6 n LYS 61 N -1.14 0.00 0.10 -2.82 -0.00 -1.26 -4.77 118.16 108.27 1kn6 n LYS 61 Ca 0.56 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.97 1kn6 n LYS 61 Cb 1.55 0.00 0.44 0.00 -0.00 0.00 0.00 35.03 37.02 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 -1.20 0.14 0.01 -1.58 5.12 -1.26 -2.41 116.66 115.47 1kn6 n ARG 62 Ca 0.00 0.39 -0.01 0.00 -1.93 0.00 0.00 57.85 56.30 1kn6 n ARG 62 Cb 0.00 -1.77 -0.00 0.00 -1.16 0.00 0.00 32.46 29.52 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 0.00 -0.05 -0.74 0.55 5.85 -1.85 -2.00 115.31 117.07 1kn6 h LEU 63 Ca 0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 1kn6 h LEU 63 Cb 0.31 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 1kn6 h LEU 63 CO 0.00 0.12 0.24 0.77 -0.34 0.00 0.00 178.44 179.23 1kn6 h SER 64 N -0.37 0.14 -0.54 1.25 4.64 -1.77 1.69 113.55 118.59 1kn6 h SER 64 Ca -0.01 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1kn6 h SER 64 Cb 0.04 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1kn6 h SER 64 CO 0.01 0.02 0.24 -0.78 -0.87 0.00 0.00 176.83 175.46 1kn6 h ASP 65 N 0.35 0.71 0.23 4.97 1.82 -1.62 -2.77 116.42 120.11 1kn6 h ASP 65 Ca 0.42 -0.14 -0.33 0.00 -0.39 0.00 0.00 57.03 56.59 1kn6 h ASP 65 Cb 0.68 -0.18 0.03 0.00 0.68 0.00 0.00 39.33 40.54 1kn6 h ASP 65 CO -0.46 0.66 -1.48 0.44 -1.61 0.00 0.00 179.24 176.79 1kn6 h ASP 66 N 0.72 0.76 0.00 2.28 5.19 -0.39 -3.28 116.42 121.71 1kn6 h ASP 66 Ca 0.18 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 55.67 1kn6 h ASP 66 Cb 0.14 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1kn6 h ASP 66 CO -0.02 1.70 0.00 0.47 -3.12 0.00 0.00 179.24 178.27 1kn6 n ASP 67 N -3.74 0.00 0.18 6.45 9.92 0.56 -3.48 116.55 126.45 1kn6 n ASP 67 Ca -0.18 -0.70 0.15 0.00 -0.53 0.00 0.00 54.79 53.53 1kn6 n ASP 67 Cb 1.07 0.00 0.53 0.00 -0.64 0.00 0.00 41.12 42.08 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 -0.51 -1.24 -0.00 -1.55 -2.60 114.38 108.48 1kn6 h ARG 68 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.03 1kn6 h ARG 68 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 29.91 1kn6 h ARG 68 CO 0.00 0.00 -0.30 1.33 -0.00 0.00 0.00 179.97 181.00 1kn6 n VAL 69 N -3.04 -0.34 0.00 0.08 0.24 -1.23 -4.63 118.33 109.41 1kn6 n VAL 69 Ca 0.05 1.32 0.00 0.00 -2.04 0.00 0.00 64.34 63.67 1kn6 n VAL 69 Cb 0.80 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 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 -4.47 0.00 -3.81 3.34 -1.04 -0.98 -5.00 114.28 102.32 1kn6 n THR 70 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.90 1kn6 n THR 70 Cb 0.13 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.21 -0.09 -0.20 -1.42 1.48 -1.23 -5.08 118.94 112.18 1kn6 s TRP 71 Ca 0.00 0.11 -0.05 0.00 -1.06 0.00 0.00 56.10 55.10 1kn6 s TRP 71 Cb 0.00 0.03 0.10 0.00 -1.16 0.00 0.00 33.47 32.45 1kn6 s TRP 71 CO 0.00 -0.34 0.36 0.00 -4.06 0.00 0.00 176.95 172.92 1kn6 s ALA 72 N -1.30 -0.98 0.04 2.67 0.00 -1.26 -3.22 121.76 117.71 1kn6 s ALA 72 Ca -0.14 1.11 0.03 0.00 0.00 0.00 0.00 51.96 52.96 1kn6 s ALA 72 Cb -0.06 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1kn6 s ALA 72 CO 0.03 -0.96 -0.10 -2.00 0.00 0.00 0.00 175.76 172.73 1kn6 s GLU 73 N 2.54 0.65 0.59 0.00 2.12 -1.16 -4.94 118.70 118.50 1kn6 s GLU 73 Ca 0.05 -0.70 -0.03 0.00 0.36 0.00 0.00 54.97 54.65 1kn6 s GLU 73 Cb -0.14 -0.55 0.03 0.00 0.26 0.00 0.00 34.13 33.74 1kn6 s GLU 73 CO -0.13 0.12 0.87 -0.65 -0.54 0.00 0.00 175.26 174.93 1kn6 s GLN 74 N -1.26 2.65 0.13 4.30 -0.21 -1.26 -1.74 119.66 122.26 1kn6 s GLN 74 Ca -0.04 -0.34 -0.12 0.00 0.02 0.00 0.00 55.36 54.88 1kn6 s GLN 74 Cb -0.08 -2.34 0.01 0.00 1.00 0.00 0.00 33.01 31.60 1kn6 s GLN 74 CO 0.01 -0.79 0.32 -1.14 -2.12 0.00 0.00 175.29 171.57 1kn6 s GLN 75 N -4.94 1.06 0.00 2.91 0.74 -0.36 -4.78 119.66 114.29 1kn6 s GLN 75 Ca 0.56 -0.92 0.00 0.00 0.05 0.00 0.00 55.36 55.05 1kn6 s GLN 75 Cb -0.10 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.42 1kn6 s GLN 75 CO 0.42 -0.39 0.00 0.66 -0.55 0.00 0.00 175.29 175.43