#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kn9 n ALA 2 N 0.00 1.14 -3.28 3.17 0.00 -1.26 -4.86 120.51 115.43 2kn9 n ALA 2 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 53.44 52.70 2kn9 n ALA 2 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 19.45 16.33 2kn9 n ALA 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2kn9 s HIS 3 N 10.73 -1.10 -0.35 0.00 5.65 -1.26 -5.09 115.29 123.87 2kn9 s HIS 3 Ca 1.00 -0.11 0.05 0.00 0.25 0.00 0.00 55.06 56.25 2kn9 s HIS 3 Cb -0.26 -0.02 0.17 0.00 -1.18 0.00 0.00 32.58 31.29 2kn9 s HIS 3 CO 0.30 -1.07 0.51 -1.01 -0.65 0.00 0.00 174.74 172.82 2kn9 s HIS 4 N 1.82 -1.26 0.38 3.88 4.02 -1.26 -5.16 115.29 117.71 2kn9 s HIS 4 Ca 0.15 0.19 0.08 0.00 1.02 0.00 0.00 55.06 56.50 2kn9 s HIS 4 Cb -0.10 0.04 -0.07 0.00 -1.02 0.00 0.00 32.58 31.43 2kn9 s HIS 4 CO -0.09 -1.07 -0.01 -1.01 1.02 0.00 0.00 174.74 173.58 2kn9 s HIS 5 N 2.11 2.50 0.19 1.40 3.76 -1.26 -5.13 115.29 118.86 2kn9 s HIS 5 Ca 0.13 -0.56 -0.22 0.00 -0.15 0.00 0.00 55.06 54.27 2kn9 s HIS 5 Cb -0.10 -1.61 -0.08 0.00 1.11 0.00 0.00 32.58 31.90 2kn9 s HIS 5 CO -0.16 0.47 0.73 -1.01 -0.85 0.00 0.00 174.74 173.92 2kn9 s HIS 6 N -2.63 3.76 0.54 1.40 0.09 -1.26 -5.08 115.29 112.11 2kn9 s HIS 6 Ca 0.35 1.47 0.03 0.00 -0.00 0.00 0.00 55.06 56.91 2kn9 s HIS 6 Cb 0.05 -2.66 0.04 0.00 -0.00 0.00 0.00 32.58 30.01 2kn9 s HIS 6 CO 0.18 0.43 0.75 -1.01 -0.00 0.00 0.00 174.74 175.09 2kn9 s HIS 7 N -1.34 2.65 -0.21 1.40 3.76 -1.26 -5.10 115.29 115.19 2kn9 s HIS 7 Ca 0.39 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.13 2kn9 s HIS 7 Cb -0.19 -2.66 0.05 0.00 1.11 0.00 0.00 32.58 30.89 2kn9 s HIS 7 CO 0.23 -0.86 -0.07 -1.01 -0.85 0.00 0.00 174.74 172.18 2kn9 s HIS 8 N -2.69 2.32 -0.03 1.40 3.76 -1.26 -5.00 115.29 113.78 2kn9 s HIS 8 Ca 0.58 -1.62 0.01 0.00 -0.15 0.00 0.00 55.06 53.88 2kn9 s HIS 8 Cb -0.10 -1.57 -0.26 0.00 1.11 0.00 0.00 32.58 31.77 2kn9 s HIS 8 CO 0.38 -0.74 0.71 1.98 -0.85 0.00 0.00 174.74 176.21 2kn9 h MET 9 N 7.98 0.18 0.00 1.40 -1.53 -2.07 -3.49 114.93 117.39 2kn9 h MET 9 Ca -0.22 -0.30 0.00 0.00 -3.44 0.00 0.00 59.70 55.74 2kn9 h MET 9 Cb 1.09 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 32.25 2kn9 h MET 9 CO 0.43 0.97 0.00 0.41 0.14 0.00 0.00 176.91 178.86 2kn9 n GLY 10 N 1.70 1.63 3.65 1.39 0.00 -1.26 -4.92 105.19 107.37 2kn9 n GLY 10 Ca -0.19 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 0.05 2.61 -1.32 -1.26 -5.19 115.64 110.54 2kn9 s THR 11 Ca 0.00 -1.32 -0.02 0.00 -1.21 0.00 0.00 61.69 59.14 2kn9 s THR 11 Cb 0.00 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 2kn9 s THR 11 CO 0.00 0.00 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.64 2kn9 s LEU 12 N -3.05 2.38 -0.43 9.08 1.43 -1.26 -5.12 118.68 121.71 2kn9 s LEU 12 Ca 0.21 -0.95 -0.21 0.00 -1.03 0.00 0.00 54.13 52.15 2kn9 s LEU 12 Cb -0.02 0.27 0.02 0.00 0.03 0.00 0.00 46.19 46.49 2kn9 s LEU 12 CO 0.11 -0.60 0.65 -0.70 0.23 0.00 0.00 176.35 176.04 2kn9 s GLU 13 N -3.83 3.34 0.09 1.70 -6.30 -1.26 -4.92 118.70 107.52 2kn9 s GLU 13 Ca 0.06 -0.30 0.23 0.00 -2.50 0.00 0.00 54.97 52.46 2kn9 s GLU 13 Cb 0.07 -3.93 0.02 0.00 0.00 0.00 0.00 34.13 30.29 2kn9 s GLU 13 CO -0.10 -0.98 1.00 0.00 0.02 0.00 0.00 175.26 175.20 2kn9 n ALA 14 N 6.26 3.06 0.04 6.30 0.00 -1.26 -4.59 120.51 130.31 2kn9 n ALA 14 Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.05 2kn9 n ALA 14 Cb 0.48 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 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 0.00 -0.14 -5.13 0.00 4.20 -2.08 -3.49 115.11 108.48 2kn9 h GLN 15 Ca 0.00 0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 2kn9 h GLN 15 Cb 0.83 0.03 0.16 0.00 0.30 0.00 0.00 27.48 28.81 2kn9 h GLN 15 CO 0.00 -0.09 -0.71 2.41 -0.67 0.00 0.00 178.83 179.77 2kn9 n THR 16 N -3.49 -8.20 -1.94 -0.54 -1.04 -1.26 -4.87 114.28 92.94 2kn9 n THR 16 Ca -0.02 -1.13 -0.29 0.00 -2.04 0.00 0.00 64.05 60.57 2kn9 n THR 16 Cb 0.06 -6.11 -0.05 0.00 -1.82 0.00 0.00 70.33 62.41 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 -4.14 2.41 -0.31 -2.82 0.74 -1.26 -4.79 119.66 109.49 2kn9 s GLN 17 Ca 0.38 0.22 -0.02 0.00 0.05 0.00 0.00 55.36 55.98 2kn9 s GLN 17 Cb -0.05 -4.79 0.19 0.00 1.10 0.00 0.00 33.01 29.46 2kn9 s GLN 17 CO 0.64 -3.32 0.82 0.20 -0.55 0.00 0.00 175.29 173.09 2kn9 s GLY 18 N 8.76 -1.16 0.90 2.59 0.00 -1.26 -5.17 107.32 111.99 2kn9 s GLY 18 Ca 0.74 1.42 -0.11 0.00 0.00 0.00 0.00 44.72 46.77 2kn9 s GLY 18 CO 0.09 3.92 1.09 -4.14 0.00 0.00 0.00 173.10 174.06 2kn9 s PRO 19 N 2.69 1.19 -1.49 2.90 0.02 -1.26 -4.90 135.00 134.15 2kn9 s PRO 19 Ca 0.18 0.89 -0.09 0.00 0.02 0.00 0.00 61.00 62.00 2kn9 s PRO 19 Cb -0.05 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.59 2kn9 s PRO 19 CO -0.22 -2.31 2.98 0.41 -0.33 0.00 0.00 177.00 177.54 2kn9 n GLY 20 N -0.95 4.22 3.58 0.52 0.00 -1.26 -4.85 105.19 106.46 2kn9 n GLY 20 Ca 0.07 -1.51 -0.41 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 2.04 6.54 -0.19 1.61 0.01 -1.26 -4.67 113.70 117.78 2kn9 s SER 21 Ca 0.69 -2.30 -0.24 0.00 1.31 0.00 0.00 55.95 55.41 2kn9 s SER 21 Cb 0.19 -2.58 -0.21 0.00 0.21 0.00 0.00 66.02 63.63 2kn9 s SER 21 CO -0.06 -1.49 0.37 -0.03 0.41 0.00 0.00 173.24 172.44 2kn9 h MET 22 N 7.97 0.00 -6.64 12.44 4.05 -1.97 -3.47 114.93 127.31 2kn9 h MET 22 Ca 0.41 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 59.32 2kn9 h MET 22 Cb 0.88 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 2kn9 h MET 22 CO 1.42 1.00 -0.03 1.21 0.23 0.00 0.00 176.91 180.75 2kn9 s ASN 23 N -6.67 6.50 -0.74 1.39 3.84 -1.26 -4.99 114.94 113.00 