#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 -1.85 -0.05 3.04 0.00 -1.26 -5.16 121.76 116.48 2kn9 s ALA 2 Ca 0.00 2.11 -0.01 0.00 0.00 0.00 0.00 51.96 54.06 2kn9 s ALA 2 Cb 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.85 2kn9 s ALA 2 CO 0.00 -0.34 0.02 -1.01 0.00 0.00 0.00 175.76 174.43 2kn9 s HIS 3 N 0.70 0.38 -0.57 0.00 0.09 -1.26 -5.09 115.29 109.54 2kn9 s HIS 3 Ca -0.02 0.01 -0.10 0.00 -0.00 0.00 0.00 55.06 54.95 2kn9 s HIS 3 Cb -0.05 -0.59 0.15 0.00 -0.00 0.00 0.00 32.58 32.09 2kn9 s HIS 3 CO -0.06 -0.23 0.46 -1.58 -0.00 0.00 0.00 174.74 173.34 2kn9 s HIS 4 N 1.74 3.46 -0.50 1.40 5.04 -1.26 -5.03 115.29 120.14 2kn9 s HIS 4 Ca 0.00 -1.94 -0.18 0.00 -1.54 0.00 0.00 55.06 51.41 2kn9 s HIS 4 Cb -0.13 -3.56 0.07 0.00 0.04 0.00 0.00 32.58 29.00 2kn9 s HIS 4 CO -0.03 -0.98 0.55 -1.58 -2.34 0.00 0.00 174.74 170.36 2kn9 s HIS 5 N 0.96 3.11 0.81 3.88 2.46 -1.26 -5.05 115.29 120.20 2kn9 s HIS 5 Ca 0.09 -0.68 -0.10 0.00 0.47 0.00 0.00 55.06 54.83 2kn9 s HIS 5 Cb -0.23 -3.44 0.08 0.00 -0.13 0.00 0.00 32.58 28.86 2kn9 s HIS 5 CO -0.02 -0.97 1.10 -3.38 -2.47 0.00 0.00 174.74 169.00 2kn9 s HIS 6 N 2.30 2.38 0.23 3.88 -0.00 -1.26 -5.06 115.29 117.77 2kn9 s HIS 6 Ca 0.11 1.58 0.01 0.00 -0.00 0.00 0.00 55.06 56.76 2kn9 s HIS 6 Cb -0.21 -3.11 0.01 0.00 -0.00 0.00 0.00 32.58 29.27 2kn9 s HIS 6 CO 0.10 -2.03 0.06 0.72 -0.00 0.00 0.00 174.74 173.58 2kn9 n HIS 7 N -3.69 0.03 -4.75 0.38 8.25 -1.26 -5.15 115.22 109.03 2kn9 n HIS 7 Ca 0.09 -1.09 -0.24 0.00 -0.26 0.00 0.00 57.72 56.22 2kn9 n HIS 7 Cb 0.53 -0.16 -0.15 0.00 1.12 0.00 0.00 29.99 31.32 2kn9 n HIS 7 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kn9 s HIS 8 N -1.63 1.49 -0.20 4.41 -3.43 -1.26 -5.05 115.29 109.62 2kn9 s HIS 8 Ca 0.04 -0.33 -0.21 0.00 -0.80 0.00 0.00 55.06 53.75 2kn9 s HIS 8 Cb -0.00 -0.98 -0.19 0.00 -1.43 0.00 0.00 32.58 29.98 2kn9 s HIS 8 CO 0.03 -0.07 0.24 0.52 -2.00 0.00 0.00 174.74 173.46 2kn9 h MET 9 N 5.95 0.00 0.00 -0.38 2.86 -2.07 -3.51 114.93 117.78 2kn9 h MET 9 Ca -0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 2kn9 h MET 9 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2kn9 h MET 9 CO 0.48 0.93 0.00 0.41 1.06 0.00 0.00 176.91 179.80 2kn9 n GLY 10 N 1.46 -1.81 2.94 8.32 0.00 -1.26 -4.99 105.19 109.85 2kn9 n GLY 10 Ca -0.28 -1.52 -0.08 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 -2.13 -0.66 0.01 2.61 2.01 -1.26 -5.15 115.64 111.08 2kn9 s THR 11 Ca 0.00 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 2kn9 s THR 11 Cb 0.00 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2kn9 s THR 11 CO 0.00 -0.17 0.09 -0.76 -0.69 0.00 0.00 174.62 173.08 2kn9 s LEU 12 N 2.58 3.91 -0.41 4.42 1.43 -1.26 -5.03 118.68 124.31 2kn9 s LEU 12 Ca 0.12 0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 2kn9 s LEU 12 Cb -0.14 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 2kn9 s LEU 12 CO -0.22 0.26 2.33 -1.83 0.23 0.00 0.00 176.35 177.12 2kn9 s GLU 13 N -1.85 2.43 0.03 1.70 -1.05 -1.26 -4.77 118.70 113.93 2kn9 s GLU 13 Ca 0.24 1.57 0.24 0.00 -0.15 0.00 0.00 54.97 56.87 2kn9 s GLU 13 Cb -0.12 -4.51 0.21 0.00 -0.44 0.00 0.00 34.13 29.26 2kn9 s GLU 13 CO 0.15 -2.91 1.18 0.00 0.95 0.00 0.00 175.26 174.64 2kn9 n ALA 14 N 14.55 3.57 -0.53 -0.84 0.00 -1.26 -4.62 120.51 131.38 2kn9 n ALA 14 Ca 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kn9 n ALA 14 Cb 0.52 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2kn9 n ALA 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kn9 n GLN 15 N -1.76 0.00 -3.07 0.00 6.02 -1.26 -4.97 117.38 112.34 2kn9 n GLN 15 Ca 0.04 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 2kn9 n GLN 15 Cb 0.39 -0.32 0.02 0.00 1.02 0.00 0.00 30.24 31.35 2kn9 n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2kn9 n THR 16 N -1.84 -1.59 -3.51 5.09 -1.04 -1.26 -4.93 114.28 105.20 2kn9 n THR 16 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 2kn9 n THR 16 Cb 0.00 -2.87 -0.07 0.00 -1.82 0.00 0.00 70.33 65.57 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 -5.74 4.14 0.00 -2.82 0.74 -1.26 -5.07 119.66 109.65 2kn9 s GLN 17 Ca 0.31 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.94 2kn9 s GLN 17 Cb -0.15 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.60 2kn9 s GLN 17 CO 0.38 0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.89 2kn9 n GLY 18 N 2.92 5.89 3.78 2.59 0.00 -1.26 -5.12 105.19 113.99 2kn9 n GLY 18 Ca -0.12 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 2kn9 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kn9 s PRO 19 N 1.74 4.23 -1.32 1.61 0.04 -1.26 -4.95 135.00 135.09 2kn9 s PRO 19 Ca 0.00 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 2kn9 s PRO 19 Cb 0.00 -2.61 0.07 0.00 0.04 0.00 0.00 34.50 32.00 2kn9 s PRO 19 CO 0.00 -0.09 1.81 0.41 0.04 0.00 0.00 177.00 179.17 2kn9 n GLY 20 N 0.42 2.99 3.56 0.56 0.00 -1.26 -4.92 105.19 106.55 2kn9 n GLY 20 Ca 0.04 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 2kn9 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kn9 s SER 21 N 3.90 5.79 0.00 1.61 0.01 -1.26 -4.70 113.70 119.06 2kn9 s SER 21 Ca 0.52 -0.83 0.22 0.00 1.31 0.00 0.00 55.95 57.17 2kn9 s SER 21 Cb 0.05 -2.56 -0.20 0.00 0.21 0.00 0.00 66.02 63.52 2kn9 s SER 21 CO 0.04 -2.13 0.77 0.23 0.41 0.00 0.00 173.24 172.57 2kn9 n MET 22 N 8.97 0.33 -3.66 12.44 2.81 -1.26 -4.95 117.12 131.79 2kn9 n MET 22 Ca 0.31 -0.07 -0.25 0.00 -1.81 0.00 0.00 57.70 55.88 2kn9 n MET 22 Cb 0.49 -1.53 0.01 0.00 -0.71 0.00 0.00 33.22 31.48 2kn9 n MET 22 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2kn9 s ASN 23 N -3.83 4.75 -1.27 7.83 0.01 -1.26 -4.98 114.94 