#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 3.29 -0.30 3.04 0.00 -1.26 -5.03 121.76 121.50 2kn9 s ALA 2 Ca 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 2kn9 s ALA 2 Cb 0.00 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 20.03 2kn9 s ALA 2 CO 0.00 0.04 0.14 -3.38 0.00 0.00 0.00 175.76 172.55 2kn9 s HIS 3 N -0.21 0.52 -1.04 0.00 -3.43 -1.26 -5.07 115.29 104.80 2kn9 s HIS 3 Ca 0.44 -1.07 -0.13 0.00 -0.80 0.00 0.00 55.06 53.50 2kn9 s HIS 3 Cb -0.23 -0.99 0.22 0.00 -1.43 0.00 0.00 32.58 30.15 2kn9 s HIS 3 CO 0.29 -0.83 1.10 -1.01 -2.00 0.00 0.00 174.74 172.28 2kn9 s HIS 4 N 1.90 3.83 -0.26 0.38 3.76 -1.26 -5.01 115.29 118.64 2kn9 s HIS 4 Ca 0.10 -2.23 -0.14 0.00 -0.15 0.00 0.00 55.06 52.65 2kn9 s HIS 4 Cb -0.17 -3.99 -0.04 0.00 1.11 0.00 0.00 32.58 29.48 2kn9 s HIS 4 CO -0.31 -1.13 0.31 -1.58 -0.85 0.00 0.00 174.74 171.19 2kn9 s HIS 5 N 0.22 3.27 0.52 1.40 5.04 -1.26 -5.08 115.29 119.39 2kn9 s HIS 5 Ca 0.30 0.35 -0.02 0.00 -1.54 0.00 0.00 55.06 54.15 2kn9 s HIS 5 Cb -0.08 -2.48 0.00 0.00 0.04 0.00 0.00 32.58 30.06 2kn9 s HIS 5 CO -0.07 -0.14 0.78 -1.01 -2.34 0.00 0.00 174.74 171.96 2kn9 s HIS 6 N 1.76 3.22 -0.17 3.88 3.76 -1.26 -5.11 115.29 121.38 2kn9 s HIS 6 Ca 0.13 0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 55.37 2kn9 s HIS 6 Cb -0.15 -2.52 0.07 0.00 1.11 0.00 0.00 32.58 31.08 2kn9 s HIS 6 CO 0.09 -0.59 0.39 -3.38 -0.85 0.00 0.00 174.74 170.40 2kn9 s HIS 7 N -2.76 -0.61 -0.23 1.40 -3.43 -1.26 -5.14 115.29 103.26 2kn9 s HIS 7 Ca 0.51 1.28 -0.06 0.00 -0.80 0.00 0.00 55.06 55.99 2kn9 s HIS 7 Cb -0.10 0.23 -0.02 0.00 -1.43 0.00 0.00 32.58 31.26 2kn9 s HIS 7 CO 0.41 -0.37 0.03 -1.01 -2.00 0.00 0.00 174.74 171.80 2kn9 s HIS 8 N 1.76 3.05 -0.01 0.38 3.76 -1.26 -4.97 115.29 118.01 2kn9 s HIS 8 Ca -0.07 -0.53 0.10 0.00 -0.15 0.00 0.00 55.06 54.41 2kn9 s HIS 8 Cb -0.10 -2.16 -0.23 0.00 1.11 0.00 0.00 32.58 31.20 2kn9 s HIS 8 CO -0.12 -0.36 0.80 0.52 -0.85 0.00 0.00 174.74 174.73 2kn9 h MET 9 N 7.98 0.02 0.00 1.40 2.86 -2.08 -3.51 114.93 121.61 2kn9 h MET 9 Ca -0.38 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.24 2kn9 h MET 9 Cb 1.17 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2kn9 h MET 9 CO 0.59 0.67 -0.04 0.41 1.06 0.00 0.00 176.91 179.60 2kn9 n GLY 10 N 1.53 -2.15 3.49 8.32 0.00 -1.26 -4.98 105.19 110.14 2kn9 n GLY 10 Ca -0.14 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.78 -0.95 -0.13 2.61 -1.32 -1.26 -5.13 115.64 108.69 2kn9 s THR 11 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 2kn9 s THR 11 Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 2kn9 s THR 11 CO 0.00 0.00 0.04 -0.76 -2.21 0.00 0.00 174.62 171.69 2kn9 s LEU 12 N 2.86 0.64 0.01 9.08 1.43 -1.26 -5.13 118.68 126.30 2kn9 s LEU 12 Ca 0.01 