#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 3.19 -0.57 -5.12 0.00 -1.26 -5.05 121.76 112.94 2kn9 s ALA 2 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 2kn9 s ALA 2 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.20 2kn9 s ALA 2 CO 0.00 -0.20 1.29 -1.01 0.00 0.00 0.00 175.76 175.83 2kn9 s HIS 3 N 1.09 2.46 -0.55 0.00 0.09 -1.26 -4.95 115.29 112.18 2kn9 s HIS 3 Ca 0.04 0.42 -0.27 0.00 -0.00 0.00 0.00 55.06 55.25 2kn9 s HIS 3 Cb -0.14 -4.47 -0.02 0.00 -0.00 0.00 0.00 32.58 27.94 2kn9 s HIS 3 CO 0.03 -1.77 1.88 -1.58 -0.00 0.00 0.00 174.74 173.29 2kn9 s HIS 4 N 5.42 1.67 -0.00 1.40 5.04 -1.26 -4.94 115.29 122.61 2kn9 s HIS 4 Ca 0.47 0.81 0.02 0.00 -1.54 0.00 0.00 55.06 54.81 2kn9 s HIS 4 Cb -0.09 -4.07 -0.00 0.00 0.04 0.00 0.00 32.58 28.46 2kn9 s HIS 4 CO 0.25 -2.44 -0.05 -1.58 -2.34 0.00 0.00 174.74 168.58 2kn9 s HIS 5 N 8.79 0.47 0.11 3.88 2.46 -1.26 -5.14 115.29 124.60 2kn9 s HIS 5 Ca 0.71 -0.09 -0.13 0.00 0.47 0.00 0.00 55.06 56.02 2kn9 s HIS 5 Cb -0.15 -0.30 -0.06 0.00 -0.13 0.00 0.00 32.58 31.93 2kn9 s HIS 5 CO 0.24 -0.01 0.50 -1.01 -2.47 0.00 0.00 174.74 171.99 2kn9 s HIS 6 N -0.13 3.62 -0.08 3.88 4.02 -1.26 -5.09 115.29 120.24 2kn9 s HIS 6 Ca 0.02 0.99 0.00 0.00 1.02 0.00 0.00 55.06 57.09 2kn9 s HIS 6 Cb -0.02 -2.31 -0.03 0.00 -1.02 0.00 0.00 32.58 29.20 2kn9 s HIS 6 CO -0.00 0.48 -0.07 -1.58 1.02 0.00 0.00 174.74 174.58 2kn9 s HIS 7 N -1.40 2.92 -0.03 1.40 5.65 -1.26 -5.10 115.29 117.47 2kn9 s HIS 7 Ca 0.35 -0.09 -0.26 0.00 0.25 0.00 0.00 55.06 55.32 2kn9 s HIS 7 Cb -0.15 -1.75 -0.04 0.00 -1.18 0.00 0.00 32.58 29.46 2kn9 s HIS 7 CO 0.18 0.23 0.79 -3.38 -0.65 0.00 0.00 174.74 171.91 2kn9 s HIS 8 N -0.55 3.62 -0.14 3.88 -0.00 -1.26 -4.94 115.29 115.90 2kn9 s HIS 8 Ca 0.08 1.41 0.18 0.00 -0.00 0.00 0.00 55.06 56.73 2kn9 s HIS 8 Cb -0.12 -2.90 -0.26 0.00 -0.00 0.00 0.00 32.58 29.31 2kn9 s HIS 8 CO 0.02 0.08 0.17 0.00 -0.00 0.00 0.00 174.74 175.01 2kn9 n MET 9 N 3.69 0.83 0.00 -0.38 0.00 -1.26 -5.11 117.12 114.90 2kn9 n MET 9 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.65 2kn9 n MET 9 Cb 0.51 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.25 2kn9 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kn9 n GLY 10 N 1.70 -2.49 3.00 3.17 0.00 -1.26 -4.95 105.19 104.35 2kn9 n GLY 10 Ca -0.23 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 2kn9 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kn9 s THR 11 N -0.89 -0.75 0.26 2.61 2.01 -1.26 -5.15 115.64 112.47 2kn9 s THR 11 Ca 0.00 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.70 2kn9 s THR 11 Cb 0.00 -0.90 -0.09 0.00 0.01 0.00 0.00 72.50 71.52 2kn9 s THR 11 CO 0.00 -0.09 0.83 -0.76 -0.69 0.00 0.00 174.62 173.91 2kn9 s LEU 12 N 2.66 4.37 -0.02 4.42 1.43 -1.26 -4.96 118.68 125.32 2kn9 s LEU 12 Ca 0.15 1.64 0.12 0.00 -1.03 0.00 0.00 54.13 55.01 2kn9 s LEU 12 Cb -0.15 -3.76 0.21 