#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 0.07 -0.34 -5.12 0.00 -1.26 -5.12 121.76 110.00 2kn9 s ALA 2 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2kn9 s ALA 2 Cb 0.00 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.27 2kn9 s ALA 2 CO 0.00 -0.09 0.06 -1.01 0.00 0.00 0.00 175.76 174.73 2kn9 s HIS 3 N -0.79 3.42 -0.10 0.00 0.09 -1.26 -5.09 115.29 111.57 2kn9 s HIS 3 Ca -0.09 -2.18 -0.27 0.00 -0.00 0.00 0.00 55.06 52.52 2kn9 s HIS 3 Cb -0.05 -2.54 -0.02 0.00 -0.00 0.00 0.00 32.58 29.97 2kn9 s HIS 3 CO -0.01 -0.87 0.88 -1.01 -0.00 0.00 0.00 174.74 173.73 2kn9 s HIS 4 N 1.17 3.52 -0.46 1.40 3.76 -1.26 -5.00 115.29 118.43 2kn9 s HIS 4 Ca 0.01 1.43 -0.26 0.00 -0.15 0.00 0.00 55.06 56.09 2kn9 s HIS 4 Cb -0.21 -3.04 0.03 0.00 1.11 0.00 0.00 32.58 30.47 2kn9 s HIS 4 CO -0.03 -0.13 0.96 -1.01 -0.85 0.00 0.00 174.74 173.68 2kn9 s HIS 5 N 1.62 2.91 -0.71 1.40 0.09 -1.26 -4.98 115.29 114.36 2kn9 s HIS 5 Ca 0.44 0.44 -0.19 0.00 -0.00 0.00 0.00 55.06 55.75 2kn9 s HIS 5 Cb -0.18 -4.04 0.12 0.00 -0.00 0.00 0.00 32.58 28.48 2kn9 s HIS 5 CO 0.18 -1.12 0.84 -1.01 -0.00 0.00 0.00 174.74 173.62 2kn9 s HIS 6 N 3.86 3.09 -0.30 1.40 3.76 -1.26 -5.00 115.29 120.83 2kn9 s HIS 6 Ca 0.39 -1.14 -0.03 0.00 -0.15 0.00 0.00 55.06 54.13 2kn9 s HIS 6 Cb -0.10 -4.08 0.04 0.00 1.11 0.00 0.00 32.58 29.55 2kn9 s HIS 6 CO 0.27 -1.34 0.01 -1.58 -0.85 0.00 0.00 174.74 171.25 2kn9 s HIS 7 N 2.52 3.23 -0.02 1.40 2.46 -1.26 -5.08 115.29 118.54 2kn9 s HIS 7 Ca 0.18 -1.73 -0.25 0.00 0.47 0.00 0.00 55.06 53.73 2kn9 s HIS 7 Cb -0.17 -2.13 -0.04 0.00 -0.13 0.00 0.00 32.58 30.11 2kn9 s HIS 7 CO 0.01 -0.77 0.76 -1.01 -2.47 0.00 0.00 174.74 171.25 2kn9 s HIS 8 N 1.29 3.64 0.08 3.88 3.76 -1.26 -4.96 115.29 121.73 2kn9 s HIS 8 Ca -0.04 1.38 0.15 0.00 -0.15 0.00 0.00 55.06 56.40 2kn9 s HIS 8 Cb -0.19 -2.85 0.32 0.00 1.11 0.00 0.00 32.58 30.97 2kn9 s HIS 8 CO -0.01 0.14 1.56 1.98 -0.85 0.00 0.00 174.74 177.57 2kn9 h MET 9 N 6.37 0.00 0.00 1.40 4.05 -2.05 -3.49 114.93 121.21 2kn9 h MET 9 Ca -0.42 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 2kn9 h MET 9 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2kn9 h MET 9 CO 0.74 0.54 0.00 0.41 0.23 0.00 0.00 176.91 178.83 2kn9 n GLY 10 N 0.69 -2.89 2.83 1.39 0.00 -1.26 -5.04 105.19 100.91 2kn9 n GLY 10 Ca 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 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 0.06 0.82 2.61 2.01 -1.26 -5.15 115.64 113.83 2kn9 s THR 11 Ca 0.00 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 2kn9 s THR 11 Cb 0.00 -0.12 0.09 0.00 0.01 0.00 0.00 72.50 72.48 2kn9 s THR 11 CO 0.00 0.07 1.18 -0.76 -0.69 0.00 0.00 174.62 174.43 2kn9 s LEU 12 N 0.58 2.56 -0.52 4.42 1.43 -1.26 -4.97 118.68 120.93 2kn9 s LEU 12 Ca -0.05 0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 