#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 3.23 -0.41 3.04 0.00 -1.26 -5.00 121.76 121.36 2kn9 s ALA 2 Ca 0.00 -2.03 -0.29 0.00 0.00 0.00 0.00 51.96 49.65 2kn9 s ALA 2 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 23.12 19.37 2kn9 s ALA 2 CO 0.00 -2.65 1.46 -1.58 0.00 0.00 0.00 175.76 172.99 2kn9 s HIS 3 N 3.52 2.33 0.38 0.00 2.46 -1.26 -4.99 115.29 117.74 2kn9 s HIS 3 Ca 0.19 0.66 -0.20 0.00 0.47 0.00 0.00 55.06 56.19 2kn9 s HIS 3 Cb -0.19 -4.30 -0.10 0.00 -0.13 0.00 0.00 32.58 27.86 2kn9 s HIS 3 CO 0.08 -2.09 0.88 -3.38 -2.47 0.00 0.00 174.74 167.76 2kn9 s HIS 4 N 5.61 3.38 0.22 3.88 -3.43 -1.26 -5.08 115.29 118.60 2kn9 s HIS 4 Ca 0.63 1.51 0.03 0.00 -0.80 0.00 0.00 55.06 56.44 2kn9 s HIS 4 Cb -0.15 -2.76 0.04 0.00 -1.43 0.00 0.00 32.58 28.28 2kn9 s HIS 4 CO 0.33 -0.00 0.30 0.72 -2.00 0.00 0.00 174.74 174.09 2kn9 n HIS 5 N -0.38 -2.79 -4.75 0.38 8.25 -1.26 -5.12 115.22 109.55 2kn9 n HIS 5 Ca 0.05 -0.77 -0.32 0.00 -0.26 0.00 0.00 57.72 56.42 2kn9 n HIS 5 Cb 0.53 -0.21 -0.17 0.00 1.12 0.00 0.00 29.99 31.27 2kn9 n HIS 5 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kn9 s HIS 6 N -0.39 2.58 0.44 4.41 2.46 -1.26 -5.12 115.29 118.41 2kn9 s HIS 6 Ca 0.23 -1.25 -0.06 0.00 0.47 0.00 0.00 55.06 54.45 2kn9 s HIS 6 Cb -0.02 -1.75 -0.04 0.00 -0.13 0.00 0.00 32.58 30.64 2kn9 s HIS 6 CO 0.14 -0.56 0.75 -1.01 -2.47 0.00 0.00 174.74 171.59 2kn9 s HIS 7 N 0.74 3.53 0.72 3.88 3.76 -1.26 -5.07 115.29 121.60 2kn9 s HIS 7 Ca -0.09 0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 55.50 2kn9 s HIS 7 Cb -0.16 -2.28 0.03 0.00 1.11 0.00 0.00 32.58 31.28 2kn9 s HIS 7 CO 0.00 -0.18 1.10 -1.01 -0.85 0.00 0.00 174.74 173.80 2kn9 s HIS 8 N -2.59 2.57 0.21 1.40 3.76 -1.26 -4.96 115.29 114.42 2kn9 s HIS 8 Ca 0.47 1.56 -0.02 0.00 -0.15 0.00 0.00 55.06 56.92 2kn9 s HIS 8 Cb -0.10 -3.11 0.18 0.00 1.11 0.00 0.00 32.58 30.65 2kn9 s HIS 8 CO 0.40 -1.78 1.56 1.98 -0.85 0.00 0.00 174.74 176.05 2kn9 h MET 9 N -0.61 0.57 0.00 1.40 4.05 -2.08 -3.49 114.93 114.76 2kn9 h MET 9 Ca -0.45 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 58.66 2kn9 h MET 9 Cb 1.24 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2kn9 h MET 9 CO 0.52 0.90 0.00 0.41 0.23 0.00 0.00 176.91 178.97 2kn9 n GLY 10 N 0.06 0.42 3.68 1.39 0.00 -1.26 -5.01 105.19 104.46 2kn9 n GLY 10 Ca -0.02 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.23 5.18 0.38 2.61 2.01 -1.26 -5.08 115.64 118.25 2kn9 s THR 11 Ca 0.00 0.79 0.07 0.00 0.31 0.00 0.00 61.69 62.87 2kn9 s THR 11 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2kn9 s THR 11 CO 0.00 0.25 0.39 -0.76 -0.69 0.00 0.00 174.62 173.81 2kn9 s LEU 12 N 1.28 3.59 -0.74 4.42 1.43 -1.26 -5.01 118.68 122.38 2kn9 s LEU 12 Ca 0.21 