116.18 2kn9 s ASN 23 Ca 0.01 -1.15 -0.13 0.00 -0.71 0.00 0.00 52.86 50.88 2kn9 s ASN 23 Cb 0.15 0.40 -0.05 0.00 0.41 0.00 0.00 41.25 42.16 2kn9 s ASN 23 CO 0.87 -1.18 2.36 0.47 -1.51 0.00 0.00 177.10 178.11 2kn9 n ASP 24 N -1.90 5.22 -4.75 -1.22 9.92 -1.26 -4.88 116.55 117.69 2kn9 n ASP 24 Ca 0.03 -2.63 -0.35 0.00 -0.53 0.00 0.00 54.79 51.30 2kn9 n ASP 24 Cb 0.64 -1.42 -0.08 0.00 -0.64 0.00 0.00 41.12 39.61 2kn9 n ASP 24 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2kn9 s TYR 25 N 3.29 3.30 0.29 1.24 2.02 -1.26 -5.10 117.35 121.13 2kn9 s TYR 25 Ca 0.54 0.29 0.04 0.00 -0.37 0.00 0.00 57.07 57.57 2kn9 s TYR 25 Cb 0.15 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 2kn9 s TYR 25 CO -0.03 0.56 0.43 0.15 -1.57 0.00 0.00 175.55 175.09 2kn9 s LYS 26 N -1.03 3.39 -0.07 -0.62 1.02 -1.26 -4.63 119.74 116.53 2kn9 s LYS 26 Ca 0.15 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.48 2kn9 s LYS 26 Cb -0.12 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 2kn9 s LYS 26 CO 0.04 0.28 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.44 2kn9 s LEU 27 N -4.11 2.72 -0.17 3.17 2.96 -0.31 -1.38 118.68 121.56 2kn9 s LEU 27 Ca 0.38 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2kn9 s LEU 27 Cb -0.09 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.07 2kn9 s LEU 27 CO 0.31 0.29 -0.10 -0.36 -1.32 0.00 0.00 176.35 175.18 2kn9 s PHE 28 N -0.43 2.13 -0.16 5.38 0.40 0.61 0.81 117.98 126.73 2kn9 s PHE 28 Ca 0.05 -1.31 -0.05 0.00 -0.60 0.00 0.00 56.93 55.02 2kn9 s PHE 28 Cb -0.12 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 2kn9 s PHE 28 CO 0.02 -0.68 0.01 0.50 0.70 0.00 0.00 175.22 175.77 2kn9 s ARG 29 N 1.50 3.71 0.25 0.44 3.52 -0.30 0.05 118.95 128.12 2kn9 s ARG 29 Ca 0.02 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.88 2kn9 s ARG 29 Cb -0.15 -3.02 -0.10 0.00 -1.56 0.00 0.00 34.95 30.12 2kn9 s ARG 29 CO -0.09 0.32 1.41 0.00 -0.81 0.00 0.00 175.30 176.13 2kn9 n ILE 31 N 2.18 0.14 0.03 0.00 -5.35 0.89 -2.08 119.36 115.17 2kn9 n ILE 31 Ca 0.06 -0.13 -0.19 0.00 -0.27 0.00 0.00 62.75 62.22 2kn9 n ILE 31 Cb 0.41 0.15 -0.12 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.00 0.51 0.00 6.28 4.20 -1.91 -3.44 115.11 120.75 2kn9 h GLN 32 Ca 0.00 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.11 2kn9 h GLN 32 Cb 0.62 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2kn9 h GLN 32 CO 0.00 1.23 -0.23 0.00 -0.67 0.00 0.00 178.83 179.16 2kn9 n GLY 34 N 2.83 -0.90 3.68 0.00 0.00 -0.88 -5.03 105.19 104.89 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 0.00 2.51 -3.87 1.61 7.35 -1.26 -4.58 117.46 119.22 2kn9 n PHE 35 Ca 0.00 -0.05 -0.36 0.00 -0.76 0.00 0.00 57.45 56.29 2kn9 n PHE 35 Cb 0.00 -2.69 -0.11 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 2.63 3.85 -0.28 -4.13 2.02 -1.26 