2kn9 s ASN 23 Ca -0.26 0.92 -0.26 0.00 0.21 0.00 0.00 52.86 53.47 2kn9 s ASN 23 Cb 0.03 -2.23 -0.00 0.00 -0.55 0.00 0.00 41.25 38.50 2kn9 s ASN 23 CO 0.62 -0.27 1.66 1.51 -2.79 0.00 0.00 177.10 177.82 2kn9 s ASP 24 N -3.08 5.65 0.29 -4.21 -4.77 -1.26 -4.94 116.67 104.36 2kn9 s ASP 24 Ca 0.47 -0.26 0.05 0.00 -3.30 0.00 0.00 52.55 49.51 2kn9 s ASP 24 Cb -0.11 -2.55 -0.06 0.00 -1.09 0.00 0.00 42.92 39.12 2kn9 s ASP 24 CO 0.29 -2.18 0.00 -0.31 0.70 0.00 0.00 175.17 173.68 2kn9 s TYR 25 N 7.79 1.90 0.04 2.11 1.51 -1.26 -5.07 117.35 124.36 2kn9 s TYR 25 Ca 0.56 -0.85 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 2kn9 s TYR 25 Cb -0.09 -1.17 -0.06 0.00 -0.11 0.00 0.00 41.96 40.53 2kn9 s TYR 25 CO 0.12 0.11 0.47 0.15 -1.11 0.00 0.00 175.55 175.29 2kn9 s LYS 26 N -3.82 4.01 -0.38 -0.62 1.02 -1.26 -4.54 119.74 114.15 2kn9 s LYS 26 Ca 0.32 0.52 -0.08 0.00 0.02 0.00 0.00 55.97 56.75 2kn9 s LYS 26 Cb 0.06 -3.20 0.06 0.00 -0.52 0.00 0.00 37.83 34.23 2kn9 s LYS 26 CO 0.13 0.66 0.18 -0.51 -0.92 0.00 0.00 175.35 174.89 2kn9 s LEU 27 N -1.17 4.76 -0.35 3.17 1.02 0.01 -1.41 118.68 124.71 2kn9 s LEU 27 Ca 0.27 -1.35 -0.19 0.00 0.02 0.00 0.00 54.13 52.88 2kn9 s LEU 27 Cb -0.17 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.11 2kn9 s LEU 27 CO 0.16 -0.43 0.59 -0.36 0.02 0.00 0.00 176.35 176.32 2kn9 s PHE 28 N 1.40 3.16 -0.21 0.29 0.40 0.17 -0.68 117.98 122.51 2kn9 s PHE 28 Ca 0.01 0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 56.53 2kn9 s PHE 28 Cb -0.21 -3.05 -0.05 0.00 0.51 0.00 0.00 43.02 40.22 2kn9 s PHE 28 CO 0.02 -0.59 0.12 0.50 0.70 0.00 0.00 175.22 175.96 2kn9 s ARG 29 N 2.58 4.05 0.01 0.44 3.52 -0.25 0.28 118.95 129.58 2kn9 s ARG 29 Ca 0.22 -0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 2kn9 s ARG 29 Cb -0.15 -3.39 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 2kn9 s ARG 29 CO 0.14 0.18 1.61 0.00 -0.81 0.00 0.00 175.30 176.42 2kn9 n ILE 31 N 5.02 0.40 0.79 0.00 -5.35 0.56 -0.49 119.36 120.29 2kn9 n ILE 31 Ca 0.16 -0.11 0.13 0.00 -0.27 0.00 0.00 62.75 62.65 2kn9 n ILE 31 Cb 0.42 -0.61 0.37 0.00 -1.74 0.00 0.00 39.64 38.08 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 -1.92 0.15 0.06 6.28 1.13 -1.26 -4.70 117.38 117.11 2kn9 n GLN 32 Ca 0.06 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2kn9 n GLN 32 Cb 0.37 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.09 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 -0.33 -0.33 3.60 0.00 0.00 0.36 -5.04 105.19 103.44 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 -0.56 1.41 -0.27 1.61 5.36 -1.25 -4.64 117.98 119.64 2kn9 s PHE 35 Ca 0.00 0.59 -0.17 0.00 -0.96 0.00 0.00 56.93 56.40 2kn9 s PHE 35 Cb 0.00 -4.00 -0.03 0.00 -0.34 0.00 0.00 43.02 38.65 2kn9 s PHE 35 CO 0.00 -3.62 0.46 -1.21 -1.46 0.00 