0.00 0.03 0.00 0.00 46.19 42.53 2kn9 s LEU 12 CO -0.20 0.01 1.09 -1.84 0.23 0.00 0.00 176.35 175.64 2kn9 n GLU 13 N 0.74 0.19 0.00 1.70 0.28 -1.26 -4.87 120.64 117.43 2kn9 n GLU 13 Ca -0.01 -1.64 0.13 0.00 -0.16 0.00 0.00 57.16 55.48 2kn9 n GLU 13 Cb 0.50 -0.45 0.37 0.00 1.43 0.00 0.00 31.44 33.29 2kn9 n GLU 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kn9 n ALA 14 N 0.02 3.17 0.31 -1.84 0.00 -1.26 -4.13 120.51 116.77 2kn9 n ALA 14 Ca 0.05 -0.36 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 2kn9 n ALA 14 Cb 0.87 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 2kn9 n ALA 14 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kn9 h GLN 15 N 0.68 -0.79 -6.16 0.00 7.50 -2.03 -3.47 115.11 110.83 2kn9 h GLN 15 Ca 0.00 0.05 -0.42 0.00 0.50 0.00 0.00 58.65 58.79 2kn9 h GLN 15 Cb 0.49 0.18 0.09 0.00 0.05 0.00 0.00 27.48 28.29 2kn9 h GLN 15 CO 0.00 -0.49 -0.92 2.41 -1.50 0.00 0.00 178.83 178.33 2kn9 n THR 16 N -5.34 -5.97 -2.72 -0.54 -1.04 -1.26 -4.89 114.28 92.51 2kn9 n THR 16 Ca -0.11 -0.96 -0.42 0.00 -2.04 0.00 0.00 64.05 60.52 2kn9 n THR 16 Cb 0.35 -4.44 -0.03 0.00 -1.82 0.00 0.00 70.33 64.38 2kn9 n THR 16 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2kn9 s GLN 17 N -5.85 4.60 1.02 -2.82 0.74 -1.26 -5.05 119.66 111.04 2kn9 s GLN 17 Ca 0.43 1.42 -0.17 0.00 0.05 0.00 0.00 55.36 57.08 2kn9 s GLN 17 Cb -0.14 -3.43 0.23 0.00 1.10 0.00 0.00 33.01 30.77 2kn9 s GLN 17 CO 0.85 0.04 1.33 0.20 -0.55 0.00 0.00 175.29 177.16 2kn9 s GLY 18 N 0.69 1.80 0.03 2.59 0.00 -1.26 -5.01 107.32 106.16 2kn9 s GLY 18 Ca 0.50 -1.30 -0.26 0.00 0.00 0.00 0.00 44.72 43.65 2kn9 s GLY 18 CO 0.28 -0.46 1.37 -0.56 0.00 0.00 0.00 173.10 173.74 2kn9 h PRO 19 N -1.87 -0.43 0.00 2.90 0.13 -2.03 -3.50 132.00 127.20 2kn9 h PRO 19 Ca -0.44 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kn9 h PRO 19 Cb 1.22 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kn9 h PRO 19 CO 0.31 -0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.34 2kn9 n GLY 20 N -0.62 2.58 3.12 1.56 0.00 -1.26 -5.11 105.19 105.45 2kn9 n GLY 20 Ca -0.10 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 2kn9 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kn9 s SER 21 N 0.00 -0.27 0.13 1.61 0.15 -1.26 -5.02 113.70 109.04 2kn9 s SER 21 Ca 0.00 0.53 0.12 0.00 0.70 0.00 0.00 55.95 57.30 2kn9 s SER 21 Cb 0.00 0.50 -0.12 0.00 -1.71 0.00 0.00 66.02 64.70 2kn9 s SER 21 CO 0.00 -0.11 1.16 0.00 1.20 0.00 0.00 173.24 175.49 2kn9 h MET 22 N 6.12 0.00 -6.71 5.44 -0.00 -2.01 -3.46 114.93 114.32 2kn9 h MET 22 Ca -0.30 0.00 -0.50 0.00 -0.00 0.00 0.00 59.70 58.90 2kn9 h MET 22 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.77 2kn9 h MET 22 CO 0.35 0.65 0.06 -0.80 -0.00 0.00 0.00 176.91 177.16 2kn9 s ASN 23 N -6.38 6.64 -1.28 -0.10 -0.87 -1.26 -4.97 114.94 106.72 2kn9 s ASN 23 Ca 0.00 1.14 -0.19 0.00 -1.57 0.00 