0.29 118.70 121.83 2kn9 s GLU 36 Ca 0.83 -0.39 -0.07 0.00 0.02 0.00 0.00 54.97 55.37 2kn9 s GLU 36 Cb -0.55 -3.31 -0.00 0.00 0.10 0.00 0.00 34.13 30.36 2kn9 s GLU 36 CO 0.40 0.04 0.07 -0.47 0.02 0.00 0.00 175.26 175.32 2kn9 s TYR 37 N 1.01 3.11 -0.16 1.61 5.04 0.11 -4.96 117.35 123.12 2kn9 s TYR 37 Ca 0.05 -0.83 -0.13 0.00 -2.44 0.00 0.00 57.07 53.72 2kn9 s TYR 37 Cb -0.14 -2.24 -0.05 0.00 0.35 0.00 0.00 41.96 39.89 2kn9 s TYR 37 CO 0.03 -0.52 0.26 -0.51 -1.34 0.00 0.00 175.55 173.47 2kn9 s ASP 38 N 1.53 6.41 0.52 4.32 1.11 -1.26 -0.28 116.67 129.01 2kn9 s ASP 38 Ca 0.04 0.47 0.24 0.00 0.18 0.00 0.00 52.55 53.48 2kn9 s ASP 38 Cb -0.16 -2.16 1.40 0.00 1.07 0.00 0.00 42.92 43.07 2kn9 s ASP 38 CO 0.02 0.15 2.10 -0.33 1.18 0.00 0.00 175.17 178.28 2kn9 h GLU 39 N 6.47 0.00 -0.00 8.23 5.08 -1.54 0.27 114.58 133.09 2kn9 h GLU 39 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2kn9 h GLU 39 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kn9 h GLU 39 CO 0.74 0.10 -0.06 0.00 -1.00 0.00 0.00 179.01 178.79 2kn9 n ALA 40 N -2.37 2.64 -0.01 3.43 0.00 -1.26 -0.68 120.51 122.26 2kn9 n ALA 40 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.20 2kn9 n ALA 40 Cb 0.19 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.15 2.94 0.00 0.00 0.00 -0.61 -4.54 117.00 113.63 2kn9 n LEU 41 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.14 2kn9 n LEU 41 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 43.42 43.61 2kn9 n LEU 41 CO 0.24 0.53 0.00 0.61 0.00 0.00 0.00 177.39 178.76 2kn9 n GLY 42 N 3.39 -0.15 2.76 -3.96 0.00 0.86 -3.90 105.19 104.19 2kn9 n GLY 42 Ca -0.04 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.26 0.47 1.61 -0.11 0.21 -4.69 118.94 115.17 2kn9 s TRP 43 Ca 0.00 -0.71 0.22 0.00 1.22 0.00 0.00 56.10 56.83 2kn9 s TRP 43 Cb 0.00 0.15 1.33 0.00 -1.50 0.00 0.00 33.47 33.44 2kn9 s TRP 43 CO 0.00 -1.20 2.08 -1.35 -4.62 0.00 0.00 176.95 171.85 2kn9 h PRO 44 N 5.35 0.00 -0.77 5.86 0.11 -1.77 0.93 132.00 141.71 2kn9 h PRO 44 Ca 0.08 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.30 2kn9 h PRO 44 Cb 1.09 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 2kn9 h PRO 44 CO 0.07 0.12 0.40 0.93 -0.21 0.00 0.00 178.00 179.31 2kn9 h GLU 45 N 0.00 0.64 0.00 1.05 4.39 -1.95 -2.32 114.58 116.39 2kn9 h GLU 45 Ca -0.00 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2kn9 h GLU 45 Cb 0.25 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2kn9 h GLU 45 CO 0.01 0.42 -1.48 -3.47 -1.16 0.00 0.00 179.01 173.34 2kn9 n ASP 46 N -4.83 0.57 0.00 1.42 2.03 -1.04 -4.96 116.55 109.74 2kn9 n ASP 46 Ca 0.13 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.67 2kn9 n ASP 46 Cb 0.31 0.80 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 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 1.31 1.95 3.46 0.27 