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 2kn9 s LEU 12 Cb -0.12 -0.39 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 2kn9 s LEU 12 CO -0.19 -0.28 0.71 -1.83 0.23 0.00 0.00 176.35 174.99 2kn9 s GLU 13 N 2.01 4.43 0.00 1.70 -1.05 -1.26 -4.93 118.70 119.61 2kn9 s GLU 13 Ca 0.02 0.94 0.26 0.00 -0.15 0.00 0.00 54.97 56.04 2kn9 s GLU 13 Cb -0.15 -3.37 0.69 0.00 -0.44 0.00 0.00 34.13 30.86 2kn9 s GLU 13 CO -0.07 0.26 1.53 0.00 0.95 0.00 0.00 175.26 177.93 2kn9 n ALA 14 N 2.98 3.23 -0.56 -0.84 0.00 -1.26 -4.51 120.51 119.56 2kn9 n ALA 14 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2kn9 n ALA 14 Cb 0.51 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.01 0.00 -3.75 0.00 3.00 -1.26 -4.94 117.38 109.42 2kn9 n GLN 15 Ca 0.10 0.22 -0.33 0.00 -0.01 0.00 0.00 57.00 56.98 2kn9 n GLN 15 Cb 0.34 -1.09 0.03 0.00 0.00 0.00 0.00 30.24 29.52 2kn9 n GLN 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2kn9 n THR 16 N -1.17 -5.15 -2.15 5.09 -1.04 -1.26 -4.85 114.28 103.75 2kn9 n THR 16 Ca 0.00 -0.75 -0.41 0.00 -2.04 0.00 0.00 64.05 60.85 2kn9 n THR 16 Cb 0.00 -3.89 -0.02 0.00 -1.82 0.00 0.00 70.33 64.59 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 -6.04 4.37 -0.01 -2.82 -1.52 -1.26 -5.03 119.66 107.35 2kn9 s GLN 17 Ca 0.41 2.16 -0.15 0.00 -1.95 0.00 0.00 55.36 55.84 2kn9 s GLN 17 Cb -0.17 -3.11 0.02 0.00 -0.22 0.00 0.00 33.01 29.53 2kn9 s GLN 17 CO 0.88 -0.20 0.31 0.20 -0.25 0.00 0.00 175.29 176.23 2kn9 s GLY 18 N -0.23 -0.15 0.00 3.09 0.00 -1.26 -5.13 107.32 103.65 2kn9 s GLY 18 Ca 0.52 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.54 2kn9 s GLY 18 CO 0.48 0.09 0.06 -1.05 0.00 0.00 0.00 173.10 172.68 2kn9 n PRO 19 N 1.24 0.00 0.00 2.90 -0.02 -1.26 -4.99 135.00 132.87 2kn9 n PRO 19 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2kn9 n PRO 19 Cb 0.56 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 33.55 2kn9 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kn9 n GLY 20 N 2.16 2.43 3.57 -1.23 0.00 -1.26 -4.58 105.19 106.28 2kn9 n GLY 20 Ca 0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.00 6.09 -0.01 1.61 0.15 -1.26 -4.59 113.70 111.69 2kn9 s SER 21 Ca 0.00 -1.74 -0.07 0.00 0.70 0.00 0.00 55.95 54.83 2kn9 s SER 21 Cb 0.00 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2kn9 s SER 21 CO 0.00 -1.92 -0.14 0.80 1.20 0.00 0.00 173.24 173.18 2kn9 n MET 22 N 8.57 0.21 -1.86 5.44 0.00 -1.26 -4.87 117.12 123.35 2kn9 n MET 22 Ca 0.43 0.08 0.00 0.00 0.00 0.00 0.00 57.70 58.21 2kn9 n MET 22 Cb 0.48 -0.87 0.00 0.00 0.00 0.00 0.00 33.22 32.83 2kn9 n MET 22 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2kn9 n ASN 23 N -3.87 0.98 -3.01 6.12 3.02 -1.26 -5.02 115.26 112.23 2kn9 n ASN 23 Ca -0.06 -0.93 -0.26 0.00 -0.03 0.00 0.00 54.58 