0.00 52.86 52.24 2kn9 s ASN 23 Cb 0.09 -2.32 0.03 0.00 -0.02 0.00 0.00 41.25 39.03 2kn9 s ASN 23 CO 0.80 -0.25 1.80 0.47 -2.57 0.00 0.00 177.10 177.34 2kn9 n ASP 24 N -0.70 4.49 -4.99 -1.22 8.00 -1.26 -4.92 116.55 115.94 2kn9 n ASP 24 Ca 0.02 -2.87 -0.18 0.00 0.71 0.00 0.00 54.79 52.47 2kn9 n ASP 24 Cb 0.53 -1.74 -0.00 0.00 -0.02 0.00 0.00 41.12 39.90 2kn9 n ASP 24 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2kn9 s TYR 25 N 5.56 3.03 0.20 1.24 2.02 -1.26 -5.10 117.35 123.03 2kn9 s TYR 25 Ca 0.57 -0.27 0.10 0.00 -0.37 0.00 0.00 57.07 57.09 2kn9 s TYR 25 Cb 0.04 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 2kn9 s TYR 25 CO 0.08 -0.11 -0.14 0.15 -1.57 0.00 0.00 175.55 173.95 2kn9 s LYS 26 N -4.22 1.87 -0.41 -0.62 1.02 -1.26 -4.75 119.74 111.38 2kn9 s LYS 26 Ca 0.48 -1.40 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 2kn9 s LYS 26 Cb -0.09 -2.03 0.06 0.00 -0.52 0.00 0.00 37.83 35.25 2kn9 s LYS 26 CO 0.31 0.41 0.26 -1.17 -0.92 0.00 0.00 175.35 174.24 2kn9 s LEU 27 N -2.88 5.06 -0.34 3.17 2.96 -0.38 -1.49 118.68 124.78 2kn9 s LEU 27 Ca 0.24 -1.31 -0.17 0.00 -0.22 0.00 0.00 54.13 52.67 2kn9 s LEU 27 Cb -0.08 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 2kn9 s LEU 27 CO 0.14 -0.50 0.48 -0.36 -1.32 0.00 0.00 176.35 174.78 2kn9 s PHE 28 N 1.50 3.19 -0.19 5.38 0.40 0.76 0.27 117.98 129.28 2kn9 s PHE 28 Ca 0.03 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 2kn9 s PHE 28 Cb -0.22 -2.86 -0.02 0.00 0.51 0.00 0.00 43.02 40.43 2kn9 s PHE 28 CO 0.04 -0.51 -0.03 0.50 0.70 0.00 0.00 175.22 175.93 2kn9 s ARG 29 N 2.30 3.55 0.01 0.44 3.52 -0.11 -0.05 118.95 128.61 2kn9 s ARG 29 Ca 0.17 -0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 2kn9 s ARG 29 Cb -0.16 -2.99 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 2kn9 s ARG 29 CO 0.13 0.03 1.43 0.00 -0.81 0.00 0.00 175.30 176.07 2kn9 n ILE 31 N 4.68 0.00 0.22 0.00 -5.35 -0.32 -1.05 119.36 117.54 2kn9 n ILE 31 Ca 0.13 -0.05 0.12 0.00 -0.27 0.00 0.00 62.75 62.68 2kn9 n ILE 31 Cb 0.43 -0.07 0.17 0.00 -1.74 0.00 0.00 39.64 38.43 2kn9 n ILE 31 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2kn9 h GLN 32 N 0.50 0.00 0.00 6.28 1.08 -1.91 -3.44 115.11 117.62 2kn9 h GLN 32 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kn9 h GLN 32 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2kn9 h GLN 32 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 2kn9 n GLY 34 N 0.20 0.00 3.57 0.00 0.00 -0.22 -5.03 105.19 103.71 2kn9 n GLY 34 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2kn9 n GLY 34 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kn9 s PHE 35 N 0.00 2.89 -0.35 1.61 5.36 -1.24 -4.79 117.98 121.46 2kn9 s PHE 35 Ca 0.00 0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 56.23 2kn9 s PHE 35 Cb 0.00 -4.07 -0.01 0.00 -0.34 0.00 0.00 43.02 38.60 2kn9 s PHE 35 CO 0.00 -1.16 0.32 -1.21 -1.46 0.00 0.00 175.22 171.71 2kn9 s GLU 36 N 3.91 3.46 -0.33 10.12 2.02 -1.26 -0.31 118.70 136.31 2kn9 s GLU 36 Ca 0.38 -0.56 -0.07 0.00 0.02 0.00 0.00 54.97 54.74 2kn9 s GLU 36 Cb -0.10 -3.83 0.03 0.00 0.10 0.00 0.00 34.13 30.33 2kn9 s GLU 36 CO 0.27 -0.54 0.12 -0.47 0.02 0.00 0.00 175.26 174.65 2kn9 s TYR 37 N 1.90 3.21 -0.10 1.61 5.04 0.92 -4.93 117.35 125.02 2kn9 s TYR 37 Ca 0.09 -1.17 -0.28 0.00 -2.44 0.00 0.00 57.07 53.27 2kn9 s TYR 37 Cb -0.17 -2.30 -0.02 0.00 0.35 0.00 0.00 41.96 39.82 2kn9 s TYR 37 CO 0.11 -0.66 0.94 -0.51 -1.34 0.00 0.00 175.55 174.10 2kn9 s ASP 38 N 1.47 7.19 0.56 4.32 1.11 -1.26 -0.17 116.67 129.88 2kn9 s ASP 38 Ca 0.01 1.45 0.27 0.00 0.18 0.00 0.00 52.55 54.46 2kn9 s ASP 38 Cb -0.19 -2.53 1.64 0.00 1.07 0.00 0.00 42.92 42.92 2kn9 s ASP 38 CO 0.03 -0.38 2.19 -0.33 1.18 0.00 0.00 175.17 177.86 2kn9 h GLU 39 N 7.06 0.00 -0.03 8.23 5.08 -1.59 0.20 114.58 133.54 2kn9 h GLU 39 Ca -0.33 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 2kn9 h GLU 39 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2kn9 h GLU 39 CO 0.83 0.04 -0.58 0.00 -1.00 0.00 0.00 179.01 178.30 2kn9 h ALA 40 N 1.96 0.98 0.02 3.43 0.00 -1.92 -0.33 119.26 123.41 2kn9 h ALA 40 Ca -0.00 -0.53 -0.37 0.00 0.00 0.00 0.00 54.91 54.01 2kn9 h ALA 40 Cb 0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2kn9 h ALA 40 CO 0.01 0.72 -2.28 1.28 0.00 0.00 0.00 179.25 178.98 2kn9 n LEU 41 N -3.86 1.77 0.00 0.00 4.77 -0.85 -3.96 117.00 114.87 2kn9 n LEU 41 Ca -0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2kn9 n LEU 41 Cb 0.59 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2kn9 n LEU 41 CO 0.42 0.73 -0.00 0.61 -1.33 0.00 0.00 177.39 177.82 2kn9 n GLY 42 N 1.98 -1.87 2.39 -0.72 0.00 0.65 -3.33 105.19 104.29 2kn9 n GLY 42 Ca -0.36 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 2kn9 n GLY 42 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2kn9 n TRP 43 N -0.44 -0.63 0.68 1.61 -0.00 0.79 -4.74 117.44 114.70 2kn9 n TRP 43 Ca 0.00 -3.39 0.06 0.00 -0.00 0.00 0.00 57.50 54.18 2kn9 n TRP 43 Cb 0.00 0.15 0.34 0.00 -0.00 0.00 0.00 31.31 31.80 2kn9 n TRP 43 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2kn9 n PRO 44 N 2.62 0.26 0.17 5.87 -0.04 -0.85 -1.28 135.00 141.75 2kn9 n PRO 44 Ca 0.28 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.90 2kn9 n PRO 44 Cb 0.48 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.66 2kn9 n PRO 44 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kn9 h GLU 45 N 0.00 0.00 0.00 0.54 4.57 -1.94 -3.04 114.58 114.71 2kn9 h GLU 45 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2kn9 h GLU 45 Cb 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2kn9 h GLU 45 CO 0.00 0.43 -1.68 -3.47 -1.18 0.00 0.00 179.01 173.11 2kn9 n ASP 46 N -3.41 0.39 0.00 1.04 -0.08 -0.40 -4.96 116.55 109.12 2kn9 n ASP 46 Ca 0.01 