0.00 -0.87 -5.11 105.19 106.20 2kn9 n GLY 47 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 4.81 0.33 -0.61 -1.09 0.27 -4.95 121.20 117.95 2kn9 s ILE 48 Ca 0.00 -0.41 -0.27 0.00 -2.23 0.00 0.00 60.65 57.73 2kn9 s ILE 48 Cb 0.00 -3.49 -0.09 0.00 -1.58 0.00 0.00 42.46 37.30 2kn9 s ILE 48 CO 0.00 0.01 1.09 0.00 -1.23 0.00 0.00 174.94 174.80 2kn9 s ALA 49 N 1.64 3.29 0.02 9.38 0.00 -1.26 -0.62 121.76 134.21 2kn9 s ALA 49 Ca 0.05 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 2kn9 s ALA 49 Cb -0.17 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 2kn9 s ALA 49 CO 0.08 -0.21 1.86 0.00 0.00 0.00 0.00 175.76 177.49 2kn9 s ALA 50 N -1.34 3.61 0.00 0.00 0.00 -1.25 -1.17 121.76 121.62 2kn9 s ALA 50 Ca 0.50 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2kn9 s ALA 50 Cb -0.29 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2kn9 s ALA 50 CO 0.37 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 175.07 2kn9 n GLY 51 N 4.38 1.28 3.68 0.00 0.00 0.14 -4.94 105.19 109.74 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 -2.17 3.90 0.56 2.61 2.01 -0.31 -4.98 115.64 117.25 2kn9 s THR 52 Ca 0.00 1.19 -0.19 0.00 0.31 0.00 0.00 61.69 63.01 2kn9 s THR 52 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2kn9 s THR 52 CO 0.00 -0.05 1.13 -0.13 -0.69 0.00 0.00 174.62 174.88 2kn9 s ARG 53 N 2.99 3.27 0.55 4.92 1.81 -1.26 -4.81 118.95 126.42 2kn9 s ARG 53 Ca 0.62 1.61 0.23 0.00 -1.72 0.00 0.00 55.73 56.47 2kn9 s ARG 53 Cb -0.28 -1.99 1.45 0.00 -0.45 0.00 0.00 34.95 33.67 2kn9 s ARG 53 CO 0.23 -0.92 2.09 2.35 -0.68 0.00 0.00 175.30 178.38 2kn9 h TRP 54 N 1.06 0.00 0.00 -0.53 2.91 -1.96 -0.14 115.95 117.29 2kn9 h TRP 54 Ca -0.50 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.48 2kn9 h TRP 54 Cb 1.26 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.91 2kn9 h TRP 54 CO 0.51 0.00 -0.21 -0.44 -1.03 0.00 0.00 178.44 177.28 2kn9 h ASP 55 N 0.00 0.00 0.82 2.65 5.19 -2.02 -2.78 116.42 120.28 2kn9 h ASP 55 Ca 0.11 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.39 2kn9 h ASP 55 Cb 0.49 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 2kn9 h ASP 55 CO -0.00 0.21 -1.26 -0.78 -3.12 0.00 0.00 179.24 174.28 2kn9 h ASP 56 N 0.00 0.00 -2.51 6.45 3.58 -1.39 -3.47 116.42 119.09 2kn9 h ASP 56 Ca -0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2kn9 h ASP 56 Cb 0.38 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.48 2kn9 h ASP 56 CO 0.03 0.45 1.11 -0.38 -2.88 0.00 0.00 179.24 177.57 2kn9 n ILE 57 N -2.87 0.34 -1.58 2.25 5.41 -1.05 -4.90 119.36 116.96 2kn9 n ILE 57 Ca -0.07 -0.06 -0.43 0.00 1.00 0.00 0.00 62.75 63.19 2kn9 n ILE 57 Cb 0.77 -2.12 -0.00 0.00 -0.71 0.00 0.00 39.64 37.58 2kn9 n ILE 57 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2kn9 n PRO 58 N 5.53 1.25 0.25 0.38 -0.04 -1.26 -4.87 135.00 136.23 2kn9 n PRO 58 Ca 0.18 0.44 0.10 0.00 -0.04 0.00 0.00 63.50 64.18 2kn9 n PRO 58 Cb 0.37 -1.86 0.64 0.00 -0.04 0.00 0.00 33.50 32.61 2kn9 n PRO 58 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kn9 h ASP 59 N 1.68 0.00 0.64 3.54 3.58 -1.97 -0.85 116.42 123.03 2kn9 h ASP 59 Ca -0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2kn9 h ASP 59 Cb 1.