#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kn5 s GLN 2 N 0.00 3.75 -0.06 0.03 -0.21 -1.26 -1.42 119.66 120.49 2kn5 s GLN 2 Ca 0.00 0.55 -0.22 0.00 0.02 0.00 0.00 55.36 55.71 2kn5 s GLN 2 Cb 0.00 -2.30 0.05 0.00 1.00 0.00 0.00 33.01 31.76 2kn5 s GLN 2 CO 0.00 -0.17 0.50 -1.50 -2.12 0.00 0.00 175.29 172.00 2kn5 s ILE 3 N -2.57 0.02 -0.27 1.08 2.07 -1.05 -4.12 121.20 116.36 2kn5 s ILE 3 Ca 0.53 -0.20 -0.08 0.00 -1.41 0.00 0.00 60.65 59.49 2kn5 s ILE 3 Cb -0.10 -0.79 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 2kn5 s ILE 3 CO 0.36 -0.11 0.10 -0.36 -1.91 0.00 0.00 174.94 173.02 2kn5 s PHE 4 N -0.99 3.12 -0.16 3.50 0.40 -0.71 -2.29 117.98 120.84 2kn5 s PHE 4 Ca -0.10 -0.51 -0.08 0.00 -0.60 0.00 0.00 56.93 55.63 2kn5 s PHE 4 Cb -0.03 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 2kn5 s PHE 4 CO 0.06 -0.40 0.13 0.08 0.70 0.00 0.00 175.22 175.78 2kn5 s VAL 5 N 1.61 5.38 0.11 -0.44 1.01 -0.22 -1.20 120.40 126.65 2kn5 s VAL 5 Ca 0.05 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 2kn5 s VAL 5 Cb -0.16 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 2kn5 s VAL 5 CO 0.04 0.52 0.52 -0.54 0.00 0.00 0.00 175.10 175.64 2kn5 s LYS 6 N -0.25 3.98 0.07 2.72 -0.14 -0.91 -1.51 119.74 123.69 2kn5 s LYS 6 Ca 0.11 0.48 0.02 0.00 -1.36 0.00 0.00 55.97 55.21 2kn5 s LYS 6 Cb -0.12 -3.01 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 2kn5 s LYS 6 CO 0.01 0.53 -0.07 0.95 -0.76 0.00 0.00 175.35 176.01 2kn5 s THR 7 N -1.37 0.57 -1.15 2.17 -4.23 -1.26 -2.71 115.64 107.66 2kn5 s THR 7 Ca 0.34 -1.49 0.13 0.00 -1.18 0.00 0.00 61.69 59.50 2kn5 s THR 7 Cb -0.16 -1.11 0.15 0.00 1.34 0.00 0.00 72.50 72.72 2kn5 s THR 7 CO 0.18 -0.64 1.40 0.18 -0.54 0.00 0.00 174.62 175.21 2kn5 n LEU 8 N 0.74 0.00 -0.39 4.79 4.77 -1.26 -1.89 117.00 123.76 2kn5 n LEU 8 Ca -0.18 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.36 2kn5 n LEU 8 Cb 0.58 -0.43 0.55 0.00 -2.33 0.00 0.00 43.42 41.79 2kn5 n LEU 8 CO 0.25 -0.23 0.88 0.41 -1.33 0.00 0.00 177.39 177.36 2kn5 n THR 9 N -1.43 0.06 -1.11 -5.08 -1.04 -1.26 -4.87 114.28 99.55 2kn5 n THR 9 Ca 0.04 -0.22 -0.04 0.00 -2.04 0.00 0.00 64.05 61.80 2kn5 n THR 9 Cb 0.14 0.24 -0.02 0.00 -1.82 0.00 0.00 70.33 68.87 2kn5 n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kn5 n GLY 10 N 1.10 0.67 3.32 3.41 0.00 -0.79 -5.02 105.19 107.89 2kn5 n GLY 10 Ca 0.18 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2kn5 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kn5 s LYS 11 N -1.97 2.73 0.47 1.61 2.47 -1.26 -5.01 119.74 118.77 2kn5 s LYS 11 Ca 0.00 -1.30 -0.24 0.00 -1.56 0.00 0.00 55.97 52.86 2kn5 s LYS 11 Cb 0.00 -3.79 -0.07 0.00 -1.46 0.00 0.00 37.83 32.50 2kn5 s LYS 11 CO 0.00 -0.86 1.38 0.99 0.16 0.00 0.00 175.35 177.02 2kn5 s THR 12 N 1.50 2.21 0.00 3.43 2.01 -1.26 -4.29 115.64 119.24 2kn5 s THR 12 Ca 0.02 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.28 2kn5 s THR 12 Cb -0.22 