#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kn9 s ALA 2 N 0.00 -1.89 0.03 3.17 0.00 -1.26 -5.18 121.76 116.64 2kn9 s ALA 2 Ca 0.00 1.80 -0.02 0.00 0.00 0.00 0.00 51.96 53.74 2kn9 s ALA 2 Cb 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 2kn9 s ALA 2 CO 0.00 -0.29 0.01 -3.38 0.00 0.00 0.00 175.76 172.10 2kn9 s HIS 3 N -0.15 0.32 0.06 0.00 0.00 -1.26 -5.17 115.29 109.10 2kn9 s HIS 3 Ca -0.00 -0.69 0.05 0.00 -3.00 0.00 0.00 55.06 51.41 2kn9 s HIS 3 Cb -0.04 -0.24 -0.03 0.00 -4.00 0.00 0.00 32.58 28.28 2kn9 s HIS 3 CO -0.01 -0.30 -0.13 -3.38 -1.00 0.00 0.00 174.74 169.92 2kn9 s HIS 4 N -2.57 1.12 0.05 0.38 -0.00 -1.26 -5.16 115.29 107.85 2kn9 s HIS 4 Ca -0.05 -0.42 0.06 0.00 -0.00 0.00 0.00 55.06 54.64 2kn9 s HIS 4 Cb -0.02 -0.64 -0.02 0.00 -0.00 0.00 0.00 32.58 31.89 2kn9 s HIS 4 CO -0.05 0.03 -0.17 -3.38 -0.00 0.00 0.00 174.74 171.17 2kn9 s HIS 5 N -1.13 1.45 -0.27 0.38 0.00 -1.26 -5.11 115.29 109.34 2kn9 s HIS 5 Ca -0.02 -0.37 -0.01 0.00 -3.00 0.00 0.00 55.06 51.65 2kn9 s HIS 5 Cb -0.09 -0.85 0.09 0.00 -4.00 0.00 0.00 32.58 27.73 2kn9 s HIS 5 CO 0.02 0.07 0.07 -1.58 -1.00 0.00 0.00 174.74 172.32 2kn9 s HIS 6 N -0.90 1.49 0.32 0.38 5.04 -1.26 -5.12 115.29 115.25 2kn9 s HIS 6 Ca 0.03 -1.44 -0.29 0.00 -1.54 0.00 0.00 55.06 51.82 2kn9 s HIS 6 Cb -0.08 -1.47 -0.11 0.00 0.04 0.00 0.00 32.58 30.96 2kn9 s HIS 6 CO 0.02 -0.79 1.53 -3.38 -2.34 0.00 0.00 174.74 169.78 2kn9 s HIS 7 N 1.70 2.71 -0.66 3.88 -3.43 -1.26 -4.93 115.29 113.30 2kn9 s HIS 7 Ca 0.06 0.97 -0.18 0.00 -0.80 0.00 0.00 55.06 55.11 2kn9 s HIS 7 Cb -0.17 -4.03 0.13 0.00 -1.43 0.00 0.00 32.58 27.08 2kn9 s HIS 7 CO -0.20 -3.25 0.72 -1.01 -2.00 0.00 0.00 174.74 169.00 2kn9 s HIS 8 N -0.48 3.18 0.23 0.38 0.09 -1.26 -4.86 115.29 112.56 2kn9 s HIS 8 Ca 0.58 -1.23 -0.04 0.00 -0.00 0.00 0.00 55.06 54.37 2kn9 s HIS 8 Cb -0.47 -3.98 0.23 0.00 -0.00 0.00 0.00 32.58 28.37 2kn9 s HIS 8 CO 0.54 -1.22 1.68 0.52 -0.00 0.00 0.00 174.74 176.26 2kn9 h MET 9 N 8.87 0.81 0.00 1.40 2.07 -2.08 -3.48 114.93 122.53 2kn9 h MET 9 Ca -0.18 -0.28 0.00 0.00 -2.07 0.00 0.00 59.70 57.17 2kn9 h MET 9 Cb 1.08 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.74 2kn9 h MET 9 CO 1.04 0.89 0.00 0.41 1.07 0.00 0.00 176.91 180.32 2kn9 n GLY 10 N -0.40 1.71 3.15 8.32 0.00 -1.26 -4.82 105.19 111.89 2kn9 n GLY 10 Ca 0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 2kn9 n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kn9 s THR 11 N 0.00 0.18 0.73 2.61 -1.32 -1.26 -5.15 115.64 111.43 2kn9 s THR 11 Ca 0.00 -1.46 -0.15 