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.40 2kn9 h ASP 59 CO 0.58 0.16 -0.01 0.47 -2.88 0.00 0.00 179.24 177.57 2kn9 n ASP 60 N -3.80 0.02 -4.72 2.28 9.92 -1.26 -4.78 116.55 114.21 2kn9 n ASP 60 Ca -0.02 -0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 53.78 2kn9 n ASP 60 Cb 0.26 -0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 40.40 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 -2.65 3.31 0.29 1.24 -0.00 -0.33 -5.02 118.94 115.79 2kn9 s TRP 61 Ca 0.26 1.13 0.10 0.00 -0.00 0.00 0.00 56.10 57.59 2kn9 s TRP 61 Cb 0.20 -3.58 -0.06 0.00 -0.00 0.00 0.00 33.47 30.03 2kn9 s TRP 61 CO 0.48 -1.91 -0.14 -1.12 -0.00 0.00 0.00 176.95 174.25 2kn9 s SER 62 N 0.85 3.40 -0.14 5.86 0.01 -1.26 -4.11 113.70 118.32 2kn9 s SER 62 Ca 0.61 -1.10 -0.32 0.00 1.31 0.00 0.00 55.95 56.44 2kn9 s SER 62 Cb -0.35 -0.28 -0.10 0.00 0.21 0.00 0.00 66.02 65.51 2kn9 s SER 62 CO 0.32 -0.11 2.02 0.00 0.41 0.00 0.00 173.24 175.88 2kn9 n PRO 64 N 7.49 0.96 0.03 0.00 -0.04 -1.26 -0.59 135.00 141.58 2kn9 n PRO 64 Ca 0.27 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2kn9 n PRO 64 Cb 0.34 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 2kn9 n PRO 64 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kn9 n ASP 65 N 2.54 -0.31 0.00 3.54 2.03 -1.26 -4.96 116.55 118.14 2kn9 n ASP 65 Ca 0.18 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2kn9 n ASP 65 Cb 0.44 0.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.29 2kn9 n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kn9 n GLY 67 N 0.18 0.27 3.77 0.00 0.00 0.24 -5.00 105.19 104.66 2kn9 n GLY 67 Ca 0.00 -0.76 -0.38 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 -2.17 3.20 1.02 4.61 0.00 -1.25 -4.63 121.76 122.54 2kn9 s ALA 68 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 2kn9 s ALA 68 Cb 0.00 -3.27 0.20 0.00 0.00 0.00 0.00 23.12 20.06 2kn9 s ALA 68 CO 0.00 -0.11 1.16 0.00 0.00 0.00 0.00 175.76 176.81 2kn9 s ALA 69 N -1.51 1.40 0.38 0.00 0.00 -1.26 0.67 121.76 121.45 2kn9 s ALA 69 Ca 0.52 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.78 2kn9 s ALA 69 Cb -0.24 -2.94 0.77 0.00 0.00 0.00 0.00 23.12 20.70 2kn9 s ALA 69 CO 0.30 -2.79 1.95 0.87 0.00 0.00 0.00 175.76 176.09 2kn9 h LYS 70 N -1.91 0.40 0.00 0.00 1.57 -1.87 -0.12 116.57 114.64 2kn9 h LYS 70 Ca -0.48 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2kn9 h LYS 70 Cb 1.