#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx9 n ASN 12 N 0.00 5.46 0.05 7.28 0.23 -1.26 -4.84 115.26 122.18 1kx9 n ASN 12 Ca 0.00 -3.17 0.01 0.00 -0.53 0.00 0.00 54.58 50.89 1kx9 n ASN 12 Cb 0.00 -1.43 0.33 0.00 -2.08 0.00 0.00 39.78 36.60 1kx9 n ASN 12 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1kx9 h LEU 13 N 7.43 0.38 -0.50 -4.53 3.38 -2.00 -2.55 115.31 116.91 1kx9 h LEU 13 Ca 0.33 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1kx9 h LEU 13 Cb 0.67 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1kx9 h LEU 13 CO 1.48 0.50 0.23 0.44 0.09 0.00 0.00 178.44 181.18 1kx9 h ASP 14 N 0.39 0.31 -0.08 -0.43 3.32 -2.00 -0.80 116.42 117.13 1kx9 h ASP 14 Ca 0.08 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 1kx9 h ASP 14 Cb 0.37 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1kx9 h ASP 14 CO 0.02 0.21 -0.59 -0.08 -1.72 0.00 0.00 179.24 177.08 1kx9 h GLU 15 N 0.45 0.68 -0.42 3.56 4.81 -1.95 -2.00 114.58 119.71 1kx9 h GLU 15 Ca 0.23 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1kx9 h GLU 15 Cb 0.18 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1kx9 h GLU 15 CO -0.19 1.07 0.10 0.82 -0.73 0.00 0.00 179.01 180.09 1kx9 h ILE 16 N 0.51 1.23 0.00 2.32 1.08 -1.15 -2.45 117.51 119.05 1kx9 h ILE 16 Ca 0.00 -0.79 -0.15 0.00 -0.39 0.00 0.00 64.86 63.53 1kx9 h ILE 16 Cb 1.17 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.84 1kx9 h ILE 16 CO 0.12 0.28 -0.71 -0.07 -0.69 0.00 0.00 178.15 177.08 1kx9 h LEU 17 N 0.54 0.00 0.00 1.44 3.38 -1.14 -3.12 115.31 116.41 1kx9 h LEU 17 Ca 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1kx9 h LEU 17 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1kx9 h LEU 17 CO 0.00 0.71 -0.85 0.00 0.09 0.00 0.00 178.44 178.39 1kx9 h ALA 18 N 1.29 0.61 -2.82 1.53 0.00 -1.34 -3.43 119.26 115.10 1kx9 h ALA 18 Ca -0.01 -0.67 -0.71 0.00 0.00 0.00 0.00 54.91 53.52 1kx9 h ALA 18 Cb 1.34 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.85 1kx9 h ALA 18 CO 0.09 0.85 -0.48 -0.80 0.00 0.00 0.00 179.25 178.92 1kx9 s ASN 19 N -6.35 5.62 0.33 0.00 -0.87 -0.93 -4.97 114.94 107.77 1kx9 s ASN 19 Ca 0.02 -1.46 0.08 0.00 -1.57 0.00 0.00 52.86 49.92 1kx9 s ASN 19 Cb 0.08 -1.98 0.79 0.00 -0.02 0.00 0.00 41.25 40.13 1kx9 s ASN 19 CO 0.78 -0.52 1.82 0.50 -2.57 0.00 0.00 177.10 177.11 1kx9 h LYS 20 N 8.39 0.70 -0.47 -0.60 1.63 -1.84 0.32 116.57 124.71 1kx9 h LYS 20 Ca -0.23 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.61 1kx9 h LYS 20 Cb 1.08 -0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 32.49 1kx9 h LYS 20 CO 0.74 0.46 0.07 0.00 -3.45 0.00 0.00 179.45 177.28 1kx9 h ARG 21 N 0.72 0.20 -0.15 1.90 3.08 -1.93 0.37 114.38 118.56 1kx9 h ARG 21 Ca 0.52 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.45 1kx9 h ARG 21 Cb 0.85 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1kx9 h ARG 21 CO -0.29 0.13 -0.31 -0.07 -1.07 0.00 0.00 179.97 178.36 1kx9 h LEU 22 N 0.20 0.54 -0.70 3.04 3.38 -1.30 -2.64 115.31 117.84 1kx9 h LEU 22 Ca 0.23 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.71 1kx9 h LEU 22 Cb 0.32 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1kx9 h LEU 22 CO -0.32 1.00 0.40 0.25 0.09 0.00 0.00 178.44 179.85 1kx9 h LEU 23 N 0.10 0.59 -0.83 1.67 5.85 -0.78 -0.62 115.31 121.28 1kx9 h LEU 23 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1kx9 h LEU 23 Cb 0.91 