0.00 175.22 169.40 2kn9 s GLU 36 N 6.13 4.02 -0.35 10.12 2.02 -1.26 0.02 118.70 139.41 2kn9 s GLU 36 Ca 0.93 0.18 -0.11 0.00 0.02 0.00 0.00 54.97 55.98 2kn9 s GLU 36 Cb -0.29 -3.67 0.00 0.00 0.10 0.00 0.00 34.13 30.28 2kn9 s GLU 36 CO 0.34 -0.35 0.21 -0.47 0.02 0.00 0.00 175.26 175.02 2kn9 s TYR 37 N 2.23 3.21 -0.20 1.61 5.04 0.14 -4.92 117.35 124.46 2kn9 s TYR 37 Ca 0.19 -0.57 -0.19 0.00 -2.44 0.00 0.00 57.07 54.06 2kn9 s TYR 37 Cb -0.16 -2.44 -0.03 0.00 0.35 0.00 0.00 41.96 39.69 2kn9 s TYR 37 CO 0.10 -0.49 0.55 0.34 -1.34 0.00 0.00 175.55 174.71 2kn9 s ASP 38 N 1.64 6.59 0.45 4.32 -1.08 -1.26 0.41 116.67 127.73 2kn9 s ASP 38 Ca 0.04 0.71 0.13 0.00 -0.52 0.00 0.00 52.55 52.91 2kn9 s ASP 38 Cb -0.18 -2.31 1.03 0.00 -1.46 0.00 0.00 42.92 40.01 2kn9 s ASP 38 CO 0.08 -0.21 2.04 -0.33 0.52 0.00 0.00 175.17 177.26 2kn9 h GLU 39 N 7.49 0.36 0.00 4.34 5.08 -1.53 0.32 114.58 130.65 2kn9 h GLU 39 Ca -0.33 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2kn9 h GLU 39 Cb 1.15 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kn9 h GLU 39 CO 0.75 0.24 -0.07 0.00 -1.00 0.00 0.00 179.01 178.92 2kn9 h ALA 40 N 1.76 0.96 0.05 3.43 0.00 -1.89 0.50 119.26 124.07 2kn9 h ALA 40 Ca 0.19 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 2kn9 h ALA 40 Cb 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2kn9 h ALA 40 CO -0.04 0.09 -1.64 -0.11 0.00 0.00 0.00 179.25 177.54 2kn9 n LEU 41 N -3.13 2.20 0.00 0.00 0.00 -0.53 -4.10 117.00 111.45 2kn9 n LEU 41 Ca 0.03 0.32 0.00 0.00 0.00 0.00 0.00 56.01 56.36 2kn9 n LEU 41 Cb 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 43.42 42.93 2kn9 n LEU 41 CO 0.34 0.54 0.00 0.61 0.00 0.00 0.00 177.39 178.88 2kn9 n GLY 42 N 1.67 -0.97 2.97 -3.96 0.00 0.10 -4.16 105.19 100.85 2kn9 n GLY 42 Ca -0.33 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.52 0.25 1.61 -0.11 0.76 -4.71 118.94 115.22 2kn9 s TRP 43 Ca 0.00 -0.23 0.34 0.00 1.22 0.00 0.00 56.10 57.43 2kn9 s TRP 43 Cb 0.00 0.24 1.52 0.00 -1.50 0.00 0.00 33.47 33.72 2kn9 s TRP 43 CO 0.00 -1.20 2.05 -1.35 -4.62 0.00 0.00 176.95 171.83 2kn9 h PRO 44 N 6.13 0.00 -0.86 5.86 0.11 -1.86 0.12 132.00 141.50 2kn9 h PRO 44 Ca 0.06 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.21 2kn9 h PRO 44 Cb 1.14 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2kn9 h PRO 44 CO 0.08 0.04 0.55 0.93 -0.21 0.00 0.00 178.00 179.39 2kn9 h GLU 45 N 0.00 1.01 0.00 1.05 4.39 -1.95 -2.83 114.58 116.25 2kn9 h GLU 45 Ca -0.00 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 2kn9 h GLU 45 Cb 0.43 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2kn9 h GLU 45 CO 0.01 0.67 -1.62 -3.47 -1.16 0.00 0.00 179.01 173.44 2kn9 n ASP 46 N -4.57 0.44 0.00 1.42 2.03 -0.95 -4.97 116.55 109.95 2kn9 n ASP 46 Ca 0.11 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2kn9 n ASP 46 Cb 0.11 1.