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 2kn5 s THR 12 CO 0.04 0.02 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.13 2kn5 s ILE 13 N -1.25 1.85 -0.15 1.82 1.01 -0.57 -4.99 121.20 118.91 2kn5 s ILE 13 Ca 0.63 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2kn5 s ILE 13 Cb -0.41 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.51 2kn5 s ILE 13 CO 0.52 0.45 -0.18 -0.89 0.00 0.00 0.00 174.94 174.85 2kn5 s THR 14 N -0.62 2.46 -0.03 2.92 2.01 -1.26 -1.06 115.64 120.05 2kn5 s THR 14 Ca 0.09 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.29 2kn5 s THR 14 Cb -0.09 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2kn5 s THR 14 CO -0.00 0.53 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.55 2kn5 s LEU 15 N 0.83 2.71 -0.15 4.42 1.43 -0.97 -4.94 118.68 122.00 2kn5 s LEU 15 Ca -0.06 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.66 2kn5 s LEU 15 Cb -0.15 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 2kn5 s LEU 15 CO -0.01 0.33 0.33 -1.61 0.23 0.00 0.00 176.35 175.62 2kn5 s GLU 16 N -0.85 4.28 0.10 1.70 2.02 -1.26 -2.52 118.70 122.16 2kn5 s GLU 16 Ca 0.12 0.17 -0.02 0.00 0.02 0.00 0.00 54.97 55.26 2kn5 s GLU 16 Cb -0.11 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 2kn5 s GLU 16 CO 0.01 0.21 0.05 0.14 0.02 0.00 0.00 175.26 175.69 2kn5 s VAL 17 N 0.53 0.15 -0.04 2.63 -7.23 -0.51 -4.91 120.40 111.03 2kn5 s VAL 17 Ca 0.18 -1.78 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 2kn5 s VAL 17 Cb -0.13 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 2kn5 s VAL 17 CO 0.05 -0.67 0.45 -1.61 -0.31 0.00 0.00 175.10 173.01 2kn5 s GLU 18 N -3.98 4.12 0.61 4.82 0.41 -1.26 0.21 118.70 123.62 2kn5 s GLU 18 Ca 0.16 0.47 0.30 0.00 -0.41 0.00 0.00 54.97 55.48 2kn5 s GLU 18 Cb 0.07 -3.31 1.63 0.00 -1.78 0.00 0.00 34.13 30.75 2kn5 s GLU 18 CO -0.04 0.48 2.02 -1.35 -0.49 0.00 0.00 175.26 175.88 2kn5 h PRO 19 N 5.46 0.00 -0.08 0.39 0.11 -2.00 1.00 132.00 136.87 2kn5 h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kn5 h PRO 19 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kn5 h PRO 19 CO 0.67 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 2kn5 n SER 20 N -3.59 0.47 -4.85 -2.05 3.41 -1.26 -4.22 113.62 101.53 2kn5 n SER 20 Ca 0.03 -1.94 -0.32 0.00 -0.26 0.00 0.00 58.87 56.38 2kn5 n SER 20 Cb 0.43 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 2kn5 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2kn5 s ASP 21 N -1.07 6.71 0.35 4.04 1.01 0.34 -5.01 116.67 123.04 2kn5 s ASP 21 Ca 0.09 1.32 0.01 0.00 0.71 0.00 0.00 52.55 54.68 2kn5 s ASP 21 Cb 0.04 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 2kn5 s ASP 21 CO 0.06 -0.32 0.55 0.42 0.21 0.00 0.00 175.17 176.09 2kn5 s THR 22 N -2.18 4.87 0.26 -1.27 -4.23 -1.26 -3.32 115.64 108.51 2kn5 s THR 22 Ca 0.55 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 2kn5 s THR 22 Cb -0.10 -3.77 0.27 0.00 1.34 0.00 0.00 72.50 70.23 2kn5 s THR 22 CO 