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1kx9 h LEU 23 CO 0.07 0.38 0.36 0.58 -0.34 0.00 0.00 178.44 179.49 1kx9 h VAL 24 N 0.73 1.26 -0.67 1.05 2.07 -0.92 0.64 116.25 120.41 1kx9 h VAL 24 Ca 0.31 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1kx9 h VAL 24 Cb 0.18 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1kx9 h VAL 24 CO -0.18 0.33 0.27 0.00 0.02 0.00 0.00 177.57 178.01 1kx9 h ALA 25 N 1.20 0.87 -0.38 1.67 0.00 -1.00 0.22 119.26 121.84 1kx9 h ALA 25 Ca 0.28 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1kx9 h ALA 25 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1kx9 h ALA 25 CO -0.03 0.49 -0.17 1.88 0.00 0.00 0.00 179.25 181.42 1kx9 h TYR 26 N 0.95 0.89 -0.79 0.00 -1.99 -0.73 -1.27 116.97 114.04 1kx9 h TYR 26 Ca 0.22 -0.22 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1kx9 h TYR 26 Cb 0.21 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 1kx9 h TYR 26 CO 0.01 0.96 0.38 0.28 -0.00 0.00 0.00 178.16 179.79 1kx9 h VAL 27 N 0.57 1.25 -0.86 -2.88 2.07 -0.65 -0.26 116.25 115.49 1kx9 h VAL 27 Ca 0.09 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1kx9 h VAL 27 Cb 0.71 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1kx9 h VAL 27 CO 0.05 0.30 0.43 0.78 0.02 0.00 0.00 177.57 179.15 1kx9 h ASN 28 N 1.11 1.10 0.02 0.57 2.35 -0.74 0.12 115.58 120.13 1kx9 h ASN 28 Ca 0.27 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1kx9 h ASN 28 Cb 0.12 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1kx9 h ASN 28 CO -0.03 0.91 -0.01 0.00 -1.65 0.00 0.00 177.43 176.65 1kx9 h VAL 30 N -0.07 1.24 0.00 0.00 2.07 -0.81 -1.68 116.25 116.99 1kx9 h VAL 30 Ca -0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1kx9 h VAL 30 Cb 0.07 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1kx9 h VAL 30 CO 0.01 0.29 0.00 0.23 0.02 0.00 0.00 177.57 178.11 1kx9 n MET 31 N -4.32 0.99 -3.57 1.57 2.00 0.40 -4.90 117.12 109.29 1kx9 n MET 31 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.56 1kx9 n MET 31 Cb 0.14 -1.39 0.07 0.00 0.00 0.00 0.00 33.22 32.04 1kx9 n MET 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1kx9 n GLU 32 N -0.89 -6.95 -0.59 0.03 1.02 -0.63 -4.88 120.64 107.74 1kx9 n GLU 32 Ca 0.18 0.80 0.02 0.00 -0.02 0.00 0.00 57.16 58.14 1kx9 n GLU 32 Cb 0.08 -5.78 0.03 0.00 -0.02 0.00 0.00 31.44 25.75 1kx9 n GLU 32 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1kx9 n ARG 33 N -4.57 0.20 -3.54 3.49 1.85 -0.20 -5.05 116.66 108.84 1kx9 n ARG 33 Ca -0.13 -1.40 -0.10 0.00 -1.00 0.00 0.00 57.85 55.22 1kx9 n ARG 33 Cb 0.61 -0.58 -0.04 0.00 -1.05 0.00 0.00 32.46 31.40 1kx9 n ARG 33 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1kx9 s GLY 34 N -1.43 -0.39 0.34 2.89 0.00 -1.09 -4.88 107.32 102.76 1kx9 s GLY 34 Ca 0.10 1.46 -0.29 0.00 0.00 0.00 0.00 44.72 45.99 1kx9 s GLY 34 CO -0.02 0.66 1.41 0.54 0.00 0.00 0.00 173.10 175.69 1kx9 s LYS 35 N -2.16 4.23 -0.19 2.90 1.02 -1.26 -4.01 119.74 120.26 1kx9 s LYS 35 Ca 0.01 2.40 -0.08 0.00 0.02 0.00 0.00 55.97 58.32 1kx9 s LYS 35 Cb -0.01 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1kx9 s LYS 35 CO -0.03 -0.38 0.09 0.00 -0.92 0.00 0.00 175.35 174.10 1kx9 s SER 37 N 0.46 4.83 0.23 0.00 1.04 -1.26 -4.80 113.70 114.21 1kx9 s SER 37 Ca 0.05 0.48 -0.07 0.00 0.48 0.00 0.00 55.95 56.89 1kx9 s SER 37 Cb -0.12 -1.13 0.27 0.00 0.10 0.00 0.00 66.02 65.14 1kx9 s SER 37 CO 0.00 -1.59 1.87 -0.65 