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 2kn9 s LEU 12 Cb -0.15 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.69 2kn9 s LEU 12 CO 0.08 -0.53 2.15 -1.61 0.23 0.00 0.00 176.35 176.67 2kn9 s GLU 13 N -4.12 2.19 0.00 1.70 0.41 -1.26 -4.70 118.70 112.92 2kn9 s GLU 13 Ca 0.46 0.40 0.25 0.00 -0.41 0.00 0.00 54.97 55.67 2kn9 s GLU 13 Cb -0.06 -4.77 0.41 0.00 -1.78 0.00 0.00 34.13 27.93 2kn9 s GLU 13 CO 0.29 -3.57 1.34 0.00 -0.49 0.00 0.00 175.26 172.83 2kn9 n ALA 14 N 15.53 3.59 -0.04 5.21 0.00 -1.26 -4.56 120.51 138.99 2kn9 n ALA 14 Ca 0.38 -0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 2kn9 n ALA 14 Cb 0.48 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.04 0.22 -3.12 0.00 6.02 -1.26 -5.04 117.38 113.16 2kn9 n GLN 15 Ca 0.08 0.18 -0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2kn9 n GLN 15 Cb 0.35 -0.99 0.06 0.00 1.02 0.00 0.00 30.24 30.69 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 -3.33 -8.75 -2.45 5.09 -1.04 -1.26 -4.94 114.28 97.61 2kn9 n THR 16 Ca -0.05 -1.18 -0.43 0.00 -2.04 0.00 0.00 64.05 60.36 2kn9 n THR 16 Cb 0.19 -6.34 -0.02 0.00 -1.82 0.00 0.00 70.33 62.33 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 -4.18 4.30 0.00 -2.82 0.74 -1.26 -5.03 119.66 111.41 2kn9 s GLN 17 Ca 0.39 1.67 0.00 0.00 0.05 0.00 0.00 55.36 57.47 2kn9 s GLN 17 Cb -0.05 -3.64 0.00 0.00 1.10 0.00 0.00 33.01 30.42 2kn9 s GLN 17 CO 0.69 -0.55 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 2kn9 n GLY 18 N 3.46 1.04 0.00 2.59 0.00 -1.26 -5.10 105.19 105.92 2kn9 n GLY 18 Ca 0.12 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2kn9 n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kn9 n PRO 19 N 0.00 0.16 0.00 1.61 -0.04 -1.26 -5.08 135.00 130.39 2kn9 n PRO 19 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kn9 n PRO 19 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2kn9 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kn9 n GLY 20 N 5.00 -0.91 3.77 0.55 0.00 -1.26 -5.11 105.19 107.22 2kn9 n GLY 20 Ca 0.00 0.39 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 5.18 0.01 1.61 0.01 -1.26 -4.98 113.70 114.27 2kn9 s SER 21 Ca 0.00 2.10 0.03 0.00 1.31 0.00 0.00 55.95 59.39 2kn9 s SER 21 Cb 0.00 -2.57 -0.25 0.00 0.21 0.00 0.00 66.02 63.41 2kn9 s SER 21 CO 0.00 -1.59 0.87 0.24 0.41 0.00 0.00 173.24 173.18 2kn9 h MET 22 N 0.34 0.14 0.00 12.44 2.86 -2.01 -3.47 114.93 125.23 2kn9 h MET 22 Ca -0.48 -0.24 -0.41 0.00 -2.06 0.00 0.00 59.70 56.52 2kn9 h MET 22 Cb 1.26 0.09 0.11 0.00 0.06 0.00 0.00 31.60 33.12 2kn9 h MET 22 CO 0.54 0.94 0.22 0.09 1.06 0.00 0.00 176.91 179.76 2kn9 n ASN 23 N -3.33 0.76 -4.57 1.22 4.13 -1.26 -4.95 115.26 107.26 2kn9 n ASN 23 Ca -0.14 -1.79 -0.43 0.00 1.68 0.00 0.00 54.58 53.91 2kn9 n ASN 23 Cb 1.02 -0.72 -0.00 