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.55 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 1.32 1.40 3.57 0.27 0.00 -0.62 -5.08 105.19 106.04 2kn9 n GLY 47 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 4.25 0.39 -0.61 -1.09 0.32 -4.91 121.20 117.55 2kn9 s ILE 48 Ca 0.00 0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 58.95 2kn9 s ILE 48 Cb 0.00 -4.59 -0.09 0.00 -1.58 0.00 0.00 42.46 36.20 2kn9 s ILE 48 CO 0.00 -1.10 1.09 0.00 -1.23 0.00 0.00 174.94 173.70 2kn9 s ALA 49 N 4.33 3.14 0.03 9.38 0.00 -1.26 -0.17 121.76 137.21 2kn9 s ALA 49 Ca 0.40 0.81 -0.33 0.00 0.00 0.00 0.00 51.96 52.84 2kn9 s ALA 49 Cb -0.09 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 2kn9 s ALA 49 CO 0.26 -0.32 1.84 0.00 0.00 0.00 0.00 175.76 177.54 2kn9 n ALA 50 N 0.12 1.45 0.00 0.00 0.00 -1.26 -1.24 120.51 119.57 2kn9 n ALA 50 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2kn9 n ALA 50 Cb 0.48 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 4.23 1.25 3.66 0.00 0.00 0.17 -4.96 105.19 109.53 2kn9 n GLY 51 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2kn9 n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kn9 n THR 52 N -1.20 0.74 -1.67 2.61 -1.04 -0.38 -4.89 114.28 108.46 2kn9 n THR 52 Ca 0.00 -0.16 -0.34 0.00 -2.04 0.00 0.00 64.05 61.51 2kn9 n THR 52 Cb 0.00 -2.32 0.06 0.00 -1.82 0.00 0.00 70.33 66.25 2kn9 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2kn9 s ARG 53 N 4.58 2.56 0.45 -2.82 1.81 -1.26 -4.75 118.95 119.51 2kn9 s ARG 53 Ca 0.90 1.60 0.10 0.00 -1.72 0.00 0.00 55.73 56.62 2kn9 s ARG 53 Cb -0.44 -1.90 0.99 0.00 -0.45 0.00 0.00 34.95 33.15 2kn9 s ARG 53 CO 0.42 -1.47 2.08 2.35 -0.68 0.00 0.00 175.30 177.99 2kn9 h TRP 54 N 0.04 0.31 0.00 -0.53 2.91 -1.94 0.31 115.95 117.06 2kn9 h TRP 54 Ca -0.48 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.54 2kn9 h TRP 54 Cb 1.27 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2kn9 h TRP 54 CO 0.50 0.22 -0.05 -0.44 -1.03 0.00 0.00 178.44 177.65 2kn9 h ASP 55 N 0.33 0.00 0.59 2.65 3.32 -2.01 -3.08 116.42 118.22 2kn9 h ASP 55 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2kn9 h ASP 55 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kn9 h ASP 55 CO -0.02 0.05 -1.00 -0.67 -1.72 0.00 0.00 179.24 175.88 2kn9 n ASP 56 N -3.13 0.63 -4.71 6.45 2.03 0.01 -4.84 116.55 112.99 2kn9 n ASP 56 Ca 0.02 -0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.87 2kn9 n ASP 56 Cb 0.43 0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 41.47 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 -3.24 4.20 0.14 5.18 1.01 -0.69 -4.94 121.20 122.86 2kn9 s ILE 57 Ca 0.03 1.57 -0.33 0.00 0.00 0.00 0.00 60.65 61.92 2kn9 s ILE 57 Cb 0.13 -4.00 