53.45 2kn9 s LEU 12 Cb -0.08 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.02 2kn9 s LEU 12 CO -0.01 -1.99 1.54 -0.70 0.23 0.00 0.00 176.35 175.42 2kn9 s GLU 13 N -5.59 3.22 0.52 1.70 -6.30 -1.26 -4.86 118.70 106.13 2kn9 s GLU 13 Ca 0.63 0.67 0.26 0.00 -2.50 0.00 0.00 54.97 54.03 2kn9 s GLU 13 Cb -0.10 -4.17 1.42 0.00 0.00 0.00 0.00 34.13 31.28 2kn9 s GLU 13 CO 0.49 -2.02 2.08 0.00 0.02 0.00 0.00 175.26 175.83 2kn9 h ALA 14 N 11.94 1.37 0.00 6.30 0.00 -2.06 -3.33 119.26 133.48 2kn9 h ALA 14 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kn9 h ALA 14 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kn9 h ALA 14 CO 1.15 0.15 -0.77 1.04 0.00 0.00 0.00 179.25 180.82 2kn9 n GLN 15 N -3.77 0.41 -3.26 0.00 1.13 -1.26 -5.02 117.38 105.60 2kn9 n GLN 15 Ca -0.02 0.16 -0.15 0.00 -1.94 0.00 0.00 57.00 55.05 2kn9 n GLN 15 Cb 0.22 -1.21 0.08 0.00 0.11 0.00 0.00 30.24 29.44 2kn9 n GLN 15 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2kn9 n THR 16 N -4.06 -5.02 -2.74 5.09 -1.04 -1.25 -4.95 114.28 100.31 2kn9 n THR 16 Ca -0.11 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.05 61.08 2kn9 n THR 16 Cb 0.40 -4.60 -0.03 0.00 -1.82 0.00 0.00 70.33 64.28 2kn9 n THR 16 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2kn9 s GLN 17 N -5.26 3.92 0.00 -2.82 -1.52 -1.26 -5.02 119.66 107.70 2kn9 s GLN 17 Ca 0.04 0.76 0.00 0.00 -1.95 0.00 0.00 55.36 54.21 2kn9 s GLN 17 Cb -0.02 -3.78 0.00 0.00 -0.22 0.00 0.00 33.01 28.99 2kn9 s GLN 17 CO 0.64 -0.95 0.00 0.41 -0.25 0.00 0.00 175.29 175.14 2kn9 n GLY 18 N 4.22 1.25 3.79 3.09 0.00 -1.26 -5.04 105.19 111.24 2kn9 n GLY 18 Ca 0.09 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 2kn9 n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kn9 s PRO 19 N 1.75 4.35 -0.55 1.61 0.02 -1.26 -5.00 135.00 135.92 2kn9 s PRO 19 Ca 0.00 1.33 0.06 0.00 0.02 0.00 0.00 61.00 62.41 2kn9 s PRO 19 Cb 0.00 -2.55 0.34 0.00 0.02 0.00 0.00 34.50 32.31 2kn9 s PRO 19 CO 0.00 0.06 0.92 0.41 -0.33 0.00 0.00 177.00 178.06 2kn9 n GLY 20 N 0.18 5.35 3.67 0.52 0.00 -1.26 -5.08 105.19 108.57 2kn9 n GLY 20 Ca 0.04 -2.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.00 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 -3.34 6.58 0.29 1.61 0.01 -1.26 -4.87 113.70 112.72 2kn9 s SER 21 Ca 0.48 2.47 0.23 0.00 1.31 0.00 0.00 55.95 60.44 2kn9 s SER 21 Cb 0.29 -2.55 0.22 0.00 0.21 0.00 0.00 66.02 64.20 2kn9 s SER 21 CO -0.13 -0.95 1.34 -0.03 0.41 0.00 0.00 173.24 173.88 2kn9 h MET 22 N 9.24 0.00 -7.12 12.44 4.05 -2.01 -3.47 114.93 128.06 2kn9 h MET 22 Ca -0.43 0.00 -0.49 0.00 -0.28 0.00 0.00 59.70 58.49 2kn9 h MET 22 Cb 1.20 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 32.03 2kn9 h MET 22 CO 0.94 0.00 0.28 -0.80 0.23 0.00 0.00 176.91 177.56 2kn9 s ASN 23 N -5.50 6.40 -0.94 1.39 -0.87 -1.26 -4.97 114.94 109.18 2kn9 s ASN 23 Ca 0.04 1.30 -0.24 0.00 -1.57 0.00 0.00 52.86 52.39 2kn9 s ASN 23 Cb 0.08 -2.40 0.04 0.00 -0.02 0.00 0.00 41.25 38.95 2kn9 s ASN 23 CO 0.72 -0.64 1.45 -0.62 -2.57 0.00 0.00 177.10 175.44 2kn9 s ASP 24 N -3.65 6.33 0.22 -1.22 -1.08 -1.26 -4.94 116.67 111.06 2kn9 s ASP 24 Ca 0.54 -1.15 0.06 0.00 -0.52 0.00 0.00 52.55 51.48 2kn9 s ASP 24 Cb -0.10 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2kn9 s ASP 24 CO 0.41 -1.67 -0.09 -0.31 0.52 0.00 0.00 175.17 174.04 2kn9 s TYR 25 N 5.51 1.68 0.17 -5.34 2.02 -1.26 -5.06 117.35 115.07 2kn9 s TYR 25 Ca 0.45 -0.70 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 2kn9 s TYR 25 Cb -0.02 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 2kn9 s TYR 25 CO -0.03 0.23 0.02 0.15 -1.57 0.00 0.00 175.55 174.34 2kn9 s LYS 26 N -3.72 2.48 -0.33 -0.62 -0.14 -1.26 -4.10 119.74 112.05 2kn9 s LYS 26 Ca 0.24 -1.08 -0.05 0.00 -1.36 0.00 0.00 55.97 53.72 2kn9 s LYS 26 Cb 0.02 -2.40 0.04 0.00 -1.68 0.00 0.00 37.83 33.82 2kn9 s LYS 26 CO 0.08 0.46 0.08 -0.51 -0.76 0.00 0.00 175.35 174.69 2kn9 s LEU 27 N -2.98 4.22 -0.36 3.17 1.02 0.69 -1.41 118.68 123.02 2kn9 s LEU 27 Ca 0.28 -1.17 -0.19 0.00 0.02 0.00 0.00 54.13 53.07 2kn9 s LEU 27 Cb -0.09 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.29 2kn9 s LEU 27 CO 0.19 -0.31 0.58 -0.36 0.02 0.00 0.00 176.35 176.48 2kn9 s PHE 28 N 1.37 3.15 -0.14 0.29 0.40 0.14 0.07 117.98 123.27 2kn9 s PHE 28 Ca -0.03 0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 56.46 2kn9 s PHE 28 Cb -0.20 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 2kn9 s PHE 28 CO 0.02 -0.62 0.10 0.50 0.70 0.00 0.00 175.22 175.92 2kn9 s ARG 29 N 2.58 3.57 -0.10 0.44 3.52 -0.13 -0.12 118.95 128.71 2kn9 s ARG 29 Ca 0.22 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.30 2kn9 s ARG 29 Cb -0.15 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 2kn9 s ARG 29 CO 0.15 0.61 1.21 0.00 -0.81 0.00 0.00 175.30 176.45 2kn9 n ILE 31 N 4.87 0.58 0.61 0.00 -5.35 0.11 -0.28 119.36 119.91 2kn9 n ILE 31 Ca 0.12 -0.05 0.13 0.00 -0.27 0.00 0.00 62.75 62.67 2kn9 n ILE 31 Cb 0.46 -0.76 0.34 0.00 -1.74 0.00 0.00 39.64 37.95 2kn9 n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kn9 n GLN 32 N -2.05 0.27 0.08 6.28 1.13 -1.26 -4.71 117.38 117.12 2kn9 n GLN 32 Ca 0.05 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 2kn9 n GLN 32 Cb 0.34 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.91 2kn9 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kn9 n GLY 34 N -0.12 0.15 3.64 0.00 0.00 0.62 -5.03 105.19 104.46 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 -0.76 1.89 -0.21 1.61 5.36 -1.25 -4.68 117.98 119.94 2kn9 s PHE 35 Ca 0.00 0.34 -0.14 0.00 -0.96 0.00 0.00 56.93 56.17 2kn9 s PHE 35 Cb 0.00 -3.98 -0.04 0.00 -0.34 0.00 0.00 43.02 