53.30 2kn9 n ASN 23 Cb 0.22 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.35 2kn9 n ASN 23 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kn9 n ASP 24 N -1.88 6.23 -4.30 6.41 8.00 -1.26 -4.83 116.55 124.91 2kn9 n ASP 24 Ca 0.00 -2.40 -0.18 0.00 0.71 0.00 0.00 54.79 52.92 2kn9 n ASP 24 Cb 0.00 -1.27 -0.10 0.00 -0.02 0.00 0.00 41.12 39.72 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 2.53 1.59 0.18 1.24 2.02 -1.26 -5.08 117.35 118.57 2kn9 s TYR 25 Ca 0.54 -0.58 0.04 0.00 -0.37 0.00 0.00 57.07 56.70 2kn9 s TYR 25 Cb 0.16 -0.77 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 2kn9 s TYR 25 CO -0.04 0.26 0.24 0.15 -1.57 0.00 0.00 175.55 174.60 2kn9 s LYS 26 N -3.31 3.22 -0.01 -0.62 -0.14 -1.26 -4.08 119.74 113.54 2kn9 s LYS 26 Ca 0.17 -0.76 0.02 0.00 -1.36 0.00 0.00 55.97 54.04 2kn9 s LYS 26 Cb -0.02 -2.81 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 2kn9 s LYS 26 CO 0.05 0.48 -0.05 -0.51 -0.76 0.00 0.00 175.35 174.56 2kn9 s LEU 27 N -3.40 3.28 -0.19 3.17 1.02 0.20 -1.34 118.68 121.42 2kn9 s LEU 27 Ca 0.33 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.41 2kn9 s LEU 27 Cb -0.10 -1.84 0.04 0.00 0.02 0.00 0.00 46.19 44.30 2kn9 s LEU 27 CO 0.27 0.30 -0.11 -0.36 0.02 0.00 0.00 176.35 176.46 2kn9 s PHE 28 N -0.98 2.35 -0.21 0.29 0.40 0.14 0.47 117.98 120.43 2kn9 s PHE 28 Ca 0.17 -1.49 -0.06 0.00 -0.60 0.00 0.00 56.93 54.94 2kn9 s PHE 28 Cb -0.11 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 2kn9 s PHE 28 CO 0.07 -0.72 0.04 0.50 0.70 0.00 0.00 175.22 175.80 2kn9 s ARG 29 N 1.42 3.71 0.08 0.44 3.52 -0.24 -0.25 118.95 127.63 2kn9 s ARG 29 Ca 0.00 -0.47 -0.31 0.00 -0.13 0.00 0.00 55.73 54.83 2kn9 s ARG 29 Cb -0.15 -3.19 -0.08 0.00 -1.56 0.00 0.00 34.95 29.97 2kn9 s ARG 29 CO -0.09 0.00 1.52 0.00 -0.81 0.00 0.00 175.30 175.93 2kn9 n ILE 31 N 4.44 0.15 0.24 0.00 -5.35 0.12 -0.65 119.36 118.30 2kn9 n ILE 31 Ca 0.14 -0.08 0.14 0.00 -0.27 0.00 0.00 62.75 62.68 2kn9 n ILE 31 Cb 0.41 -0.40 0.36 0.00 -1.74 0.00 0.00 39.64 38.28 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 0.00 0.00 6.28 1.08 -1.91 -3.43 115.11 117.14 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 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 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 0.01 -0.06 3.64 0.00 0.00 0.18 -5.04 105.19 103.92 2kn9 n GLY 34 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.54 1.63 -0.36 1.61 5.36 -1.25 -4.68 117.98 119.74 2kn9 s PHE 35 Ca 0.00 0.14 -0.13 0.00 -0.96 0.00 0.00 56.93 55.97 2kn9 s PHE 35 Cb 0.00 -4.05 -0.00 0.00 -0.34 0.00 0.00 43.02 38.63 2kn9 s PHE 35 CO 0.00 -4.22 0.25 -1.21 -1.46 0.00 0.00 175.22 168.58 2kn9 s GLU 36 N 4.79 3.26 -0.24 10.12 2.02 -1.26 -0.31 118.70 137.08 2kn9 s GLU 36 Ca 0.83 -0.80 -0.11 0.00 0.02 0.00 0.00 54.97 54.91 2kn9 s GLU 36 Cb -0.34 -3.84 -0.05 0.00 0.10 0.00 0.00 34.13 30.00 2kn9 s GLU 36 CO 0.34 -0.56 0.16 -0.47 0.02 0.00 0.00 175.26 174.76 2kn9 s TYR 37 N 1.69 3.32 -0.14 1.61 5.04 0.66 -4.92 117.35 124.61 2kn9 s TYR 37 Ca 0.05 0.24 -0.16 0.00 -2.44 0.00 0.00 57.07 54.76 2kn9 s TYR 37 Cb -0.18 -2.27 -0.04 0.00 0.35 0.00 0.00 41.96 39.82 2kn9 s TYR 37 CO 0.10 0.08 0.39 -0.51 -1.34 0.00 0.00 175.55 174.27 2kn9 s ASP 38 N 1.02 6.56 0.57 4.32 1.11 -1.26 0.25 116.67 129.23 2kn9 s ASP 38 Ca 0.08 0.66 0.32 0.00 0.18 0.00 0.00 52.55 53.78 2kn9 s ASP 38 Cb -0.13 -2.24 1.73 0.00 1.07 0.00 0.00 42.92 43.35 2kn9 s ASP 38 CO 0.04 0.03 2.18 -0.33 1.18 0.00 0.00 175.17 178.27 2kn9 h GLU 39 N 6.77 0.00 -0.00 8.23 5.08 -1.49 -0.87 114.58 132.30 2kn9 h GLU 39 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 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 0.75 0.05 -0.22 0.00 -1.00 0.00 0.00 179.01 178.60 2kn9 n ALA 40 N -2.25 2.92 -0.10 3.43 0.00 -1.26 -0.42 120.51 122.84 2kn9 n ALA 40 Ca -0.02 -0.26 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 2kn9 n ALA 40 Cb 0.17 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.25 1.67 0.00 0.00 -0.00 -0.60 -4.32 117.00 112.51 2kn9 n LEU 41 Ca 0.09 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 2kn9 n LEU 41 Cb 0.32 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 2kn9 n LEU 41 CO 0.28 0.49 0.00 0.61 -0.00 0.00 0.00 177.39 178.77 2kn9 n GLY 42 N 1.83 -1.56 2.75 -3.96 0.00 -0.43 -3.66 105.19 100.16 2kn9 n GLY 42 Ca -0.40 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 -3.75 0.27 1.61 -0.00 0.70 -4.81 117.44 111.45 2kn9 n TRP 43 Ca 0.00 -1.43 0.15 0.00 -0.00 0.00 0.00 57.50 56.22 2kn9 n TRP 43 Cb 0.00 1.48 0.86 0.00 -0.00 0.00 0.00 31.31 33.64 2kn9 n TRP 43 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 2kn9 h PRO 44 N 4.91 0.00 -0.90 5.87 0.11 -1.72 0.23 132.00 140.49 2kn9 h PRO 44 Ca 0.04 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.30 2kn9 h PRO 44 Cb 1.10 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 2kn9 h PRO 44 CO 0.05 0.00 0.58 0.93 -0.21 0.00 0.00 178.00 179.35 2kn9 h GLU 45 N 0.00 0.69 0.00 1.05 3.07 -1.95 -2.15 114.58 115.28 2kn9 h GLU 45 Ca 0.03 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 2kn9 h GLU 45 Cb 0.14 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2kn9 h GLU 45 CO -0.00 0.46 -1.93 -3.47 -1.40 0.00 0.00 179.01 172.66 2kn9 n ASP 46 N -4.57 0.15 0.00 1.42 2.03 -0.29 -4.97 116.55 110.32 2kn9 n ASP 46 Ca 0.18 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2kn9 n ASP 46 Cb 0.46 1.49 0.00 0.00 -0.72 0.00 0.00 41.12 42.35 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 1.37 1.05 3.68 0.27 0.00 -0.49 -5.10 105.19 