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 2kn9 n ASP 46 Cb 0.59 1.12 0.00 0.00 2.34 0.00 0.00 41.12 45.17 2kn9 n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kn9 n GLY 47 N 1.33 2.21 3.58 0.27 0.00 -1.10 -5.07 105.19 106.41 2kn9 n GLY 47 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 3.36 0.59 -0.61 1.01 -1.03 -4.79 121.20 117.72 2kn9 s ILE 48 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.89 2kn9 s ILE 48 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2kn9 s ILE 48 CO 0.00 -0.45 0.95 0.00 0.00 0.00 0.00 174.94 175.43 2kn9 s ALA 49 N 8.03 3.19 0.16 9.38 0.00 -1.26 -0.15 121.76 141.12 2kn9 s ALA 49 Ca 0.80 -0.35 -0.34 0.00 0.00 0.00 0.00 51.96 52.08 2kn9 s ALA 49 Cb -0.21 -2.85 -0.14 0.00 0.00 0.00 0.00 23.12 19.93 2kn9 s ALA 49 CO 0.30 -0.67 1.60 0.00 0.00 0.00 0.00 175.76 176.99 2kn9 n ALA 50 N -2.62 1.54 0.00 0.00 0.00 -1.21 -1.26 120.51 116.96 2kn9 n ALA 50 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kn9 n ALA 50 Cb 0.55 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2kn9 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kn9 n GLY 51 N 3.50 0.98 3.62 0.00 0.00 -0.13 -4.92 105.19 108.24 2kn9 n GLY 51 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.27 3.74 0.64 2.61 2.01 -0.39 -4.98 115.64 117.01 2kn9 s THR 52 Ca 0.00 0.81 -0.15 0.00 0.31 0.00 0.00 61.69 62.66 2kn9 s THR 52 Cb 0.00 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 2kn9 s THR 52 CO 0.00 -0.40 1.11 -0.13 -0.69 0.00 0.00 174.62 174.50 2kn9 s ARG 53 N 4.82 2.89 0.58 4.92 1.81 -1.26 -4.84 118.95 127.87 2kn9 s ARG 53 Ca 0.70 1.39 0.28 0.00 -1.72 0.00 0.00 55.73 56.38 2kn9 s ARG 53 Cb -0.22 -1.96 1.69 0.00 -0.45 0.00 0.00 34.95 34.01 2kn9 s ARG 53 CO 0.30 -1.18 2.18 2.35 -0.68 0.00 0.00 175.30 178.27 2kn9 h TRP 54 N 0.16 0.00 -0.08 -0.53 2.91 -1.93 0.62 115.95 117.10 2kn9 h TRP 54 Ca -0.47 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.47 2kn9 h TRP 54 Cb 1.25 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.88 2kn9 h TRP 54 CO 0.55 0.00 -0.30 0.22 -1.03 0.00 0.00 178.44 177.87 2kn9 h ASP 55 N 0.00 0.15 0.94 2.65 3.58 -2.01 -3.02 116.42 118.71 2kn9 h ASP 55 Ca 0.04 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2kn9 h ASP 55 Cb 0.20 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2kn9 h ASP 55 CO -0.00 0.45 -1.05 -0.67 -2.88 0.00 0.00 179.24 175.10 2kn9 n ASP 56 N -4.14 0.81 -4.70 2.28 2.03 0.16 -4.85 116.55 108.14 2kn9 n ASP 56 Ca -0.01 0.31 -0.42 0.00 0.52 0.00 0.00 54.79 55.18 2kn9 n ASP 56 Cb 0.38 0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 41.27 2kn9 n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kn9 s ILE 57 N -3.37 3.64 0.29 5.18 1.01 -0.87 -4.95 121.20 122.14 2kn9 s ILE 57 Ca -0.01 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 61.47 2kn9 s ILE 57 Cb 0.10 -3.71 -0.14 0.00 0.01 0.00 0.00 42.46 38.72 2kn9 s ILE 57 CO 