0.00 -1.21 0.00 0.00 61.69 58.87 2kn9 s THR 11 Cb 0.00 -1.42 0.04 0.00 -1.51 0.00 0.00 72.50 69.61 2kn9 s THR 11 CO 0.00 -0.81 1.19 -0.76 -2.21 0.00 0.00 174.62 172.03 2kn9 s LEU 12 N -2.88 3.29 -0.50 9.08 1.43 -1.26 -4.86 118.68 122.99 2kn9 s LEU 12 Ca 0.06 2.29 -0.27 0.00 -1.03 0.00 0.00 54.13 55.18 2kn9 s LEU 12 Cb 0.06 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 2kn9 s LEU 12 CO -0.11 -2.23 2.16 -1.61 0.23 0.00 0.00 176.35 174.80 2kn9 s GLU 13 N -4.00 2.45 0.32 1.70 8.01 -1.26 -4.80 118.70 121.12 2kn9 s GLU 13 Ca 0.73 1.19 0.16 0.00 0.01 0.00 0.00 54.97 57.06 2kn9 s GLU 13 Cb -0.27 -4.47 0.41 0.00 -4.31 0.00 0.00 34.13 25.49 2kn9 s GLU 13 CO 0.46 -2.89 1.61 0.00 0.01 0.00 0.00 175.26 174.44 2kn9 h ALA 14 N 17.16 0.85 -0.31 5.21 0.00 -2.06 -3.20 119.26 136.91 2kn9 h ALA 14 Ca -0.27 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 2kn9 h ALA 14 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2kn9 h ALA 14 CO 1.15 0.61 0.13 1.96 0.00 0.00 0.00 179.25 183.10 2kn9 h GLN 15 N 0.00 0.46 -6.62 0.00 7.50 -2.02 -3.47 115.11 110.97 2kn9 h GLN 15 Ca -0.00 -0.08 -0.52 0.00 0.50 0.00 0.00 58.65 58.54 2kn9 h GLN 15 Cb 1.12 -0.08 -0.07 0.00 0.05 0.00 0.00 27.48 28.50 2kn9 h GLN 15 CO 0.06 0.47 -0.92 0.25 -1.50 0.00 0.00 178.83 177.20 2kn9 n THR 16 N -4.73 -2.89 -2.88 -0.54 -2.24 -1.21 -4.92 114.28 94.87 2kn9 n THR 16 Ca -0.02 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.80 2kn9 n THR 16 Cb 0.13 -2.45 -0.04 0.00 -2.10 0.00 0.00 70.33 65.87 2kn9 n THR 16 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2kn9 s GLN 17 N -6.73 4.53 0.20 -0.78 -0.21 -1.26 -5.01 119.66 110.39 2kn9 s GLN 17 Ca 0.08 1.18 -0.31 0.00 0.02 0.00 0.00 55.36 56.33 2kn9 s GLN 17 Cb -0.03 -3.42 -0.10 0.00 1.00 0.00 0.00 33.01 30.46 2kn9 s GLN 17 CO 0.91 0.10 1.47 0.20 -2.12 0.00 0.00 175.29 175.85 2kn9 s GLY 18 N 0.56 2.04 -0.42 3.09 0.00 -1.26 -4.90 107.32 106.42 2kn9 s GLY 18 Ca 0.44 1.30 -0.27 0.00 0.00 0.00 0.00 44.72 46.19 2kn9 s GLY 18 CO 0.24 2.39 2.05 2.56 0.00 0.00 0.00 173.10 180.34 2kn9 s PRO 19 N 0.33 2.79 -0.41 2.90 0.04 -1.26 -4.78 135.00 134.61 2kn9 s PRO 19 Ca 0.63 1.33 0.05 0.00 0.04 0.00 0.00 61.00 63.05 2kn9 s PRO 19 Cb -0.41 -4.38 0.32 0.00 0.04 0.00 0.00 34.50 30.06 2kn9 s PRO 19 CO 0.37 -2.50 1.20 0.41 0.04 0.00 0.00 177.00 176.52 2kn9 n GLY 20 N 5.71 -0.19 0.19 0.56 0.00 -1.26 -4.70 105.19 105.49 2kn9 n GLY 20 Ca 0.27 0.33 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 2kn9 n GLY 20 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kn9 h SER 