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2kn9 h LYS 70 CO 0.48 0.41 0.00 0.43 -0.57 0.00 0.00 179.45 180.20 2kn9 n SER 71 N -4.34 0.67 -0.99 0.86 7.64 -1.26 -1.07 113.62 115.12 2kn9 n SER 71 Ca 0.01 0.71 0.08 0.00 1.01 0.00 0.00 58.87 60.68 2kn9 n SER 71 Cb 0.20 -0.84 0.23 0.00 -1.01 0.00 0.00 64.21 62.79 2kn9 n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kn9 n ASP 72 N -2.29 2.87 -4.79 6.43 8.00 -0.06 -4.85 116.55 121.86 2kn9 n ASP 72 Ca 0.01 -2.09 -0.28 0.00 0.71 0.00 0.00 54.79 53.14 2kn9 n ASP 72 Cb 0.16 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.45 3.19 -0.04 1.24 0.40 -0.24 -0.08 117.98 121.00 2kn9 s PHE 73 Ca 0.34 0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.74 2kn9 s PHE 73 Cb 0.19 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 2kn9 s PHE 73 CO 0.21 0.52 -0.11 -1.83 0.70 0.00 0.00 175.22 174.71 2kn9 s GLU 74 N -2.73 2.55 -0.53 0.44 -1.05 0.18 -4.88 118.70 112.67 2kn9 s GLU 74 Ca 0.30 -0.67 -0.26 0.00 -0.15 0.00 0.00 54.97 54.19 2kn9 s GLU 74 Cb -0.11 -2.45 0.03 0.00 -0.44 0.00 0.00 34.13 31.16 2kn9 s GLU 74 CO 0.23 0.63 1.04 1.41 0.95 0.00 0.00 175.26 179.51 2kn9 s MET 75 N -0.92 3.48 -0.23 -4.83 -2.45 -1.26 -1.15 119.30 111.93 2kn9 s MET 75 Ca 0.13 0.09 -0.08 0.00 -1.25 0.00 0.00 55.69 54.58 2kn9 s MET 75 Cb -0.11 -4.00 -0.04 0.00 1.25 0.00 0.00 34.83 31.94 2kn9 s MET 75 CO 0.02 -1.47 0.08 0.08 1.05 0.00 0.00 175.02 174.78 2kn9 s VAL 76 N 4.27 4.59 0.18 10.11 1.01 0.24 -5.01 120.40 135.79 2kn9 s VAL 76 Ca 0.38 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 2kn9 s VAL 76 Cb -0.10 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 2kn9 s VAL 76 CO 0.24 0.37 0.59 -1.61 0.00 0.00 0.00 175.10 174.69 2kn9 s GLU 77 N 1.23 4.01 0.65 2.72 0.41 -1.26 -1.16 118.70 125.30 2kn9 s GLU 77 Ca 0.05 0.55 -0.04 0.00 -0.41 0.00 0.00 54.97 55.12 2kn9 s GLU 77 Cb -0.14 -2.86 0.05 0.00 -1.78 0.00 0.00 34.13 29.39 2kn9 s GLU 77 CO 0.04 0.43 0.93 0.14 -0.49 0.00 0.00 175.26 176.31 2kn9 s VAL 78 N -1.54 2.44 -0.61 2.63 -7.23 -1.26 -4.94 120.40 109.88 2kn9 s VAL 78 Ca 0.41 -0.40 -0.20 0.00 -1.81 0.00 0.00 61.98 59.97 2kn9 s VAL 78 Cb -0.15 -3.01 0.09 0.00 0.56 0.00 0.00 36.38 33.87 2kn9 s VAL 78 CO 0.20 -0.01 0.80 0.00 -0.31 0.00 0.00 175.10 175.78 2kn9 s ALA 79 N -3.07 3.29 -0.43 1.32 0.00 -1.26 -5.01 121.76 116.60 2kn9 s ALA 79 Ca 0.59 -2.04 -0.28 0.00 0.00 0.00 0.00 51.96 50.23 2kn9 s ALA 79 Cb -0.11 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.39 2kn9 s ALA 79 CO 0.42 -2.50 1.05 0.50 0.00 0.00 0.00 175.76 175.24 2kn9 s ARG 80 N 3.23 3.77 0.00 0.00 3.52 -1.26 -5.09 118.95 123.12 2kn9 s ARG 80 Ca 0.16 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 2kn9 s ARG 80 Cb -0.21 -3.86 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 2kn9 s ARG 80 CO 0.08 -1.19 0.00 0.43 -0.81 0.00 0.00 175.30 173.82