38.66 2kn9 s PHE 35 CO 0.00 -3.58 0.32 -1.21 -1.46 0.00 0.00 175.22 169.28 2kn9 s GLU 36 N 4.63 4.15 -0.30 10.12 2.02 -1.26 -0.30 118.70 137.76 2kn9 s GLU 36 Ca 0.77 0.05 -0.06 0.00 0.02 0.00 0.00 54.97 55.75 2kn9 s GLU 36 Cb -0.30 -3.53 0.02 0.00 0.10 0.00 0.00 34.13 30.42 2kn9 s GLU 36 CO 0.31 0.01 0.06 -0.47 0.02 0.00 0.00 175.26 175.19 2kn9 s TYR 37 N 1.18 3.16 -0.22 1.61 5.04 0.83 -4.94 117.35 124.00 2kn9 s TYR 37 Ca 0.15 -1.16 -0.17 0.00 -2.44 0.00 0.00 57.07 53.45 2kn9 s TYR 37 Cb -0.14 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 2kn9 s TYR 37 CO 0.07 -0.63 0.48 0.34 -1.34 0.00 0.00 175.55 174.47 2kn9 s ASP 38 N 1.45 6.47 0.56 4.32 -1.08 -1.26 0.28 116.67 127.41 2kn9 s ASP 38 Ca 0.01 0.56 0.27 0.00 -0.52 0.00 0.00 52.55 52.88 2kn9 s ASP 38 Cb -0.18 -2.27 1.63 0.00 -1.46 0.00 0.00 42.92 40.65 2kn9 s ASP 38 CO 0.01 -0.19 2.18 -0.33 0.52 0.00 0.00 175.17 177.36 2kn9 h GLU 39 N 7.66 0.00 -0.01 4.34 5.08 -1.53 0.19 114.58 130.31 2kn9 h GLU 39 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2kn9 h GLU 39 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kn9 h GLU 39 CO 0.72 0.05 -0.08 0.00 -1.00 0.00 0.00 179.01 178.69 2kn9 n ALA 40 N -2.34 2.74 -0.04 3.43 0.00 -1.26 -0.68 120.51 122.36 2kn9 n ALA 40 Ca -0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 53.44 52.99 2kn9 n ALA 40 Cb 0.14 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.45 2.57 0.00 0.00 7.94 -0.44 -4.48 117.00 122.14 2kn9 n LEU 41 Ca 0.17 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2kn9 n LEU 41 Cb 0.30 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2kn9 n LEU 41 CO 0.21 0.57 0.00 0.61 -1.11 0.00 0.00 177.39 177.66 2kn9 n GLY 42 N 2.96 -0.87 2.69 -3.96 0.00 0.53 -3.52 105.19 103.02 2kn9 n GLY 42 Ca -0.16 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.55 -0.23 1.61 -0.11 0.92 -4.69 118.94 115.89 2kn9 s TRP 43 Ca 0.00 -1.08 0.25 0.00 1.22 0.00 0.00 56.10 56.49 2kn9 s TRP 43 Cb 0.00 -0.20 1.20 0.00 -1.50 0.00 0.00 33.47 32.98 2kn9 s TRP 43 CO 0.00 -1.07 1.77 -1.35 -4.62 0.00 0.00 176.95 171.67 2kn9 h PRO 44 N 5.77 0.00 -0.58 5.86 0.11 -1.83 0.26 132.00 141.59 2kn9 h PRO 44 Ca 0.12 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.31 2kn9 h PRO 44 Cb 1.04 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 2kn9 h PRO 44 CO 0.16 0.00 0.24 1.49 -0.21 0.00 0.00 178.00 179.68 2kn9 h GLU 45 N 0.00 0.43 0.00 1.05 4.81 -1.95 -2.89 114.58 116.04 2kn9 h GLU 45 Ca 0.00 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2kn9 h GLU 45 Cb 0.21 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2kn9 h GLU 45 CO 0.00 0.28 -1.64 -3.47 -0.73 0.00 0.00 179.01 173.46 2kn9 n ASP 46 N -4.96 0.45 0.00 1.04 2.03 -0.78 -4.97 116.55 109.36 2kn9 n ASP 46 Ca 0.08 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2kn9 n ASP 46 Cb 