21 N 2.81 -0.35 -0.01 1.61 0.02 -1.90 -3.01 113.55 112.72 2kn9 h SER 21 Ca -0.18 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2kn9 h SER 21 Cb 1.14 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2kn9 h SER 21 CO 0.09 -0.23 -0.47 1.15 -1.14 0.00 0.00 176.83 176.22 2kn9 n MET 22 N -5.26 1.33 0.00 3.45 0.00 -1.26 -4.99 117.12 110.38 2kn9 n MET 22 Ca -0.09 -0.83 0.00 0.00 0.00 0.00 0.00 57.70 56.78 2kn9 n MET 22 Cb 0.18 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.00 2kn9 n MET 22 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2kn9 n ASN 23 N -0.20 0.00 -4.23 3.17 5.15 -1.14 -4.81 115.26 113.19 2kn9 n ASN 23 Ca 0.08 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.66 2kn9 n ASN 23 Cb 0.41 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 2kn9 n ASN 23 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2kn9 n ASP 24 N 1.83 4.00 -4.21 1.20 2.03 -1.26 -4.87 116.55 115.28 2kn9 n ASP 24 Ca 0.00 -2.83 -0.21 0.00 0.52 0.00 0.00 54.79 52.27 2kn9 n ASP 24 Cb 0.00 -1.64 -0.12 0.00 -0.72 0.00 0.00 41.12 38.63 2kn9 n ASP 24 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2kn9 s TYR 25 N 5.34 1.44 0.45 -0.67 2.02 -1.26 -5.05 117.35 119.62 2kn9 s TYR 25 Ca 0.55 -0.42 -0.14 0.00 -0.37 0.00 0.00 57.07 56.69 2kn9 s TYR 25 Cb 0.07 -0.81 -0.08 0.00 -0.40 0.00 0.00 41.96 40.74 2kn9 s TYR 25 CO 0.05 0.10 0.87 0.15 -1.57 0.00 0.00 175.55 175.16 2kn9 s LYS 26 N -1.65 3.91 -0.04 -0.62 1.02 -1.26 -4.58 119.74 116.52 2kn9 s LYS 26 Ca 0.02 0.75 0.04 0.00 0.02 0.00 0.00 55.97 56.81 2kn9 s LYS 26 Cb -0.10 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2kn9 s LYS 26 CO 0.03 -0.12 -0.17 -0.48 -0.92 0.00 0.00 175.35 173.69 2kn9 s LEU 27 N -3.80 1.93 -0.18 3.17 2.34 -0.46 -1.22 118.68 120.46 2kn9 s LEU 27 Ca 0.56 -0.35 -0.01 0.00 0.06 0.00 0.00 54.13 54.39 2kn9 s LEU 27 Cb -0.10 -0.97 0.00 0.00 -0.56 0.00 0.00 46.19 44.57 2kn9 s LEU 27 CO 0.28 0.16 -0.14 -0.36 -1.06 0.00 0.00 176.35 175.24 2kn9 s PHE 28 N -0.02 2.83 -0.19 3.48 0.40 0.66 0.27 117.98 125.40 2kn9 s PHE 28 Ca -0.02 -1.17 -0.06 0.00 -0.60 0.00 0.00 56.93 55.08 2kn9 s PHE 28 Cb -0.11 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 2kn9 s PHE 28 CO 0.02 -0.58 0.02 0.50 0.70 0.00 0.00 175.22 175.88 2kn9 s ARG 29 N 1.10 3.74 0.11 0.44 3.52 -0.29 0.38 118.95 127.95 2kn9 s ARG 29 Ca 0.00 -0.46 -0.31 0.00 -0.13 0.00 0.00 55.73 54.83 2kn9 s ARG 29 Cb -0.14 -3.11 -0.07 0.00 -1.56 0.00 0.00 34.95 30.06 2kn9 s ARG 29 CO -0.04 0.12 1.32 0.00 -0.81 0.00 0.00 175.30 175.88 2kn9 h ILE 31 N 4.27 