105.97 2kn9 n GLY 47 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 4.17 0.19 -0.61 -1.09 -0.09 -4.84 121.20 116.93 2kn9 s ILE 48 Ca 0.00 1.48 -0.04 0.00 -2.23 0.00 0.00 60.65 59.86 2kn9 s ILE 48 Cb 0.00 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 2kn9 s ILE 48 CO 0.00 -0.03 0.43 0.00 -1.23 0.00 0.00 174.94 174.11 2kn9 s ALA 49 N 2.54 3.75 -0.03 9.38 0.00 -1.26 -0.22 121.76 135.93 2kn9 s ALA 49 Ca 0.57 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 2kn9 s ALA 49 Cb -0.25 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 2kn9 s ALA 49 CO 0.21 0.52 1.87 0.00 0.00 0.00 0.00 175.76 178.36 2kn9 s ALA 50 N -1.80 3.50 0.00 0.00 0.00 -1.24 -1.16 121.76 121.06 2kn9 s ALA 50 Ca 0.42 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2kn9 s ALA 50 Cb -0.11 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2kn9 s ALA 50 CO 0.26 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.79 2kn9 n GLY 51 N 4.53 0.64 3.70 0.00 0.00 0.44 -4.94 105.19 109.56 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 -1.59 0.00 0.00 0.00 173.32 171.73 2kn9 s THR 52 N -2.00 4.12 0.58 2.61 2.01 -0.31 -4.97 115.64 117.69 2kn9 s THR 52 Ca 0.00 1.50 -0.08 0.00 0.31 0.00 0.00 61.69 63.42 2kn9 s THR 52 Cb 0.00 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2kn9 s THR 52 CO 0.00 0.07 0.93 -0.13 -0.69 0.00 0.00 174.62 174.80 2kn9 s ARG 53 N 1.53 3.29 0.53 4.92 1.81 -1.26 -4.71 118.95 125.06 2kn9 s ARG 53 Ca 0.58 0.34 0.22 0.00 -1.72 0.00 0.00 55.73 55.14 2kn9 s ARG 53 Cb -0.28 -2.21 1.36 0.00 -0.45 0.00 0.00 34.95 33.38 2kn9 s ARG 53 CO 0.27 -0.57 2.07 2.35 -0.68 0.00 0.00 175.30 178.74 2kn9 h TRP 54 N -0.17 0.00 0.00 -0.53 2.91 -1.95 0.28 115.95 116.49 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 1.22 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.86 2kn9 h TRP 54 CO 0.56 0.00 -0.29 -0.44 -1.03 0.00 0.00 178.44 177.24 2kn9 h ASP 55 N 0.00 0.00 0.44 2.65 3.32 -2.02 -2.86 116.42 117.95 2kn9 h ASP 55 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2kn9 h ASP 55 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2kn9 h ASP 55 CO -0.00 0.29 -0.27 0.47 -1.72 0.00 0.00 179.24 178.01 2kn9 n ASP 56 N -3.37 0.60 -4.67 6.45 8.00 0.07 -4.79 116.55 118.84 2kn9 n ASP 56 Ca 0.01 -0.45 -0.37 0.00 0.71 0.00 0.00 54.79 54.68 2kn9 n ASP 56 Cb 0.50 0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.57 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 -2.71 5.27 0.59 0.53 1.01 -1.08 -4.96 121.20 119.85 2kn9 s ILE 57 Ca 0.20 0.49 -0.20 0.00 0.00 0.00 0.00 60.65 61.14 2kn9 s ILE 57 Cb 0.19 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2kn9 s ILE 57 CO 0.57 0.29 1.31 -2.16 0.00 0.00 0.00 174.94 174.95 2kn9 s PRO 58 N 1.19 2.90 0.22 2.79 0.04 -1.26 -4.90 