0.00 -1.54 0.00 0.00 39.78 38.54 2kn9 n ASN 23 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kn9 s ASP 24 N -4.96 6.82 0.20 6.41 -1.08 -1.26 -4.89 116.67 117.91 2kn9 s ASP 24 Ca 0.63 -2.39 0.11 0.00 -0.52 0.00 0.00 52.55 50.38 2kn9 s ASP 24 Cb -0.03 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.83 2kn9 s ASP 24 CO 0.43 -1.17 -0.22 -0.31 0.52 0.00 0.00 175.17 174.42 2kn9 s TYR 25 N 4.05 2.20 0.07 -5.34 2.02 -1.26 -5.09 117.35 113.99 2kn9 s TYR 25 Ca 0.52 -0.38 -0.22 0.00 -0.37 0.00 0.00 57.07 56.62 2kn9 s TYR 25 Cb 0.03 -1.07 -0.06 0.00 -0.40 0.00 0.00 41.96 40.45 2kn9 s TYR 25 CO 0.05 0.49 0.65 0.15 -1.57 0.00 0.00 175.55 175.32 2kn9 s LYS 26 N -2.80 4.35 -0.38 -0.62 1.02 -1.26 -4.27 119.74 115.78 2kn9 s LYS 26 Ca 0.21 0.87 -0.10 0.00 0.02 0.00 0.00 55.97 56.97 2kn9 s LYS 26 Cb -0.07 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2kn9 s LYS 26 CO 0.10 0.50 0.19 -0.51 -0.92 0.00 0.00 175.35 174.71 2kn9 s LEU 27 N -0.72 4.72 -0.28 3.17 2.01 -0.01 -1.36 118.68 126.21 2kn9 s LEU 27 Ca 0.32 -1.13 -0.08 0.00 0.01 0.00 0.00 54.13 53.25 2kn9 s LEU 27 Cb -0.20 -1.98 -0.01 0.00 0.01 0.00 0.00 46.19 44.01 2kn9 s LEU 27 CO 0.21 -0.40 0.09 -0.36 1.01 0.00 0.00 176.35 176.89 2kn9 s PHE 28 N 1.49 3.12 -0.21 0.29 0.40 0.85 0.39 117.98 124.32 2kn9 s PHE 28 Ca 0.01 -0.69 -0.06 0.00 -0.60 0.00 0.00 56.93 55.59 2kn9 s PHE 28 Cb -0.20 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 2kn9 s PHE 28 CO 0.05 -0.47 0.03 0.50 0.70 0.00 0.00 175.22 176.03 2kn9 s ARG 29 N 1.57 3.71 -0.01 0.44 3.52 -0.42 0.39 118.95 128.15 2kn9 s ARG 29 Ca 0.05 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 2kn9 s ARG 29 Cb -0.16 -3.16 -0.06 0.00 -1.56 0.00 0.00 34.95 30.01 2kn9 s ARG 29 CO 0.03 0.04 1.47 0.00 -0.81 0.00 0.00 175.30 176.03 2kn9 n ILE 31 N 4.85 0.00 0.15 0.00 -5.35 0.14 -0.55 119.36 118.60 2kn9 n ILE 31 Ca 0.14 -0.02 0.06 0.00 -0.27 0.00 0.00 62.75 62.66 2kn9 n ILE 31 Cb 0.43 -0.19 0.05 0.00 -1.74 0.00 0.00 39.64 38.19 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 0.18 0.00 0.00 6.28 1.08 -1.91 -3.43 115.11 117.31 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 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2kn9 h GLN 32 CO 0.00 0.29 0.00 0.00 -0.95 0.00 0.00 178.83 178.17 2kn9 n GLY 34 N 1.04 0.68 3.60 0.00 0.00 0.29 -5.05 105.19 105.75 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 -1.25 1.50 -0.37 1.61 5.36 -1.25 -4.70 117.98 118.89 2kn9 s PHE 35 Ca 0.00 0.54 -0.17 0.00 -0.96 0.00 0.00 56.93 56.34 2kn9 s PHE 35 Cb 0.00 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2kn9 s PHE 35 CO 0.00 -3.58 0.47 -1.21 -1.46 0.00 0.00 175.22 169.44 2kn9 s GLU 36 N 5.90 3.49 -0.26 10.12 2.02 -1.26 -0.15 118.70 138.56 2kn9 s GLU 36 Ca 0.90 -0.34 -0.16 0.00 0.02 0.00 0.00 54.97 55.38 2kn9 s GLU 36 Cb -0.28 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.07 2kn9 s GLU 36 CO 0.34 -0.68 0.45 -0.47 0.02 0.00 0.00 175.26 174.93 2kn9 s TYR 37 N 2.29 3.26 -0.20 1.61 5.04 0.16 -4.79 117.35 124.71 2kn9 s TYR 37 Ca 0.16 0.53 -0.08 0.00 -2.44 0.00 0.00 57.07 55.24 2kn9 s TYR 37 Cb -0.16 -2.65 -0.04 0.00 0.35 0.00 0.00 41.96 39.46 2kn9 s TYR 37 CO 0.13 -0.26 0.08 0.34 -1.34 0.00 0.00 175.55 174.50 2kn9 s ASP 38 N 1.59 5.60 0.53 4.32 -1.08 -1.26 -0.11 116.67 126.27 2kn9 s ASP 38 Ca 0.18 0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.47 2kn9 s ASP 38 Cb -0.16 -1.98 1.37 0.00 -1.46 0.00 0.00 42.92 40.70 2kn9 s ASP 38 CO 0.09 0.12 2.04 -0.33 0.52 0.00 0.00 175.17 177.61 2kn9 h GLU 39 N 7.13 0.00 0.00 4.34 5.08 -1.51 0.17 114.58 129.79 2kn9 h GLU 39 Ca -0.37 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 2kn9 h GLU 39 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kn9 h GLU 39 CO 0.67 0.00 -0.29 0.00 -1.00 0.00 0.00 179.01 178.39 2kn9 h ALA 40 N 1.81 0.89 0.00 3.43 0.00 -1.88 0.72 119.26 124.22 2kn9 h ALA 40 Ca 0.18 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2kn9 h ALA 40 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2kn9 h ALA 40 CO -0.00 0.36 -0.60 -0.07 0.00 0.00 0.00 179.25 178.94 2kn9 h LEU 41 N 0.00 0.00 0.00 0.00 -0.00 -1.40 -3.34 115.31 110.57 2kn9 h LEU 41 Ca -0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2kn9 h LEU 41 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2kn9 h LEU 41 CO 0.04 1.05 0.00 0.61 -0.00 0.00 0.00 178.44 180.14 2kn9 n GLY 42 N 1.57 -1.48 2.96 0.83 0.00 -0.34 -3.97 105.19 104.77 2kn9 n GLY 42 Ca -0.16 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.63 -0.30 1.61 -0.11 -0.01 -4.86 118.94 113.63 2kn9 s TRP 43 Ca 0.00 -0.21 0.25 0.00 1.22 0.00 0.00 56.10 57.36 2kn9 s TRP 43 Cb 0.00 0.30 1.13 0.00 -1.50 0.00 0.00 33.47 33.40 2kn9 s TRP 43 CO 0.00 -1.23 1.76 -1.00 -4.62 0.00 0.00 176.95 171.86 2kn9 h PRO 44 N 5.96 0.00 0.00 5.86 0.13 -1.70 -1.31 132.00 140.93 2kn9 h PRO 44 Ca 0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 2kn9 h PRO 44 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kn9 h PRO 44 CO 0.06 0.00 -0.09 0.93 -0.23 0.00 0.00 178.00 178.67 2kn9 h GLU 45 N 0.00 0.00 0.00 0.86 3.07 -1.96 -2.75 114.58 113.81 2kn9 h GLU 45 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2kn9 h GLU 45 Cb 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2kn9 h GLU 45 CO 0.00 0.09 -1.94 -3.47 -1.40 0.00 0.00 179.01 172.29 2kn9 n ASP 46 N -3.25 0.65 0.00 1.42 2.03 -0.84 -4.99 116.55 111.58 2kn9 n ASP 46 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kn9 n ASP 46 Cb 0.34 1.67 0.00 0.00 -0.72 0.00 0.00 41.12 42.41 