0.00 -0.05 0.00 3.07 -0.79 0.24 117.51 124.24 2kn9 h ILE 31 Ca -0.42 -0.63 -0.25 0.00 1.55 0.00 0.00 64.86 65.11 2kn9 h ILE 31 Cb 1.21 1.24 0.02 0.00 -0.27 0.00 0.00 36.82 39.02 2kn9 h ILE 31 CO 0.84 0.00 -0.93 1.56 -1.05 0.00 0.00 178.15 178.56 2kn9 h GLN 32 N 0.00 0.72 0.00 0.16 1.08 -1.92 -3.41 115.11 111.74 2kn9 h GLN 32 Ca 0.00 -0.71 0.00 0.00 -1.45 0.00 0.00 58.65 56.49 2kn9 h GLN 32 Cb 0.82 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2kn9 h GLN 32 CO 0.00 1.29 -0.58 0.00 -0.95 0.00 0.00 178.83 178.60 2kn9 n GLY 34 N 1.77 0.78 3.61 0.00 0.00 0.07 -5.05 105.19 106.37 2kn9 n GLY 34 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2kn9 n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kn9 n PHE 35 N -1.15 2.10 -3.57 1.61 7.35 -1.25 -4.57 117.46 117.99 2kn9 n PHE 35 Ca 0.00 -0.15 -0.36 0.00 -0.76 0.00 0.00 57.45 56.18 2kn9 n PHE 35 Cb 0.00 -2.73 -0.08 0.00 0.35 0.00 0.00 39.48 37.03 2kn9 n PHE 35 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2kn9 s GLU 36 N 5.70 4.21 -0.39 -4.13 2.02 -1.26 0.30 118.70 125.14 2kn9 s GLU 36 Ca 0.98 -0.00 -0.08 0.00 0.02 0.00 0.00 54.97 55.89 2kn9 s GLU 36 Cb -0.43 -3.46 0.07 0.00 0.10 0.00 0.00 34.13 30.41 2kn9 s GLU 36 CO 0.39 0.18 0.21 -0.47 0.02 0.00 0.00 175.26 175.59 2kn9 s TYR 37 N 0.67 3.34 -0.08 1.61 5.04 0.16 -4.95 117.35 123.14 2kn9 s TYR 37 Ca 0.14 -1.61 -0.25 0.00 -2.44 0.00 0.00 57.07 52.91 2kn9 s TYR 37 Cb -0.13 -2.80 -0.03 0.00 0.35 0.00 0.00 41.96 39.35 2kn9 s TYR 37 CO 0.03 -0.83 0.78 -0.51 -1.34 0.00 0.00 175.55 173.68 2kn9 s ASP 38 N 1.89 7.05 0.54 4.32 1.01 -1.26 -0.25 116.67 129.96 2kn9 s ASP 38 Ca 0.02 1.27 0.24 0.00 0.71 0.00 0.00 52.55 54.79 2kn9 s ASP 38 Cb -0.22 -2.45 1.49 0.00 1.01 0.00 0.00 42.92 42.75 2kn9 s ASP 38 CO 0.01 -0.21 2.15 -0.33 0.21 0.00 0.00 175.17 177.00 2kn9 h GLU 39 N 6.91 0.00 0.00 8.23 5.08 -1.45 0.18 114.58 133.53 2kn9 h GLU 39 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2kn9 h GLU 39 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kn9 h GLU 39 CO 0.77 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.84 2kn9 n ALA 40 N -2.39 2.22 -0.13 3.43 0.00 -1.26 0.12 120.51 122.49 2kn9 n ALA 40 Ca -0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 2kn9 n ALA 40 Cb 0.14 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.03 2kn9 n ALA 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2kn9 n LEU 41 N -2.18 2.02 0.00 0.00 7.94 -0.06 -4.41 117.00 120.31 2kn9 n LEU 41 Ca 0.05 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.27 2kn9 n LEU 41 