0.80 0.03 0.88 -0.81 0.00 0.00 0.00 174.94 175.84 2kn9 n PRO 58 N 4.81 1.04 0.28 2.79 -0.04 -1.26 -4.87 135.00 137.76 2kn9 n PRO 58 Ca 0.12 0.37 0.17 0.00 -0.04 0.00 0.00 63.50 64.12 2kn9 n PRO 58 Cb 0.44 -1.68 0.70 0.00 -0.04 0.00 0.00 33.50 32.92 2kn9 n PRO 58 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2kn9 h ASP 59 N 1.67 0.00 0.01 3.54 2.03 -1.94 -0.73 116.42 121.00 2kn9 h ASP 59 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2kn9 h ASP 59 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 2kn9 h ASP 59 CO 0.59 0.00 -0.02 0.47 -1.03 0.00 0.00 179.24 179.25 2kn9 n ASP 60 N -3.08 1.23 -4.68 4.15 8.00 -1.26 -4.63 116.55 116.29 2kn9 n ASP 60 Ca 0.01 -1.37 -0.42 0.00 0.71 0.00 0.00 54.79 53.71 2kn9 n ASP 60 Cb 0.30 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 2kn9 n ASP 60 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2kn9 s TRP 61 N -2.04 2.59 0.17 1.24 -0.00 -0.28 -4.97 118.94 115.65 2kn9 s TRP 61 Ca 0.38 0.62 0.06 0.00 -0.00 0.00 0.00 56.10 57.16 2kn9 s TRP 61 Cb 0.21 -3.75 -0.04 0.00 -0.00 0.00 0.00 33.47 29.89 2kn9 s TRP 61 CO 0.35 -2.92 0.10 -1.12 -0.00 0.00 0.00 176.95 173.36 2kn9 s SER 62 N 2.29 5.29 -0.01 5.86 0.01 -1.26 -3.10 113.70 122.79 2kn9 s SER 62 Ca 0.67 -0.22 -0.33 0.00 1.31 0.00 0.00 55.95 57.38 2kn9 s SER 62 Cb -0.32 -1.31 -0.11 0.00 0.21 0.00 0.00 66.02 64.49 2kn9 s SER 62 CO 0.27 0.07 1.87 0.00 0.41 0.00 0.00 173.24 175.85 2kn9 h PRO 64 N 9.09 0.00 0.00 0.00 0.11 -1.97 0.44 132.00 139.67 2kn9 h PRO 64 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kn9 h PRO 64 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2kn9 h PRO 64 CO 0.94 0.00 -0.03 0.22 -0.21 0.00 0.00 178.00 178.92 2kn9 h ASP 65 N 0.00 0.00 -0.15 -2.05 3.58 -1.97 -3.42 116.42 112.41 2kn9 h ASP 65 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kn9 h ASP 65 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2kn9 h ASP 65 CO 0.00 0.19 0.00 0.00 -2.88 0.00 0.00 179.24 176.55 2kn9 n GLY 67 N 0.30 -0.14 3.75 0.00 0.00 0.15 -4.96 105.19 104.29 2kn9 n GLY 67 Ca 0.07 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.86 3.59 1.08 4.61 0.00 -1.25 -4.63 121.76 122.29 2kn9 s ALA 68 Ca 0.13 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 2kn9 s ALA 68 Cb -0.06 -2.46 0.23 0.00 0.00 0.00 0.00 23.12 20.84 2kn9 s ALA 68 CO 0.16 0.16 1.06 0.00 0.00 0.00 0.00 175.76 177.14 2kn9 s ALA 69 N 0.15 0.29 0.53 0.00 0.00 -1.26 0.80 121.76 122.27 2kn9 s ALA 69 Ca 0.21 -0.26 0.23 0.00 0.00 0.00 0.00 51.96 52.14 2kn9 s ALA 69 Cb -0.14 -3.17 1.36 0.00 0.00 0.00 0.00 23.12 21.17 2kn9 s ALA 69 CO 0.08 -3.31 2.02 0.87 0.00 0.00 0.00 175.76 175.42 2kn9 h LYS 70 N -2.24 0.02 0.00 0.00 1.57 -1.80 -0.38 116.57 113.74 2kn9 h LYS 70 Ca -0.58 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2kn9 h LYS 70 Cb 1.33 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.64 2kn9 