0.23 0.98 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 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 1.34 1.14 3.59 0.27 0.00 -0.56 -5.07 105.19 105.89 2kn9 n GLY 47 Ca -0.08 0.00 -0.42 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 -2.00 3.45 0.34 -0.61 -1.09 -0.03 -4.84 121.20 116.43 2kn9 s ILE 48 Ca 0.00 0.45 -0.25 0.00 -2.23 0.00 0.00 60.65 58.61 2kn9 s ILE 48 Cb 0.00 -3.65 -0.10 0.00 -1.58 0.00 0.00 42.46 37.14 2kn9 s ILE 48 CO 0.00 -0.44 0.97 0.00 -1.23 0.00 0.00 174.94 174.24 2kn9 s ALA 49 N 7.14 3.18 0.08 9.38 0.00 -1.26 -0.06 121.76 140.23 2kn9 s ALA 49 Ca 0.79 0.56 -0.34 0.00 0.00 0.00 0.00 51.96 52.97 2kn9 s ALA 49 Cb -0.22 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 2kn9 s ALA 49 CO 0.33 0.10 1.67 0.00 0.00 0.00 0.00 175.76 177.86 2kn9 n ALA 50 N 0.38 1.20 0.00 0.00 0.00 -1.23 -1.13 120.51 119.73 2kn9 n ALA 50 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2kn9 n ALA 50 Cb 0.50 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 3.72 1.37 3.67 0.00 0.00 0.14 -4.94 105.19 109.16 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 -2.20 3.76 0.56 2.61 2.01 -0.29 -4.99 115.64 117.10 2kn9 s THR 52 Ca 0.00 1.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.90 2kn9 s THR 52 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2kn9 s THR 52 CO 0.00 -0.06 0.97 -0.13 -0.69 0.00 0.00 174.62 174.72 2kn9 s ARG 53 N 3.28 3.70 0.58 4.92 1.81 -1.26 -4.76 118.95 127.22 2kn9 s ARG 53 Ca 0.66 0.73 0.27 0.00 -1.72 0.00 0.00 55.73 55.67 2kn9 s ARG 53 Cb -0.30 -2.15 1.73 0.00 -0.45 0.00 0.00 34.95 33.78 2kn9 s ARG 53 CO 0.25 -0.41 2.24 2.35 -0.68 0.00 0.00 175.30 179.05 2kn9 h TRP 54 N 0.18 0.00 0.00 -0.53 2.91 -1.94 0.11 115.95 116.68 2kn9 h TRP 54 Ca -0.45 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.51 2kn9 h TRP 54 Cb 1.19 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 2kn9 h TRP 54 CO 0.64 0.00 -0.29 -0.44 -1.03 0.00 0.00 178.44 177.32 2kn9 h ASP 55 N 0.00 0.00 0.15 2.65 3.32 -2.01 -2.56 116.42 117.97 2kn9 h ASP 55 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kn9 h ASP 55 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2kn9 h ASP 55 CO -0.00 0.29 -0.13 0.47 -1.72 0.00 0.00 179.24 178.15 2kn9 n ASP 56 N -3.65 1.08 -4.48 6.45 8.00 0.37 -4.79 116.55 119.53 2kn9 n ASP 56 Ca -0.01 -1.08 -0.37 0.00 0.71 0.00 0.00 54.79 54.04 2kn9 n ASP 56 Cb 0.41 0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.44 2kn9 n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kn9 s ILE 57 N -2.29 4.56 0.51 0.53 1.01 -0.97 -4.94 121.20 119.61 2kn9 s ILE 57 Ca 0.31 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.66 2kn9 s ILE 57 Cb 0.20 -3.