Cb 0.40 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.50 2kn9 n LEU 41 CO 0.29 0.56 0.00 0.61 -1.11 0.00 0.00 177.39 177.74 2kn9 n GLY 42 N 1.35 -1.65 2.86 -3.96 0.00 0.43 -4.08 105.19 100.14 2kn9 n GLY 42 Ca -0.51 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 2kn9 n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kn9 s TRP 43 N 0.00 -0.76 0.37 1.61 -0.11 0.27 -4.79 118.94 115.53 2kn9 s TRP 43 Ca 0.00 -0.61 0.24 0.00 1.22 0.00 0.00 56.10 56.95 2kn9 s TRP 43 Cb 0.00 -0.15 1.25 0.00 -1.50 0.00 0.00 33.47 33.07 2kn9 s TRP 43 CO 0.00 -1.06 2.00 -1.35 -4.62 0.00 0.00 176.95 171.92 2kn9 h PRO 44 N 6.67 0.00 0.00 5.86 0.11 -1.85 0.13 132.00 142.92 2kn9 h PRO 44 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2kn9 h PRO 44 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2kn9 h PRO 44 CO 0.16 0.17 0.00 0.93 -0.21 0.00 0.00 178.00 179.05 2kn9 h GLU 45 N 0.00 0.00 0.00 1.05 5.08 -1.95 -2.16 114.58 116.59 2kn9 h GLU 45 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2kn9 h GLU 45 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2kn9 h GLU 45 CO 0.02 0.00 -1.57 -3.47 -1.00 0.00 0.00 179.01 172.99 2kn9 n ASP 46 N -2.38 2.38 0.00 1.42 2.03 -0.92 -5.00 116.55 114.08 2kn9 n ASP 46 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kn9 n ASP 46 Cb 0.21 1.35 0.00 0.00 -0.72 0.00 0.00 41.12 41.96 2kn9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kn9 n GLY 47 N 1.96 1.70 3.51 0.27 0.00 -0.81 -5.10 105.19 106.73 2kn9 n GLY 47 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2kn9 n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kn9 s ILE 48 N -2.00 5.25 0.44 -0.61 -1.09 0.40 -4.95 121.20 118.65 2kn9 s ILE 48 Ca 0.00 -0.30 -0.21 0.00 -2.23 0.00 0.00 60.65 57.92 2kn9 s ILE 48 Cb 0.00 -3.80 -0.10 0.00 -1.58 0.00 0.00 42.46 36.97 2kn9 s ILE 48 CO 0.00 -0.12 0.96 0.00 -1.23 0.00 0.00 174.94 174.55 2kn9 s ALA 49 N 1.77 3.02 0.06 9.38 0.00 -1.26 -0.56 121.76 134.17 2kn9 s ALA 49 Ca 0.07 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 2kn9 s ALA 49 Cb -0.18 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2kn9 s ALA 49 CO 0.11 0.05 1.87 0.00 0.00 0.00 0.00 175.76 177.79 2kn9 s ALA 50 N -2.19 3.66 0.00 0.00 0.00 -1.26 -1.20 121.76 120.76 2kn9 s ALA 50 Ca 0.62 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2kn9 s ALA 50 Cb -0.10 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2kn9 s ALA 50 CO 0.15 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2kn9 n GLY 51 N 4.36 0.63 3.68 0.00 0.00 0.12 -4.97 105.19 109.01 2kn9 