h LYS 70 CO 0.54 0.01 -0.01 1.03 -0.57 0.00 0.00 179.45 180.46 2kn9 h SER 71 N 0.02 0.00 -0.37 0.86 0.87 -1.91 -0.78 113.55 112.23 2kn9 h SER 71 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2kn9 h SER 71 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2kn9 h SER 71 CO -0.01 0.01 0.00 0.47 -0.53 0.00 0.00 176.83 176.77 2kn9 n ASP 72 N -4.29 3.14 -4.92 6.23 9.92 -0.15 -4.84 116.55 121.64 2kn9 n ASP 72 Ca -0.03 -2.31 -0.31 0.00 -0.53 0.00 0.00 54.79 51.61 2kn9 n ASP 72 Cb 0.10 -0.47 -0.04 0.00 -0.64 0.00 0.00 41.12 40.06 2kn9 n ASP 72 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2kn9 s PHE 73 N -1.77 3.51 -0.13 1.24 0.40 -0.30 -1.17 117.98 119.75 2kn9 s PHE 73 Ca 0.30 0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.94 2kn9 s PHE 73 Cb 0.20 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 2kn9 s PHE 73 CO 0.13 0.55 -0.10 -1.83 0.70 0.00 0.00 175.22 174.67 2kn9 s GLU 74 N -2.57 3.41 -0.63 0.44 -1.05 0.20 -4.88 118.70 113.61 2kn9 s GLU 74 Ca 0.36 -0.64 -0.28 0.00 -0.15 0.00 0.00 54.97 54.27 2kn9 s GLU 74 Cb -0.13 -2.69 0.03 0.00 -0.44 0.00 0.00 34.13 30.90 2kn9 s GLU 74 CO 0.27 0.25 1.25 1.41 0.95 0.00 0.00 175.26 179.40 2kn9 s MET 75 N 0.27 3.37 -0.52 -4.83 -2.45 -1.26 -0.93 119.30 112.95 2kn9 s MET 75 Ca -0.08 0.11 -0.21 0.00 -1.25 0.00 0.00 55.69 54.26 2kn9 s MET 75 Cb -0.15 -4.09 0.05 0.00 1.25 0.00 0.00 34.83 31.89 2kn9 s MET 75 CO 0.05 -1.88 0.75 0.08 1.05 0.00 0.00 175.02 175.07 2kn9 s VAL 76 N 5.38 4.67 -0.11 10.11 1.01 0.14 -4.97 120.40 136.64 2kn9 s VAL 76 Ca 0.42 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 2kn9 s VAL 76 Cb -0.08 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 2kn9 s VAL 76 CO 0.22 -0.92 0.24 -1.83 0.00 0.00 0.00 175.10 172.81 2kn9 s GLU 77 N 3.18 3.82 0.55 2.72 -1.05 -1.26 -1.24 118.70 125.41 2kn9 s GLU 77 Ca 0.22 0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 54.91 2kn9 s GLU 77 Cb -0.16 -3.27 -0.06 0.00 -0.44 0.00 0.00 34.13 30.20 2kn9 s GLU 77 CO 0.15 0.59 1.03 0.14 0.95 0.00 0.00 175.26 178.12 2kn9 s VAL 78 N -0.56 3.98 -0.65 1.83 -7.23 -1.26 -4.97 120.40 111.54 2kn9 s VAL 78 Ca 0.17 1.01 -0.27 0.00 -1.81 0.00 0.00 61.98 61.07 2kn9 s VAL 78 Cb -0.13 -3.48 0.02 0.00 0.56 0.00 0.00 36.38 33.35 2kn9 s VAL 78 CO 0.06 -0.48 1.42 0.00 -0.31 0.00 0.00 175.10 175.79 2kn9 s ALA 79 N -2.38 2.68 -0.79 1.32 0.00 -1.26 -4.94 121.76 116.40 2kn9 s ALA 79 Ca 0.63 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 2kn9 s ALA 79 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 2kn9 s ALA 79 CO 0.31 -3.23 1.92 0.50 0.00 0.00 0.00 175.76 175.26 2kn9 s ARG 80 N 5.84 2.57 0.00 0.00 6.06 -1.26 -5.24 118.95 126.91 2kn9 s ARG 80 Ca 0.47 0.07 0.32 0.00 -2.50 0.00 0.00 55.73 54.09 2kn9 s ARG 80 Cb -0.10 -4.80 1.81 0.00 0.06 0.00 0.00 34.95 31.93 2kn9 s ARG 80 CO 0.20 -3.14 2.18 0.43 -2.50 0.00 0.00 175.30 172.46