0.22 -0.48 1.67 0.40 -0.54 0.00 0.00 174.62 175.89 2kn5 h ILE 23 N 0.73 0.43 0.00 2.99 1.08 -1.65 0.26 117.51 121.35 2kn5 h ILE 23 Ca -0.49 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2kn5 h ILE 23 Cb 1.23 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 2kn5 h ILE 23 CO 0.60 0.04 0.00 -0.08 -0.69 0.00 0.00 178.15 178.02 2kn5 h GLU 24 N 0.24 0.00 -0.02 2.37 4.81 -1.84 0.14 114.58 120.28 2kn5 h GLU 24 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2kn5 h GLU 24 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2kn5 h GLU 24 CO -0.58 0.00 -0.02 -1.71 -0.73 0.00 0.00 179.01 175.97 2kn5 n ASN 25 N -2.62 1.56 -0.07 1.04 2.85 0.91 -3.26 115.26 115.67 2kn5 n ASN 25 Ca -0.01 -1.48 -0.12 0.00 -0.11 0.00 0.00 54.58 52.86 2kn5 n ASN 25 Cb 0.10 0.01 -0.15 0.00 1.24 0.00 0.00 39.78 40.99 2kn5 n ASN 25 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2kn5 n VAL 26 N 0.18 1.52 0.21 3.44 0.31 0.48 -3.56 118.33 120.90 2kn5 n VAL 26 Ca 0.18 -0.78 0.10 0.00 -0.01 0.00 0.00 64.34 63.84 2kn5 n VAL 26 Cb 0.37 -0.92 0.16 0.00 -0.91 0.00 0.00 33.84 32.54 2kn5 n VAL 26 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2kn5 h LYS 27 N 0.01 0.00 0.14 5.55 1.57 -1.53 -3.21 116.57 119.09 2kn5 h LYS 27 Ca -0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2kn5 h LYS 27 Cb 2.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.41 2kn5 h LYS 27 CO 0.03 0.10 -0.07 0.00 -0.57 0.00 0.00 179.45 178.94 2kn5 h ALA 28 N 1.90 -0.19 -1.30 3.86 0.00 -1.69 -2.89 119.26 118.96 2kn5 h ALA 28 Ca -0.00 -0.16 0.38 0.00 0.00 0.00 0.00 54.91 55.12 2kn5 h ALA 28 Cb 1.06 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2kn5 h ALA 28 CO 0.01 -0.20 0.96 -0.22 0.00 0.00 0.00 179.25 179.80 2kn5 h LYS 29 N -0.99 0.00 0.02 0.00 1.63 -1.66 0.33 116.57 115.90 2kn5 h LYS 29 Ca -0.02 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 2kn5 h LYS 29 Cb 0.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2kn5 h LYS 29 CO 0.03 0.00 -0.20 0.82 -3.45 0.00 0.00 179.45 176.65 2kn5 h ILE 30 N 0.00 1.63 -0.55 2.00 2.04 -1.63 -2.91 117.51 118.08 2kn5 h ILE 30 Ca 0.62 -2.10 0.14 0.00 1.00 0.00 0.00 64.86 64.51 2kn5 h ILE 30 Cb 2.53 3.01 -0.03 0.00 -0.74 0.00 0.00 36.82 41.59 2kn5 h ILE 30 CO -0.01 0.56 0.39 -0.61 0.00 0.00 0.00 178.15 178.49 2kn5 h GLN 31 N -0.67 0.13 0.00 2.37 -0.00 -0.26 0.75 115.11 117.42 2kn5 h GLN 31 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2kn5 h GLN 31 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.49 2kn5 h GLN 31 CO 0.04 0.08 0.00 -0.44 0.00 0.00 0.00 178.83 178.51 2kn5 h ASP 32 N 0.13 0.00 0.00 -0.69 3.32 -0.57 -3.28 116.42 115.33 2kn5 h ASP 32 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2kn5 h ASP 32 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2kn5 h ASP 32 CO -0.03 0.00 -0.70 1.17 -1.72 0.00 0.00 179.24 177.96 2kn5 n LYS 33 N -2.39 0.00 0.05 3.56 3.00 0.24 -4.91 118.16 117.71 2kn5 n LYS 33 