n GLY 51 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2kn9 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kn9 s THR 52 N -2.00 3.57 0.40 2.61 2.01 -0.34 -4.96 115.64 116.93 2kn9 s THR 52 Ca 0.00 0.86 -0.23 0.00 0.31 0.00 0.00 61.69 62.63 2kn9 s THR 52 Cb 0.00 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 2kn9 s THR 52 CO 0.00 -0.04 0.98 -0.13 -0.69 0.00 0.00 174.62 174.74 2kn9 s ARG 53 N 3.16 4.28 0.57 4.92 1.81 -1.26 -4.72 118.95 127.71 2kn9 s ARG 53 Ca 0.69 1.29 0.26 0.00 -1.72 0.00 0.00 55.73 56.25 2kn9 s ARG 53 Cb -0.33 -2.44 1.55 0.00 -0.45 0.00 0.00 34.95 33.28 2kn9 s ARG 53 CO 0.28 0.00 2.09 2.35 -0.68 0.00 0.00 175.30 179.34 2kn9 h TRP 54 N 2.39 0.00 0.00 -0.53 2.91 -1.94 -0.17 115.95 118.61 2kn9 h TRP 54 Ca -0.48 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.41 2kn9 h TRP 54 Cb 1.20 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.83 2kn9 h TRP 54 CO 0.60 0.00 -0.60 -0.44 -1.03 0.00 0.00 178.44 176.98 2kn9 h ASP 55 N 0.00 0.00 1.68 2.65 3.32 -2.01 -2.92 116.42 119.14 2kn9 h ASP 55 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2kn9 h ASP 55 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2kn9 h ASP 55 CO -0.00 0.60 -0.32 0.44 -1.72 0.00 0.00 179.24 178.24 2kn9 h ASP 56 N 0.00 0.00 -2.99 6.45 3.32 -1.42 -3.44 116.42 118.35 2kn9 h ASP 56 Ca -0.01 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.48 2kn9 h ASP 56 Cb 1.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 2kn9 h ASP 56 CO 0.08 0.03 0.81 -0.63 -1.72 0.00 0.00 179.24 177.81 2kn9 s ILE 57 N -3.24 4.26 0.47 0.35 1.01 -1.02 -4.99 121.20 118.04 2kn9 s ILE 57 Ca 0.05 1.55 -0.23 0.00 0.00 0.00 0.00 60.65 62.01 2kn9 s ILE 57 Cb 0.06 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 2kn9 s ILE 57 CO 0.71 -0.07 1.16 -0.81 0.00 0.00 0.00 174.94 175.92 2kn9 n PRO 58 N 5.96 1.54 0.00 2.79 -0.04 -1.26 -4.87 135.00 139.12 2kn9 n PRO 58 Ca 0.13 0.56 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 2kn9 n PRO 58 Cb 0.45 -2.28 0.41 0.00 -0.04 0.00 0.00 33.50 32.05 2kn9 n PRO 58 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kn9 n ASP 59 N -0.07 0.00 0.02 3.54 5.75 -1.26 -1.11 116.55 123.42 2kn9 n ASP 59 Ca 0.09 0.27 0.12 0.00 -0.01 0.00 0.00 54.79 55.26 2kn9 n ASP 59 Cb 0.42 -0.39 0.52 0.00 -1.03 0.00 0.00 41.12 40.63 2kn9 n ASP 59 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2kn9 n ASP 60 N -1.39 0.16 -4.62 -1.12 9.92 -1.26 -4.71 116.55 113.53 2kn9 n ASP 60 Ca 0.06 0.52 -0.43 0.00 -0.53 0.00 0.00 54.79 54.41 2kn9 n ASP 60 Cb 0.17 -0.56 -0.02 0.00 -0.64 0.00 0.00 41.12 40.07 2kn9 n ASP 60 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2kn9 s TRP 61 N -3.03 2.54 0.30 1.24 -0.00 -0.27 -5.01 118.94 114.71 2kn9 s TRP 61 Ca 0.12 0.77 0.01 0.00 -0.00 0.00 0.00 56.10 57.00 2kn9 s TRP 61 Cb 0.16 -4.07 -0.03 0.00 -0.00 0.00 0.00 33.47 29.52 2kn9 s TRP 61 CO 0.48 -1.89 0.48 -1.54 -0.00 0.00 0.00 176.95 174.48 2kn9 s SER 62 N 3.33 6.32 -0.08 5.86 1.04 -1.26 -4.29 113.70 124.61 2kn9 s SER 62 Ca 0.59 0.35 -0.31 0.00 0.48 0.00 0.00 55.95 57.06 2kn9 s SER 62 Cb -0.16 -1.99 -0.09 0.00 0.10 0.00 0.00 66.02 63.88 2kn9 s SER 62 CO 0.27 -0.20 2.02 0.00 0.98 0.00 0.00 173.24 176.31 2kn9 h PRO 64 N 11.32 0.00 0.16 0.00 0.11 -1.96 0.62 132.00 142.25 2kn9 h PRO 64 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2kn9 h PRO 64 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2kn9 h PRO 64 CO 0.95 0.00 -0.08 0.22 -0.21 0.00 0.00 178.00 178.89 2kn9 h ASP 65 N 0.00 -0.18 -0.01 -2.05 3.58 -1.97 -3.41 116.42 112.38 2kn9 h ASP 65 Ca 0.04 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2kn9 h ASP 65 Cb 0.58 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2kn9 h ASP 65 CO -0.00 0.01 -0.03 0.00 -2.88 0.00 0.00 179.24 176.34 2kn9 n GLY 67 N 0.38 0.59 3.79 0.00 0.00 0.22 -4.98 105.19 105.18 2kn9 n GLY 67 Ca 0.03 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 2kn9 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kn9 s ALA 68 N -2.18 2.78 0.82 4.61 0.00 -1.25 -4.56 121.76 121.99 2kn9 s ALA 68 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 2kn9 s ALA 68 Cb 0.00 -3.29 0.15 0.00 0.00 0.00 0.00 23.12 19.98 2kn9 s ALA 68 CO 0.00 -0.55 1.14 0.00 0.00 0.00 0.00 175.76 176.34 2kn9 s ALA 69 N -1.98 3.00 0.46 0.00 0.00 -1.26 0.69 121.76 122.67 2kn9 s ALA 69 Ca 0.69 -1.40 0.14 0.00 0.00 0.00 0.00 51.96 51.38 2kn9 s ALA 69 Cb -0.19 -2.41 1.07 0.00 0.00 0.00 0.00 23.12 21.59 2kn9 s ALA 69 CO 0.25 -1.87 2.05 0.87 0.00 0.00 0.00 175.76 177.06 2kn9 h LYS 70 N -1.02 0.30 0.00 0.00 1.57 -1.84 0.17 116.57 115.75 2kn9 h LYS 70 Ca -0.41 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2kn9 h LYS 70 Cb 1.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2kn9 h LYS 70 CO 0.42 0.20 0.00 0.77 -0.57 0.00 0.00 179.45 180.27 2kn9 h SER 71 N 0.31 0.00 -0.51 0.86 0.02 -1.96 -0.55 113.55 111.73 2kn9 h SER 71 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2kn9 h SER 71 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2kn9 h SER 71 CO -0.04 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.12 2kn9 n