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 1.53 0.67 3.57 0.27 0.00 -1.04 -5.10 105.19 105.09 2kn9 n GLY 47 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.46 4.67 0.55 -0.61 1.01 -0.55 -4.88 121.20 119.92 2kn9 s ILE 48 Ca 0.00 0.74 -0.16 0.00 0.00 0.00 0.00 60.65 61.23 2kn9 s ILE 48 Cb 0.00 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 2kn9 s ILE 48 CO 0.00 -0.58 1.02 0.00 0.00 0.00 0.00 174.94 175.39 2kn9 s ALA 49 N 3.26 2.90 0.00 9.38 0.00 -1.26 -0.83 121.76 135.21 2kn9 s ALA 49 Ca 0.32 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 2kn9 s ALA 49 Cb -0.12 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 2kn9 s ALA 49 CO 0.20 -0.51 1.72 0.00 0.00 0.00 0.00 175.76 177.16 2kn9 s ALA 50 N -2.52 3.63 0.00 0.00 0.00 -1.25 -1.17 121.76 120.45 2kn9 s ALA 50 Ca 0.61 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2kn9 s ALA 50 Cb -0.13 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2kn9 s ALA 50 CO 0.33 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.17 2kn9 n GLY 51 N 4.17 0.57 3.71 0.00 0.00 0.24 -4.96 105.19 108.92 2kn9 n GLY 51 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 3.21 0.46 2.61 2.01 -0.31 -4.94 115.64 116.68 2kn9 s THR 52 Ca 0.00 0.81 -0.21 0.00 0.31 0.00 0.00 61.69 62.60 2kn9 s THR 52 Cb 0.00 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 2kn9 s THR 52 CO 0.00 0.04 1.01 -0.13 -0.69 0.00 0.00 174.62 174.85 2kn9 s ARG 53 N 1.58 3.98 0.61 4.92 1.81 -1.26 -4.76 118.95 125.83 2kn9 s ARG 53 Ca 0.67 1.30 0.34 0.00 -1.72 0.00 0.00 55.73 56.32 2kn9 s ARG 53 Cb -0.38 -2.18 1.97 0.00 -0.45 0.00 0.00 34.95 33.92 2kn9 s ARG 53 CO 0.30 -0.27 2.28 2.35 -0.68 0.00 0.00 175.30 179.28 2kn9 h TRP 54 N 1.79 0.00 -0.61 -0.53 2.91 -1.94 -0.60 115.95 116.97 2kn9 h TRP 54 Ca -0.49 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.53 2kn9 h TRP 54 Cb 1.21 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.83 2kn9 h TRP 54 CO 0.58 0.01 0.37 -0.44 -1.03 0.00 0.00 178.44 177.93 2kn9 h ASP 55 N 0.00 0.72 1.05 2.65 5.19 -2.02 -2.69 116.42 121.32 2kn9 h ASP 55 Ca -0.00 -0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.21 2kn9 h ASP 55 Cb 0.02 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 2kn9 h ASP 55 CO 0.00 0.55 -1.01 0.44 -3.12 0.00 0.00 179.24 176.10 2kn9 h ASP 56 N 0.84 0.00 -2.55 6.45 3.32 -1.49 -3.45 116.42 119.54 2kn9 h ASP 56 Ca 0.22 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.74 2kn9 h ASP 56 Cb -0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.52 2kn9 h ASP 56 CO -0.04 0.69 1.11 -0.63 -1.72 0.00 0.00 179.24 178.65 2kn9 s ILE 57 N -2.85 3.14 0.45 0.35 1.01 -1.01 -4.93 121.20 117.36 2kn9 s ILE 57 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.78 2kn9 s ILE 57 Cb 0.08 