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.09 2kn5 n LYS 33 Cb 0.15 -0.46 -0.15 0.00 0.00 0.00 0.00 35.03 34.58 2kn5 n LYS 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2kn5 h GLU 34 N 0.00 0.35 0.00 1.64 5.08 -1.28 -3.49 114.58 116.88 2kn5 h GLU 34 Ca 0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 2kn5 h GLU 34 Cb 0.70 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kn5 h GLU 34 CO 0.00 1.29 0.00 0.41 -1.00 0.00 0.00 179.01 179.71 2kn5 n GLY 35 N 1.84 1.22 3.71 -3.84 0.00 -1.24 -5.06 105.19 101.82 2kn5 n GLY 35 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2kn5 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kn5 s ILE 36 N -2.00 4.92 0.30 -0.61 -1.09 -1.26 -4.98 121.20 116.48 2kn5 s ILE 36 Ca 0.00 1.81 -0.30 0.00 -2.23 0.00 0.00 60.65 59.94 2kn5 s ILE 36 Cb 0.00 -4.21 -0.12 0.00 -1.58 0.00 0.00 42.46 36.55 2kn5 s ILE 36 CO 0.00 0.16 1.44 -2.65 -1.23 0.00 0.00 174.94 172.66 2kn5 n PRO 37 N 4.09 2.33 0.01 2.79 -0.02 -1.26 -4.03 135.00 138.91 2kn5 n PRO 37 Ca 0.04 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 2kn5 n PRO 37 Cb 0.51 -2.50 0.56 0.00 -0.02 0.00 0.00 33.50 32.04 2kn5 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2kn5 h PRO 38 N 3.76 0.25 -0.07 0.52 0.11 -1.95 -1.70 132.00 132.92 2kn5 h PRO 38 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kn5 h PRO 38 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kn5 h PRO 38 CO 0.72 0.17 0.00 -0.25 -0.21 0.00 0.00 178.00 178.42 2kn5 n ASP 39 N -4.47 0.56 -0.55 -2.05 8.00 -1.26 -2.54 116.55 114.24 2kn5 n ASP 39 Ca 0.06 -1.67 0.06 0.00 0.71 0.00 0.00 54.79 53.96 2kn5 n ASP 39 Cb 0.33 -0.05 0.08 0.00 -0.02 0.00 0.00 41.12 41.46 2kn5 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kn5 n GLN 40 N -0.35 1.27 -3.63 -1.24 6.02 -0.64 -4.97 117.38 113.85 2kn5 n GLN 40 Ca 0.11 -1.47 -0.38 0.00 -0.01 0.00 0.00 57.00 55.26 2kn5 n GLN 40 Cb 0.13 -1.25 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 2kn5 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2kn5 s GLN 41 N -1.02 3.76 -0.32 -1.09 -0.21 -1.05 -0.72 119.66 119.01 2kn5 s GLN 41 Ca 0.17 0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.79 2kn5 s GLN 41 Cb 0.11 -3.21 0.10 0.00 1.00 0.00 0.00 33.01 31.01 2kn5 s GLN 41 CO 0.16 0.72 0.08 1.03 -2.12 0.00 0.00 175.29 175.16 2kn5 s ARG 42 N -1.04 0.96 -0.21 2.91 0.52 0.11 -4.92 118.95 117.27 2kn5 s ARG 42 Ca 0.21 -1.33 -0.16 0.00 -0.52 0.00 0.00 55.73 53.93 2kn5 s ARG 42 Cb -0.15 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 2kn5 s ARG 42 CO 0.10 -0.97 0.42 -0.51 0.02 0.00 0.00 175.30 174.36 2kn5 s LEU 43 N 1.39 4.14 -0.14 2.53 1.02 -1.26 -0.66 118.68 125.70 2kn5 s LEU 43 Ca 0.10 0.52 -0.01 0.00 0.02 0.00 0.00 54.13 54.76 2kn5 s LEU 43 Cb -0.18 -2.54 -0.02 0.00 0.02 0.00 0.00 46.19 43.47 2kn5 s LEU 43 CO -0.20 -0.11 -0.10 -0.63 0.02 0.00 0.00 176.35 175.33 2kn5 s ILE 44 N 1.47 3.32 -0.03 -0.59 -1.09 -0.77 -1.93 121.20 121.57 2kn5 s ILE 44 Ca 