ASP 72 N -2.75 2.79 -4.64 3.07 8.00 0.05 -4.85 116.55 118.22 2kn9 n ASP 72 Ca -0.01 -2.03 -0.30 0.00 0.71 0.00 0.00 54.79 53.16 2kn9 n ASP 72 Cb 0.16 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.82 2kn9 n ASP 72 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kn9 s PHE 73 N -1.35 2.90 -0.00 1.24 0.40 -0.21 -0.05 117.98 120.90 2kn9 s PHE 73 Ca 0.34 -0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.65 2kn9 s PHE 73 Cb 0.18 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 2kn9 s PHE 73 CO 0.23 0.45 -0.11 -1.83 0.70 0.00 0.00 175.22 174.66 2kn9 s GLU 74 N -2.15 2.45 -0.45 0.44 -1.05 0.10 -4.90 118.70 113.15 2kn9 s GLU 74 Ca 0.23 -0.76 -0.25 0.00 -0.15 0.00 0.00 54.97 54.04 2kn9 s GLU 74 Cb -0.11 -2.42 0.03 0.00 -0.44 0.00 0.00 34.13 31.18 2kn9 s GLU 74 CO 0.15 0.60 0.92 1.41 0.95 0.00 0.00 175.26 179.29 2kn9 s MET 75 N -1.26 3.58 -0.26 -4.83 -2.45 -1.26 -1.13 119.30 111.69 2kn9 s MET 75 Ca 0.15 0.22 -0.09 0.00 -1.25 0.00 0.00 55.69 54.72 2kn9 s MET 75 Cb -0.11 -3.91 -0.04 0.00 1.25 0.00 0.00 34.83 32.02 2kn9 s MET 75 CO 0.05 -1.18 0.14 0.08 1.05 0.00 0.00 175.02 175.16 2kn9 s VAL 76 N 3.70 4.96 0.83 10.11 1.01 0.14 -5.01 120.40 136.15 2kn9 s VAL 76 Ca 0.37 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 2kn9 s VAL 76 Cb -0.10 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 33.05 2kn9 s VAL 76 CO 0.25 0.31 1.19 -1.83 0.00 0.00 0.00 175.10 175.03 2kn9 s GLU 77 N 1.48 1.66 -0.74 2.72 4.04 -1.26 -1.36 118.70 125.25 2kn9 s GLU 77 Ca 0.06 -0.07 -0.26 0.00 0.04 0.00 0.00 54.97 54.74 2kn9 s GLU 77 Cb -0.15 -1.95 0.02 0.00 0.02 0.00 0.00 34.13 32.06 2kn9 s GLU 77 CO 0.07 -1.76 1.47 0.08 -1.84 0.00 0.00 175.26 173.28 2kn9 s VAL 78 N -3.61 3.63 -0.47 1.83 1.01 -1.26 -4.77 120.40 116.75 2kn9 s VAL 78 Ca 0.65 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.93 2kn9 s VAL 78 Cb -0.09 -4.65 0.49 0.00 0.00 0.00 0.00 36.38 32.14 2kn9 s VAL 78 CO 0.49 -1.59 1.35 0.00 0.00 0.00 0.00 175.10 175.35 2kn9 n ALA 79 N 10.37 3.61 -2.99 5.51 0.00 -1.26 -4.80 120.51 130.94 2kn9 n ALA 79 Ca 0.11 -1.33 -0.44 0.00 0.00 0.00 0.00 53.44 51.78 2kn9 n ALA 79 Cb 0.50 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 2kn9 n ALA 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kn9 s ARG 80 N -2.10 3.37 0.00 0.00 1.81 -1.26 -5.28 118.95 115.49 2kn9 s ARG 80 Ca 0.34 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 52.82 2kn9 s ARG 80 Cb 0.27 -4.57 0.00 0.00 -0.45 0.00 0.00 34.95 30.20 2kn9 s ARG 80 CO 0.09 -1.68 0.00 0.43 -0.68 0.00 0.00 175.30 173.46