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.44 2kn9 s ILE 57 CO 0.44 0.30 1.04 -2.16 0.00 0.00 0.00 174.94 174.56 2kn9 s PRO 58 N 1.65 3.73 0.00 2.79 0.04 -1.26 -4.92 135.00 137.02 2kn9 s PRO 58 Ca 0.06 1.31 0.16 0.00 0.04 0.00 0.00 61.00 62.57 2kn9 s PRO 58 Cb -0.15 -2.09 0.96 0.00 0.04 0.00 0.00 34.50 33.25 2kn9 s PRO 58 CO 0.05 -0.48 1.37 -0.25 0.04 0.00 0.00 177.00 177.73 2kn9 n ASP 59 N -1.17 0.00 0.23 6.66 9.92 -1.26 -1.27 116.55 129.65 2kn9 n ASP 59 Ca 0.09 -0.50 0.15 0.00 -0.53 0.00 0.00 54.79 54.00 2kn9 n ASP 59 Cb 0.53 -0.00 0.50 0.00 -0.64 0.00 0.00 41.12 41.51 2kn9 n ASP 59 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2kn9 h ASP 60 N 0.00 0.00 -3.49 -2.24 5.19 -2.03 -3.43 116.42 110.42 2kn9 h ASP 60 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 2kn9 h ASP 60 Cb 0.00 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 2kn9 h ASP 60 CO 0.00 0.00 0.71 0.86 -3.12 0.00 0.00 179.24 177.69 2kn9 s TRP 61 N -3.46 3.05 0.20 4.55 -0.00 -0.40 -5.03 118.94 117.85 2kn9 s TRP 61 Ca 0.04 0.84 -0.03 0.00 -0.00 0.00 0.00 56.10 56.95 2kn9 s TRP 61 Cb 0.08 -3.80 -0.05 0.00 -0.00 0.00 0.00 33.47 29.71 2kn9 s TRP 61 CO 0.56 -0.89 0.43 -1.54 -0.00 0.00 0.00 176.95 175.51 2kn9 s SER 62 N 1.94 6.44 -0.03 5.86 1.04 -1.26 -4.12 113.70 123.56 2kn9 s SER 62 Ca 0.41 0.56 -0.34 0.00 0.48 0.00 0.00 55.95 57.06 2kn9 s SER 62 Cb -0.11 -2.08 -0.12 0.00 0.10 0.00 0.00 66.02 63.81 2kn9 s SER 62 CO 0.20 -0.05 1.82 0.00 0.98 0.00 0.00 173.24 176.19 2kn9 n PRO 64 N 5.98 0.34 -0.07 0.00 -0.02 -1.26 -0.08 135.00 139.88 2kn9 n PRO 64 Ca 0.21 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.56 2kn9 n PRO 64 Cb 0.30 -1.29 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 2kn9 n PRO 64 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kn9 n ASP 65 N -0.79 1.53 -0.00 2.55 2.03 -1.26 -4.85 116.55 115.77 2kn9 n ASP 65 Ca 0.05 0.26 0.03 0.00 0.52 0.00 0.00 54.79 55.64 2kn9 n ASP 65 Cb 0.02 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 39.78 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 1.62 0.80 3.77 0.00 0.00 0.89 -4.98 105.19 107.28 2kn9 n GLY 67 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.12 3.21 0.99 4.61 0.00 -1.26 -4.35 121.76 121.85 2kn9 s ALA 68 Ca 0.00 1.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 2kn9 s ALA 68 Cb 0.00 -3.47 0.21 0.00 0.00 0.00 0.00 23.12 19.86 2kn9 s ALA 68 CO 0.00 -0.78 1.29 0.00 0.00 0.00 0.00 175.76 176.27 2kn9 s ALA 69 N -1.30 2.03 0.56 0.00 0.00 -1.26 0.18 121.76 121.96 2kn9 s ALA 69 Ca 0.58 -1.16 0.24 0.00 0.00 0.00 0.00 51.96 51.62 2kn9 s ALA 69 Cb -0.36 -2.79 1.55 0.00 0.00 0.00 0.00 23.12 21.51 2kn9 s ALA 69 CO 0.46 -2.58 2.16 0.87 0.00 0.00 0.00 175.76 176.67 2kn9 h LYS 70 N -1.76 0.00 -0.00 0.00 1.57 -1.82 -0.80 116.57 113.76 2kn9 h LYS 70 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2kn9 h LYS 70 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 2kn9 h LYS 70 CO 0.38 