0.20 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 58.05 2kn5 s ILE 44 Cb -0.15 -2.42 0.03 0.00 -1.58 0.00 0.00 42.46 38.34 2kn5 s ILE 44 CO 0.08 0.51 0.04 0.12 -1.23 0.00 0.00 174.94 174.46 2kn5 s PHE 45 N 0.43 0.04 -1.44 3.97 5.36 -0.15 -1.94 117.98 124.25 2kn5 s PHE 45 Ca -0.08 0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 56.02 2kn5 s PHE 45 Cb -0.15 -0.31 0.02 0.00 -0.34 0.00 0.00 43.02 42.23 2kn5 s PHE 45 CO 0.04 -0.12 0.40 0.00 -1.46 0.00 0.00 175.22 174.08 2kn5 n ALA 46 N 4.55 -0.92 0.00 11.12 0.00 -1.26 -1.78 120.51 132.21 2kn5 n ALA 46 Ca -0.20 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kn5 n ALA 46 Cb 0.50 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.94 2kn5 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kn5 n GLY 47 N -1.25 2.65 3.89 0.00 0.00 -1.26 -5.04 105.19 104.18 2kn5 n GLY 47 Ca -0.11 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2kn5 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kn5 s LYS 48 N 0.00 2.87 0.29 1.61 1.02 -0.74 -5.08 119.74 119.72 2kn5 s LYS 48 Ca 0.00 0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.34 2kn5 s LYS 48 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 2kn5 s LYS 48 CO 0.00 -0.96 0.48 1.14 -0.92 0.00 0.00 175.35 175.10 2kn5 s GLN 49 N -5.27 3.50 -0.11 1.68 -2.07 -1.26 -0.98 119.66 115.14 2kn5 s GLN 49 Ca 0.57 -0.39 -0.10 0.00 -1.82 0.00 0.00 55.36 53.62 2kn5 s GLN 49 Cb -0.11 -2.74 -0.05 0.00 -1.09 0.00 0.00 33.01 29.03 2kn5 s GLN 49 CO 0.50 0.26 0.22 -0.51 -1.32 0.00 0.00 175.29 174.44 2kn5 s LEU 50 N -3.99 4.36 0.13 2.60 1.43 -0.81 -4.86 118.68 117.54 2kn5 s LEU 50 Ca 0.39 0.54 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 2kn5 s LEU 50 Cb -0.10 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2kn5 s LEU 50 CO 0.33 0.31 0.03 -1.61 0.23 0.00 0.00 176.35 175.64 2kn5 s GLU 51 N -0.60 2.58 0.26 1.70 2.02 -1.26 -4.82 118.70 118.58 2kn5 s GLU 51 Ca 0.16 -0.93 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 2kn5 s GLU 51 Cb -0.13 -2.50 0.40 0.00 0.10 0.00 0.00 34.13 32.00 2kn5 s GLU 51 CO 0.05 0.50 1.86 -0.44 0.02 0.00 0.00 175.26 177.25 2kn5 h ASP 52 N 2.96 0.94 1.19 -0.19 5.19 -1.99 -2.45 116.42 122.08 2kn5 h ASP 52 Ca -0.47 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2kn5 h ASP 52 Cb 1.19 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2kn5 h ASP 52 CO 0.60 0.59 -0.41 1.23 -3.12 0.00 0.00 179.24 178.13 2kn5 h GLY 53 N 1.07 0.00 -1.26 2.75 0.00 -1.99 -3.34 103.07 100.30 2kn5 h GLY 53 Ca 0.42 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.25 2kn5 h GLY 53 CO -0.19 0.00 0.38 0.50 0.00 0.00 0.00 176.54 177.23 2kn5 s ARG 54 N -3.17 2.99 0.47 4.80 1.81 -0.92 -4.97 118.95 119.95 2kn5 s ARG 54 Ca 0.07 0.79 0.04 0.00 -1.72 0.00 0.00 55.73 54.90 2kn5 s ARG 54 Cb 0.12 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.57 2kn5 s ARG 54 CO 0.69 -1.02 0.02 0.95 -0.68 0.00 0.00 175.30 175.26 2kn5 s THR 55 N -3.14 