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 2kn9 s ILE 57 CO 0.79 0.09 0.89 -0.81 0.00 0.00 0.00 174.94 175.90 2kn9 n PRO 58 N 4.23 0.43 0.25 2.79 -0.04 -1.26 -4.84 135.00 136.56 2kn9 n PRO 58 Ca 0.09 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.84 2kn9 n PRO 58 Cb 0.47 -1.46 0.57 0.00 -0.04 0.00 0.00 33.50 33.04 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 2.31 0.00 0.41 3.54 3.58 -1.94 -0.67 116.42 123.65 2kn9 h ASP 59 Ca -0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2kn9 h ASP 59 Cb 1.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.45 2kn9 h ASP 59 CO 0.63 0.11 -0.11 0.47 -2.88 0.00 0.00 179.24 177.47 2kn9 n ASP 60 N -3.26 0.41 -4.65 2.28 9.92 -1.26 -4.69 116.55 115.29 2kn9 n ASP 60 Ca 0.00 -0.49 -0.42 0.00 -0.53 0.00 0.00 54.79 53.35 2kn9 n ASP 60 Cb 0.36 -0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 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 -2.52 2.04 0.24 1.24 -0.00 -0.26 -4.98 118.94 114.70 2kn9 s TRP 61 Ca 0.28 0.32 0.07 0.00 -0.00 0.00 0.00 56.10 56.76 2kn9 s TRP 61 Cb 0.20 -3.90 -0.04 0.00 -0.00 0.00 0.00 33.47 29.73 2kn9 s TRP 61 CO 0.48 -3.55 0.18 -1.12 -0.00 0.00 0.00 176.95 172.95 2kn9 s SER 62 N 3.51 5.49 -0.03 5.86 0.01 -1.26 -3.38 113.70 123.89 2kn9 s SER 62 Ca 0.72 -0.25 -0.32 0.00 1.31 0.00 0.00 55.95 57.41 2kn9 s SER 62 Cb -0.31 -1.39 -0.10 0.00 0.21 0.00 0.00 66.02 64.43 2kn9 s SER 62 CO 0.29 -0.03 1.95 0.00 0.41 0.00 0.00 173.24 175.86 2kn9 n PRO 64 N 7.24 0.03 -0.07 0.00 -0.02 -1.26 0.63 135.00 141.54 2kn9 n PRO 64 Ca 0.22 0.30 -0.22 0.00 -2.02 0.00 0.00 63.50 61.77 2kn9 n PRO 64 Cb 0.36 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.32 1.97 0.00 2.55 2.03 -1.26 -4.76 116.55 115.76 2kn9 n ASP 65 Ca 0.01 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2kn9 n ASP 65 Cb 0.02 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 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 0.47 3.72 0.00 0.00 0.20 -4.97 105.19 104.80 2kn9 n GLY 67 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.98 3.30 1.06 4.61 0.00 -1.26 -4.53 121.76 122.97 2kn9 s ALA 68 Ca 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.54 2kn9 s ALA 68 Cb 0.00 -3.36 0.22 0.00 0.00 0.00 0.00 23.12 19.99 2kn9 s ALA 68 CO 0.00 -0.23 1.08 0.00 0.00 0.00 0.00 175.76 176.61 2kn9 s ALA 69 N 0.40 0.57 0.55 0.00 0.00 -1.26 0.68 121.76 122.69 2kn9 s ALA 69 Ca 0.52 -0.41 0.25 0.00 0.00 0.00 0.00 51.96 52.32 2kn9 s ALA 69 Cb -0.26 -3.11 1.45 0.00 0.00 0.00 0.00 23.12 21.20 2kn9 s ALA 69 CO 0.31 -3.17 2.03 0.87 0.00 0.00 0.00 175.76 175.80 2kn9 h LYS 70 N -2.15 0.00 -0.05 0.00 1.57 -1.83 -0.93 116.57 113.18 2kn9 h LYS 70 Ca -0.56 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.24 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 