0.00 0.03 0.77 -0.57 0.00 0.00 179.45 180.05 2kn9 h SER 71 N 0.00 0.00 -0.54 0.86 0.02 -1.95 -0.71 113.55 111.24 2kn9 h SER 71 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kn9 h SER 71 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2kn9 h SER 71 CO -0.00 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.16 2kn9 n ASP 72 N -3.21 5.36 -4.75 3.07 8.00 -0.31 -4.93 116.55 119.78 2kn9 n ASP 72 Ca -0.03 -2.89 -0.32 0.00 0.71 0.00 0.00 54.79 52.25 2kn9 n ASP 72 Cb 0.10 -0.65 -0.07 0.00 -0.02 0.00 0.00 41.12 40.47 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 -2.67 3.22 -0.00 1.24 0.40 -0.28 0.10 117.98 119.99 2kn9 s PHE 73 Ca 0.52 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 57.05 2kn9 s PHE 73 Cb 0.40 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 2kn9 s PHE 73 CO 0.16 0.52 -0.11 -1.83 0.70 0.00 0.00 175.22 174.66 2kn9 s GLU 74 N -1.78 2.43 -0.58 0.44 -1.05 0.11 -4.89 118.70 113.38 2kn9 s GLU 74 Ca 0.23 -0.77 -0.23 0.00 -0.15 0.00 0.00 54.97 54.05 2kn9 s GLU 74 Cb -0.12 -2.40 0.05 0.00 -0.44 0.00 0.00 34.13 31.22 2kn9 s GLU 74 CO 0.14 0.59 0.89 1.41 0.95 0.00 0.00 175.26 179.24 2kn9 s MET 75 N -1.25 3.22 -0.41 -4.83 -2.45 -1.26 -0.95 119.30 111.36 2kn9 s MET 75 Ca 0.15 -0.57 -0.19 0.00 -1.25 0.00 0.00 55.69 53.83 2kn9 s MET 75 Cb -0.11 -4.12 0.02 0.00 1.25 0.00 0.00 34.83 31.87 2kn9 s MET 75 CO 0.05 -1.55 0.55 0.08 1.05 0.00 0.00 175.02 175.21 2kn9 s VAL 76 N 3.74 4.95 0.46 10.11 1.01 0.11 -4.95 120.40 135.83 2kn9 s VAL 76 Ca 0.25 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2kn9 s VAL 76 Cb -0.15 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 2kn9 s VAL 76 CO 0.15 -0.46 1.00 -1.83 0.00 0.00 0.00 175.10 173.95 2kn9 s GLU 77 N 2.52 4.01 0.36 2.72 -1.05 -1.26 -0.22 118.70 125.77 2kn9 s GLU 77 Ca 0.18 1.26 -0.27 0.00 -0.15 0.00 0.00 54.97 56.00 2kn9 s GLU 77 Cb -0.15 -2.16 -0.09 0.00 -0.44 0.00 0.00 34.13 31.29 2kn9 s GLU 77 CO 0.16 -0.24 1.24 0.14 0.95 0.00 0.00 175.26 177.51 2kn9 s VAL 78 N -2.05 2.90 -0.51 1.83 -7.23 -1.26 -4.90 120.40 109.19 2kn9 s VAL 78 Ca 0.64 0.84 -0.05 0.00 -1.81 0.00 0.00 61.98 61.61 2kn9 s VAL 78 Cb -0.13 -3.51 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 2kn9 s VAL 78 CO 0.17 0.15 2.93 0.00 -0.31 0.00 0.00 175.10 178.04 2kn9 n ALA 79 N 0.47 6.53 -2.39 1.32 0.00 -1.26 -4.91 120.51 120.27 2kn9 n ALA 79 Ca 0.02 -2.92 -0.40 0.00 0.00 0.00 0.00 53.44 50.14 2kn9 n ALA 79 Cb 0.44 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 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 -0.87 3.05 0.00 0.00 1.81 -1.26 -5.23 118.95 116.45 2kn9 s ARG 80 Ca 0.61 -0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.52 2kn9 s ARG 80 Cb 0.34 -4.38 0.00 0.00 -0.45 0.00 0.00 34.95 30.46 2kn9 s ARG 80 CO -0.15 -2.36 0.21 0.45 -0.68 0.00 0.00 175.30 172.77