1.54 0.41 0.02 -4.23 -1.26 -2.68 115.64 106.29 2kn5 s THR 55 Ca 0.58 -1.98 0.25 0.00 -1.18 0.00 0.00 61.69 59.36 2kn5 s THR 55 Cb -0.13 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.46 2kn5 s THR 55 CO 0.54 0.00 2.04 -0.07 -0.54 0.00 0.00 174.62 176.60 2kn5 h LEU 56 N 1.51 0.00 0.00 4.79 4.07 -1.74 -2.43 115.31 121.51 2kn5 h LEU 56 Ca -0.44 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.42 2kn5 h LEU 56 Cb 1.28 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.03 2kn5 h LEU 56 CO 0.76 0.14 -0.39 -1.28 -1.08 0.00 0.00 178.44 176.59 2kn5 h SER 57 N 0.00 0.34 -0.87 -0.43 0.87 -1.85 -0.18 113.55 111.43 2kn5 h SER 57 Ca -0.00 -0.78 0.20 0.00 -1.23 0.00 0.00 61.79 59.98 2kn5 h SER 57 Cb 0.36 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.15 2kn5 h SER 57 CO 0.02 1.08 0.59 0.44 -0.53 0.00 0.00 176.83 178.42 2kn5 h ASP 58 N -0.35 0.35 -0.29 6.23 3.32 -1.83 0.10 116.42 123.95 2kn5 h ASP 58 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kn5 h ASP 58 Cb 1.14 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2kn5 h ASP 58 CO 0.08 0.14 0.00 -1.22 -1.72 0.00 0.00 179.24 176.52 2kn5 n TYR 59 N -4.48 0.37 -2.85 4.55 4.01 -1.01 -4.95 117.16 112.80 2kn5 n TYR 59 Ca 0.18 -0.19 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 2kn5 n TYR 59 Cb 0.71 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.74 2kn5 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2kn5 n ASN 60 N 0.74 -4.88 -4.65 7.72 4.13 0.35 -4.87 115.26 113.80 2kn5 n ASN 60 Ca 0.17 -0.14 -0.43 0.00 1.68 0.00 0.00 54.58 55.87 2kn5 n ASN 60 Cb 0.41 -4.03 -0.03 0.00 -1.54 0.00 0.00 39.78 34.60 2kn5 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kn5 s ILE 61 N -2.94 3.68 0.00 2.41 -1.09 -0.11 -4.98 121.20 118.18 2kn5 s ILE 61 Ca 0.19 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 2kn5 s ILE 61 Cb -0.09 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2kn5 s ILE 61 CO 0.24 -0.15 0.00 0.00 -1.23 0.00 0.00 174.94 173.80 2kn5 n GLN 62 N 7.29 2.15 -2.21 2.79 10.64 -1.26 -4.78 117.38 132.00 2kn5 n GLN 62 Ca 0.18 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.92 2kn5 n GLN 62 Cb 0.44 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.79 2kn5 n GLN 62 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2kn5 s LYS 63 N -0.91 4.25 -1.17 2.61 2.20 -1.26 -3.04 119.74 122.41 2kn5 s LYS 63 Ca 0.00 1.96 -0.00 0.00 -0.36 0.00 0.00 55.97 57.57 2kn5 s LYS 63 Cb 0.00 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2kn5 s LYS 63 CO 0.00 -0.66 0.98 0.39 -0.36 0.00 0.00 175.35 175.70 2kn5 n GLU 64 N 5.96 -6.49 -3.68 4.03 1.02 -1.26 -5.01 120.64 115.22 2kn5 n GLU 64 Ca 0.14 0.83 -0.32 0.00 -0.02 0.00 0.00 57.16 57.79 2kn5 n GLU 64 Cb 0.44 -5.79 -0.05 0.00 -0.02 0.00 0.00 31.44 26.01 2kn5 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kn5 s SER 65 N -4.33 6.50 -0.12 1.62 0.01 -1.17 -4.89 113.70 111.32 2kn5 s SER 65 Ca 0.00 0.59 -0.06 0.00 1.31 0.00 