135.00 135.98 2kn9 s PRO 58 Ca 0.14 2.11 0.22 0.00 0.04 0.00 0.00 61.00 63.52 2kn9 s PRO 58 Cb -0.14 -2.06 0.93 0.00 0.04 0.00 0.00 34.50 33.26 2kn9 s PRO 58 CO 0.06 -1.34 1.68 -3.47 0.04 0.00 0.00 177.00 173.98 2kn9 n ASP 59 N -1.42 0.58 0.17 6.66 2.03 -1.26 -1.15 116.55 122.16 2kn9 n ASP 59 Ca 0.13 0.64 0.13 0.00 0.52 0.00 0.00 54.79 56.21 2kn9 n ASP 59 Cb 0.47 -0.76 0.43 0.00 -0.72 0.00 0.00 41.12 40.54 2kn9 n ASP 59 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kn9 h ASP 60 N 0.00 0.00 -3.06 1.67 5.19 -2.02 -3.39 116.42 114.82 2kn9 h ASP 60 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 2kn9 h ASP 60 Cb 0.36 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.83 2kn9 h ASP 60 CO 0.00 0.00 1.14 0.86 -3.12 0.00 0.00 179.24 178.12 2kn9 s TRP 61 N -3.29 2.19 0.35 4.55 -0.00 -0.30 -4.99 118.94 117.45 2kn9 s TRP 61 Ca 0.06 0.65 0.07 0.00 -0.00 0.00 0.00 56.10 56.88 2kn9 s TRP 61 Cb 0.09 -4.25 -0.01 0.00 -0.00 0.00 0.00 33.47 29.30 2kn9 s TRP 61 CO 0.55 -2.32 0.49 -1.12 -0.00 0.00 0.00 176.95 174.55 2kn9 s SER 62 N 4.71 5.92 -0.20 5.86 0.01 -1.26 -4.00 113.70 124.74 2kn9 s SER 62 Ca 0.68 -0.23 -0.34 0.00 1.31 0.00 0.00 55.95 57.37 2kn9 s SER 62 Cb -0.17 -1.13 -0.11 0.00 0.21 0.00 0.00 66.02 64.82 2kn9 s SER 62 CO 0.33 -0.49 2.00 0.00 0.41 0.00 0.00 173.24 175.49 2kn9 n PRO 64 N 7.24 0.08 0.05 0.00 -0.02 -1.26 -1.31 135.00 139.78 2kn9 n PRO 64 Ca 0.29 0.23 -0.07 0.00 -2.02 0.00 0.00 63.50 61.93 2kn9 n PRO 64 Cb 0.28 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.14 2kn9 n PRO 64 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kn9 h ASP 65 N 0.00 0.00 0.00 2.55 3.58 -1.99 -3.46 116.42 117.09 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 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2kn9 h ASP 65 CO 0.00 0.98 0.00 0.00 -2.88 0.00 0.00 179.24 177.34 2kn9 n GLY 67 N 0.73 0.00 3.78 0.00 0.00 -0.42 -4.90 105.19 104.37 2kn9 n GLY 67 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.58 1.18 4.61 0.00 -1.26 -4.72 121.76 125.14 2kn9 s ALA 68 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 2kn9 s ALA 68 Cb 0.00 -1.71 0.27 0.00 0.00 0.00 0.00 23.12 21.69 2kn9 s ALA 68 CO 0.00 0.61 1.08 0.00 0.00 0.00 0.00 175.76 177.45 2kn9 s ALA 69 N -0.98 0.42 0.51 0.00 0.00 -1.26 0.39 121.76 120.84 2kn9 s ALA 69 Ca 0.15 -0.73 0.17 0.00 0.00 0.00 0.00 51.96 51.55 2kn9 s ALA 69 Cb -0.12 -2.98 1.26 0.00 0.00 0.00 0.00 23.12 21.28 2kn9 s ALA 69 CO 0.04 -3.56 2.13 0.87 0.00 0.00 0.00 175.76 175.24 2kn9 h LYS 70 N -2.53 0.00 0.00 0.00 1.57 -1.76 -0.30 116.57 113.56 2kn9 h LYS 70 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2kn9 h LYS 70 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2kn9 h LYS 70 CO 0.41 0.03 0.00 1.03 -0.57 0.00 0.00 179.45 