0.00 0.04 0.66 -0.57 0.00 0.00 179.45 180.13 2kn9 h SER 71 N 0.00 0.00 -0.46 0.86 4.64 -1.92 -0.76 113.55 115.91 2kn9 h SER 71 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2kn9 h SER 71 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2kn9 h SER 71 CO -0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2kn9 n ASP 72 N -4.07 3.46 -4.90 4.97 9.92 -0.35 -4.85 116.55 120.72 2kn9 n ASP 72 Ca -0.02 -2.30 -0.33 0.00 -0.53 0.00 0.00 54.79 51.61 2kn9 n ASP 72 Cb 0.14 -0.48 -0.05 0.00 -0.64 0.00 0.00 41.12 40.09 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 -1.74 3.53 -0.06 1.24 0.40 -0.29 -0.33 117.98 120.73 2kn9 s PHE 73 Ca 0.36 0.32 0.02 0.00 -0.60 0.00 0.00 56.93 57.03 2kn9 s PHE 73 Cb 0.23 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 2kn9 s PHE 73 CO 0.17 0.63 -0.11 -1.83 0.70 0.00 0.00 175.22 174.78 2kn9 s GLU 74 N -2.08 2.62 -0.60 0.44 -1.05 0.67 -4.84 118.70 113.88 2kn9 s GLU 74 Ca 0.29 -0.63 -0.27 0.00 -0.15 0.00 0.00 54.97 54.21 2kn9 s GLU 74 Cb -0.13 -2.48 0.03 0.00 -0.44 0.00 0.00 34.13 31.12 2kn9 s GLU 74 CO 0.21 0.64 1.13 1.41 0.95 0.00 0.00 175.26 179.60 2kn9 s MET 75 N -0.76 3.41 -0.33 -4.83 -2.45 -1.26 -1.09 119.30 112.00 2kn9 s MET 75 Ca 0.12 0.02 -0.03 0.00 -1.25 0.00 0.00 55.69 54.54 2kn9 s MET 75 Cb -0.11 -4.05 0.06 0.00 1.25 0.00 0.00 34.83 31.98 2kn9 s MET 75 CO 0.01 -1.70 0.06 0.08 1.05 0.00 0.00 175.02 174.52 2kn9 s VAL 76 N 4.77 3.21 -0.53 10.11 1.01 0.14 -4.98 120.40 134.13 2kn9 s VAL 76 Ca 0.38 -1.45 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 2kn9 s VAL 76 Cb -0.09 -2.90 0.09 0.00 0.00 0.00 0.00 36.38 33.47 2kn9 s VAL 76 CO 0.22 -0.22 0.57 -1.61 0.00 0.00 0.00 175.10 174.06 2kn9 s GLU 77 N 1.27 3.05 0.45 2.72 2.02 -1.26 -0.81 118.70 126.14 2kn9 s GLU 77 Ca -0.02 -1.25 -0.23 0.00 0.02 0.00 0.00 54.97 53.49 2kn9 s GLU 77 Cb -0.20 -4.19 -0.08 0.00 0.10 0.00 0.00 34.13 29.77 2kn9 s GLU 77 CO -0.01 -1.28 1.16 0.14 0.02 0.00 0.00 175.26 175.29 2kn9 s VAL 78 N 2.25 3.16 -0.38 2.63 -7.23 -1.26 -5.02 120.40 114.55 2kn9 s VAL 78 Ca 0.10 0.87 0.03 0.00 -1.81 0.00 0.00 61.98 61.17 2kn9 s VAL 78 Cb -0.23 -3.44 0.11 0.00 0.56 0.00 0.00 36.38 33.37 2kn9 s VAL 78 CO 0.08 -0.01 0.12 0.00 -0.31 0.00 0.00 175.10 174.98 2kn9 s ALA 79 N -1.55 2.62 -1.60 1.32 0.00 -1.26 -4.93 121.76 116.36 2kn9 s ALA 79 Ca 0.63 -2.51 0.14 0.00 0.00 0.00 0.00 51.96 50.22 2kn9 s ALA 79 Cb -0.28 -1.93 0.47 0.00 0.00 0.00 0.00 23.12 21.38 2kn9 s ALA 79 CO 0.34 -1.79 1.36 0.54 0.00 0.00 0.00 175.76 176.21 2kn9 n ARG 80 N 4.08 2.55 0.00 0.00 1.74 -1.26 -5.30 116.66 118.48 2kn9 n ARG 80 Ca 0.03 -1.88 0.10 0.00 -0.77 0.00 0.00 57.85 55.34 2kn9 n ARG 80 Cb 0.39 -1.56 0.61 0.00 -1.02 0.00 0.00 32.46 30.88 2kn9 n ARG 80 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54