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 2kn9 s ILE 57 CO 0.79 -0.02 1.09 -0.81 0.00 0.00 0.00 174.94 175.99 2kn9 n PRO 58 N 6.66 1.47 0.27 2.79 -0.04 -1.26 -4.88 135.00 140.01 2kn9 n PRO 58 Ca 0.18 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.29 2kn9 n PRO 58 Cb 0.41 -2.18 0.76 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.55 0.00 0.01 3.54 2.03 -1.95 -0.84 116.42 120.76 2kn9 h ASP 59 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2kn9 h ASP 59 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 2kn9 h ASP 59 CO 0.57 0.09 -0.01 -0.90 -1.03 0.00 0.00 179.24 177.96 2kn9 n ASP 60 N -3.80 1.14 -4.72 4.15 5.75 -1.26 -4.47 116.55 113.35 2kn9 n ASP 60 Ca -0.02 -1.35 -0.42 0.00 -0.01 0.00 0.00 54.79 52.99 2kn9 n ASP 60 Cb 0.19 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 2kn9 n ASP 60 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2kn9 s TRP 61 N -2.03 3.12 0.11 2.11 -0.00 -0.32 -4.95 118.94 116.98 2kn9 s TRP 61 Ca 0.39 0.76 0.06 0.00 -0.00 0.00 0.00 56.10 57.32 2kn9 s TRP 61 Cb 0.21 -3.84 -0.04 0.00 -0.00 0.00 0.00 33.47 29.80 2kn9 s TRP 61 CO 0.35 -3.03 -0.04 -1.12 -0.00 0.00 0.00 176.95 173.11 2kn9 s SER 62 N 1.06 4.70 0.05 5.86 0.01 -1.26 -3.15 113.70 120.97 2kn9 s SER 62 Ca 0.67 -0.31 -0.32 0.00 1.31 0.00 0.00 55.95 57.30 2kn9 s SER 62 Cb -0.41 -1.00 -0.11 0.00 0.21 0.00 0.00 66.02 64.71 2kn9 s SER 62 CO 0.32 0.16 1.86 0.00 0.41 0.00 0.00 173.24 175.99 2kn9 n PRO 64 N 6.19 0.13 -0.07 0.00 -0.04 -1.26 0.94 135.00 140.89 2kn9 n PRO 64 Ca 0.20 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2kn9 n PRO 64 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.25 0.55 0.00 3.54 2.03 -1.26 -4.76 116.55 115.39 2kn9 n ASP 65 Ca 0.04 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2kn9 n ASP 65 Cb 0.06 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.23 0.71 3.83 0.00 0.00 0.27 -4.98 105.19 105.24 2kn9 n GLY 67 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 2.89 0.93 4.61 0.00 -1.26 -4.54 121.76 122.39 2kn9 s ALA 68 Ca 0.00 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.05 2kn9 s ALA 68 Cb 0.00 -3.17 0.17 0.00 0.00 0.00 0.00 23.12 20.12 2kn9 s ALA 68 CO 0.00 -0.61 1.25 0.00 0.00 0.00 0.00 175.76 176.40 2kn9 s ALA 69 N -2.64 2.21 0.37 0.00 0.00 -1.26 0.82 121.76 121.26 2kn9 s ALA 69 Ca 0.60 -0.98 0.29 0.00 0.00 0.00 0.00 51.96 51.88 2kn9 s ALA 69 Cb -0.13 -2.86 1.45 0.00 0.00 0.00 0.00 23.12 21.58 2kn9 s ALA 69 CO 0.38 -2.29 2.06 0.87 0.00 0.00 0.00 175.76 176.77 2kn9 h LYS 70 N -1.53 0.00 0.00 0.00 1.57 -1.77 -0.48 116.57 114.36 2kn9 h LYS 70 Ca -0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2kn9 h LYS 70 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2kn9 h LYS 70 CO 0.48 0.11 -0.03 1.03 -0.57 0.00 0.00 179.45 180.46 2kn9 h SER 71 N 0.00 0.00 -0.26 0.86 0.87 -1.91 -0.66 113.55 112.45 2kn9 h SER 71 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kn9 h SER 71 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2kn9 h SER 71 CO 0.01 0.03 0.00 0.47 -0.53 0.00 0.00 176.83 176.82 2kn9 n ASP 72 N -3.47 1.76 -4.86 6.23 8.00 -0.19 -4.83 116.55 119.19 2kn9 n ASP 72 Ca -0.02 -1.86 -0.32 0.00 0.71 0.00 0.00 54.79 53.30 2kn9 n ASP 72 Cb 0.14 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.66 3.42 -0.06 1.24 0.40 -0.26 0.29 117.98 121.35 2kn9 s PHE 73 Ca 0.28 0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.86 2kn9 s PHE 73 Cb 0.15 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 2kn9 s PHE 73 CO 0.21 0.58 -0.11 -1.83 0.70 0.00 0.00 175.22 174.78 2kn9 s GLU 74 N -2.21 2.65 -0.61 0.44 -1.05 0.12 -4.86 118.70 113.20 2kn9 s GLU 74 Ca 0.30 -0.62 -0.27 0.00 -0.15 0.00 0.00 54.97 54.22 2kn9 s GLU 74 Cb -0.13 -2.49 0.03 0.00 -0.44 0.00 0.00 34.13 31.10 2kn9 s GLU 74 CO 0.22 0.63 1.17 1.41 0.95 0.00 0.00 175.26 179.64 2kn9 s MET 75 N -0.73 3.42 -0.36 -4.83 -2.45 -1.26 -1.30 119.30 111.78 2kn9 s MET 75 Ca 0.11 0.06 -0.10 0.00 -1.25 0.00 0.00 55.69 54.50 2kn9 s MET 75 Cb -0.11 -4.06 0.02 0.00 1.25 0.00 0.00 34.83 31.94 2kn9 s MET 75 CO 0.01 -1.75 0.19 0.08 1.05 0.00 0.00 175.02 174.60 2kn9 s VAL 76 N 4.94 4.50 0.29 10.11 1.01 0.16 -5.02 120.40 136.40 2kn9 s VAL 76 Ca 0.39 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2kn9 s VAL 76 Cb -0.08 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2kn9 s VAL 76 CO 0.22 -0.18 0.56 -1.83 0.00 0.00 0.00 175.10 173.87 2kn9 s GLU 77 N 1.55 3.62 0.33 2.72 -1.05 -1.26 -0.83 118.70 123.78 2kn9 s GLU 77 Ca 0.02 -0.01 -0.29 0.00 -0.15 0.00 0.00 54.97 54.55 2kn9 s GLU 77 Cb -0.19 -2.64 -0.10 0.00 -0.44 0.00 0.00 34.13 30.76 2kn9 s GLU 77 CO 0.06 0.21 1.29 0.14 0.95 0.00 0.00 175.26 177.90 2kn9 s VAL 78 N -2.10 2.78 -0.22 1.83 -7.23 -1.26 -4.92 120.40 109.28 2kn9 s VAL 78 Ca 0.44 0.78 -0.29 0.00 -1.81 0.00 0.00 61.98 61.10 2kn9 s VAL 78 Cb -0.11 -3.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 2kn9 s VAL 78 CO 0.30 0.18 1.76 0.00 -0.31 0.00 0.00 175.10 177.03 2kn9 s ALA 79 N -1.15 3.15 -0.51 1.32 0.00 -1.26 -4.85 121.76 118.46 2kn9 s ALA 79 Ca 0.49 0.54 0.07 0.00 0.00 0.00 0.00 51.96 53.06 2kn9 s ALA 79 Cb -0.39 -3.91 0.45 0.00 0.00 0.00 0.00 23.12 19.27 2kn9 s ALA 79 CO 0.51 -2.16 1.27 0.54 0.00 0.00 0.00 175.76 175.92 2kn9 n ARG 80 N 7.95 2.92 0.00 0.00 1.74 -1.26 -5.14 116.66 122.88 2kn9 n ARG 80 Ca 0.21 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 2kn9 n ARG 80 Cb 0.45 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2kn9 n ARG 80 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54