180.35 2kn9 h SER 71 N 0.00 0.00 -0.20 0.86 0.87 -1.93 -0.66 113.55 112.50 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 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2kn9 h SER 71 CO 0.00 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.77 2kn9 n ASP 72 N -2.66 1.52 -4.84 6.23 9.92 -0.12 -4.85 116.55 121.75 2kn9 n ASP 72 Ca -0.00 -1.77 -0.29 0.00 -0.53 0.00 0.00 54.79 52.19 2kn9 n ASP 72 Cb 0.17 -0.13 -0.05 0.00 -0.64 0.00 0.00 41.12 40.47 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 -1.75 3.31 0.13 1.24 0.40 -0.26 0.11 117.98 121.17 2kn9 s PHE 73 Ca 0.28 0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.80 2kn9 s PHE 73 Cb 0.15 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 2kn9 s PHE 73 CO 0.22 0.54 -0.09 -1.83 0.70 0.00 0.00 175.22 174.76 2kn9 s GLU 74 N -2.66 2.14 -0.35 0.44 -1.05 0.85 -4.86 118.70 113.22 2kn9 s GLU 74 Ca 0.32 -1.08 -0.21 0.00 -0.15 0.00 0.00 54.97 53.85 2kn9 s GLU 74 Cb -0.12 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 2kn9 s GLU 74 CO 0.25 0.49 0.65 1.41 0.95 0.00 0.00 175.26 179.01 2kn9 s MET 75 N -2.41 3.72 -0.20 -4.83 -2.45 -1.26 -1.08 119.30 110.79 2kn9 s MET 75 Ca 0.23 0.12 -0.00 0.00 -1.25 0.00 0.00 55.69 54.79 2kn9 s MET 75 Cb -0.10 -3.80 0.02 0.00 1.25 0.00 0.00 34.83 32.20 2kn9 s MET 75 CO 0.15 -0.72 -0.14 0.08 1.05 0.00 0.00 175.02 175.43 2kn9 s VAL 76 N 2.73 2.46 0.44 10.11 1.01 0.18 -4.99 120.40 132.33 2kn9 s VAL 76 Ca 0.25 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2kn9 s VAL 76 Cb -0.14 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2kn9 s VAL 76 CO 0.14 0.44 0.61 -1.83 0.00 0.00 0.00 175.10 174.47 2kn9 s GLU 77 N 1.33 2.87 0.76 2.72 -1.05 -1.26 0.59 118.70 124.66 2kn9 s GLU 77 Ca 0.04 -0.93 -0.09 0.00 -0.15 0.00 0.00 54.97 53.84 2kn9 s GLU 77 Cb -0.14 -2.67 0.09 0.00 -0.44 0.00 0.00 34.13 30.96 2kn9 s GLU 77 CO -0.09 -0.30 1.10 0.14 0.95 0.00 0.00 175.26 177.05 2kn9 s VAL 78 N -2.45 2.16 -0.73 1.83 -7.23 -1.26 -4.89 120.40 107.83 2kn9 s VAL 78 Ca 0.52 -0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 60.32 2kn9 s VAL 78 Cb -0.10 -2.98 0.12 0.00 0.56 0.00 0.00 36.38 33.98 2kn9 s VAL 78 CO 0.35 0.00 0.89 0.00 -0.31 0.00 0.00 175.10 176.03 2kn9 s ALA 79 N -3.41 3.40 -0.24 1.32 0.00 -1.26 -5.01 121.76 116.55 2kn9 s ALA 79 Ca 0.63 -2.40 -0.24 0.00 0.00 0.00 0.00 51.96 49.94 2kn9 s ALA 79 Cb -0.10 -3.75 -0.01 0.00 0.00 0.00 0.00 23.12 19.27 2kn9 s ALA 79 CO 0.47 -2.62 0.82 0.50 0.00 0.00 0.00 175.76 174.93 2kn9 s ARG 80 N 2.76 4.18 0.00 0.00 6.06 -1.26 -4.99 118.95 125.70 2kn9 s ARG 80 Ca 0.20 0.93 0.00 0.00 -2.50 0.00 0.00 55.73 54.37 2kn9 s ARG 80 Cb -0.16 -3.64 0.00 0.00 0.06 0.00 0.00 34.95 31.21 2kn9 s ARG 80 CO 0.01 -0.51 0.27 0.43 -2.50 0.00 0.00 175.30 173.00