0.00 55.95 57.80 2kn5 s SER 65 Cb -0.00 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2kn5 s SER 65 CO 0.71 0.08 0.10 -0.89 0.41 0.00 0.00 173.24 173.65 2kn5 s THR 66 N -1.60 5.15 -0.03 1.44 2.01 -1.26 -1.74 115.64 119.60 2kn5 s THR 66 Ca 0.39 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.53 2kn5 s THR 66 Cb -0.12 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 2kn5 s THR 66 CO 0.24 0.60 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.77 2kn5 s LEU 67 N -0.88 2.18 0.09 4.42 1.43 -0.34 -4.83 118.68 120.75 2kn5 s LEU 67 Ca 0.14 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 2kn5 s LEU 67 Cb -0.12 -1.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 2kn5 s LEU 67 CO 0.03 0.31 0.50 -1.00 0.23 0.00 0.00 176.35 176.42 2kn5 s HIS 68 N -0.55 3.66 -0.38 0.29 3.76 -0.82 -2.14 115.29 119.12 2kn5 s HIS 68 Ca 0.08 1.04 -0.05 0.00 -0.15 0.00 0.00 55.06 55.98 2kn5 s HIS 68 Cb -0.11 -2.34 0.08 0.00 1.11 0.00 0.00 32.58 31.33 2kn5 s HIS 68 CO 0.00 0.52 0.17 -1.17 -0.85 0.00 0.00 174.74 173.41 2kn5 s LEU 69 N -1.62 4.88 0.07 0.89 2.96 -1.10 -1.85 118.68 122.90 2kn5 s LEU 69 Ca 0.33 -1.66 -0.12 0.00 -0.22 0.00 0.00 54.13 52.46 2kn5 s LEU 69 Cb -0.16 -1.85 -0.06 0.00 0.50 0.00 0.00 46.19 44.62 2kn5 s LEU 69 CO 0.18 -0.47 0.43 -0.69 -1.32 0.00 0.00 176.35 174.48 2kn5 s VAL 70 N 1.26 5.03 -0.40 1.68 1.01 0.17 -4.69 120.40 124.46 2kn5 s VAL 70 Ca 0.03 0.63 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 2kn5 s VAL 70 Cb -0.22 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.54 2kn5 s VAL 70 CO -0.01 0.36 0.23 -0.22 0.00 0.00 0.00 175.10 175.46 2kn5 s LEU 71 N -1.70 4.98 0.16 3.92 2.96 -1.26 0.04 118.68 127.78 2kn5 s LEU 71 Ca 0.31 -1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 52.56 2kn5 s LEU 71 Cb -0.15 -1.98 -0.08 0.00 0.50 0.00 0.00 46.19 44.48 2kn5 s LEU 71 CO 0.17 -0.48 1.21 -0.60 -1.32 0.00 0.00 176.35 175.33 2kn5 s ARG 72 N 1.45 4.47 -0.50 1.98 3.52 0.11 -4.99 118.95 124.98 2kn5 s ARG 72 Ca 0.02 1.87 -0.18 0.00 -0.13 0.00 0.00 55.73 57.32 2kn5 s ARG 72 Cb -0.22 -3.26 0.07 0.00 -1.56 0.00 0.00 34.95 29.98 2kn5 s ARG 72 CO 0.03 -0.14 0.54 -0.51 -0.81 0.00 0.00 175.30 174.41 2kn5 s LEU 73 N 0.08 5.29 -0.80 -0.88 1.43 -1.26 -4.84 118.68 117.71 2kn5 s LEU 73 Ca 0.55 -1.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.28 2kn5 s LEU 73 Cb -0.32 -2.33 -0.16 0.00 0.03 0.00 0.00 46.19 43.41 2kn5 s LEU 73 CO 0.35 -0.81 1.90 -1.14 0.23 0.00 0.00 176.35 176.88 2kn5 n ARG 74 N 5.78 1.41 0.00 1.70 0.63 -1.26 -4.61 116.66 120.31 2kn5 n ARG 74 Ca -0.09 -1.90 0.00 0.00 -0.92 0.00 0.00 57.85 54.93 2kn5 n ARG 74 Cb 0.44 -3.05 0.00 0.00 0.45 0.00 0.00 32.46 30.31 2kn5 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kn5 n GLY 75 N 4.81 3.79 0.00 5.14 0.00 -1.26 -5.27 105.19 112.39 2kn5 n GLY 75 Ca 0.49 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2kn5 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93