0.98 0.00 0.00 173.24 173.84 1kx9 h PRO 38 N -0.61 0.99 -0.71 4.02 0.11 -1.99 0.70 132.00 134.51 1kx9 h PRO 38 Ca -0.44 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1kx9 h PRO 38 Cb 1.32 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1kx9 h PRO 38 CO 0.61 0.65 0.40 1.49 -0.21 0.00 0.00 178.00 180.93 1kx9 h GLU 39 N 1.02 0.99 -0.91 1.05 4.81 -2.00 -2.01 114.58 117.53 1kx9 h GLU 39 Ca 0.35 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1kx9 h GLU 39 Cb 0.06 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1kx9 h GLU 39 CO -0.13 0.73 0.59 0.78 -0.73 0.00 0.00 179.01 180.25 1kx9 h GLY 40 N 0.98 1.29 1.62 1.92 0.00 -1.56 -0.86 103.07 106.46 1kx9 h GLY 40 Ca 0.25 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1kx9 h GLY 40 CO -0.04 0.48 0.02 0.50 0.00 0.00 0.00 176.54 177.50 1kx9 h LYS 41 N 1.24 0.48 -0.09 4.80 1.57 -0.44 0.89 116.57 125.02 1kx9 h LYS 41 Ca 0.33 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1kx9 h LYS 41 Cb -0.12 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1kx9 h LYS 41 CO -0.07 0.50 -0.11 0.93 -0.57 0.00 0.00 179.45 180.13 1kx9 h GLU 42 N 0.47 0.23 -0.52 3.15 5.08 -0.68 -1.51 114.58 120.80 1kx9 h GLU 42 Ca 0.11 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1kx9 h GLU 42 Cb 0.28 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1kx9 h GLU 42 CO 0.01 0.67 0.28 1.25 -1.00 0.00 0.00 179.01 180.21 1kx9 h LEU 43 N -0.21 0.65 -0.50 1.33 7.12 -0.93 -2.84 115.31 119.93 1kx9 h LEU 43 Ca 0.01 -0.10 0.03 0.00 0.13 0.00 0.00 57.88 57.96 1kx9 h LEU 43 Cb 0.64 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.57 1kx9 h LEU 43 CO 0.03 0.56 0.27 0.50 -0.13 0.00 0.00 178.44 179.67 1kx9 h LYS 44 N 0.69 0.52 -0.55 1.25 3.64 -0.79 0.20 116.57 121.53 1kx9 h LYS 44 Ca 0.18 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1kx9 h LYS 44 Cb 0.06 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 1kx9 h LYS 44 CO -0.03 0.35 0.14 1.49 -2.27 0.00 0.00 179.45 179.13 1kx9 h GLU 45 N 0.54 0.28 0.09 1.90 4.81 -1.03 0.24 114.58 121.41 1kx9 h GLU 45 Ca 0.21 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.17 1kx9 h GLU 45 Cb 0.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1kx9 h GLU 45 CO -0.13 0.19 -1.20 0.45 -0.73 0.00 0.00 179.01 177.60 1kx9 h HIS 46 N 0.29 0.33 -0.36 0.92 3.86 -1.39 -1.39 115.15 117.41 1kx9 h HIS 46 Ca 0.28 -0.24 -0.15 0.00 -1.16 0.00 0.00 60.37 59.10 1kx9 h HIS 46 Cb 0.37 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1kx9 h HIS 46 CO -0.21 1.20 -0.36 1.25 0.86 0.00 0.00 177.93 180.66 1kx9 h LEU 47 N 0.05 0.94 -0.60 2.43 5.85 -0.64 0.74 115.31 124.09 1kx9 h LEU 47 Ca -0.11 -0.47 -0.07 0.00 0.84 0.00 0.00 57.88 58.07 1kx9 h LEU 47 Cb 1.91 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 1kx9 h LEU 47 CO 0.18 1.22 0.08 -0.61 -0.34 0.00 0.00 178.44 178.97 1kx9 h GLN 48 N 0.68 1.00 -0.85 1.25 4.15 -0.59 -1.40 115.11 119.34 1kx9 h GLN 48 Ca 0.06 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 1kx9 h GLN 48 Cb 0.96 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1kx9 h GLN 48 CO 0.09 0.95 0.45 0.22 -1.93 0.00 0.00 178.83 178.61 1kx9 h ASP 49 N 0.90 1.08 -0.28 -0.69 3.58 -0.97 0.85 116.42 120.89 1kx9 h ASP 49 Ca 0.18 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 1kx9 h ASP 49 Cb 0.44 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1kx9 h ASP 49 CO 0.01 0.88 0.16 0.00 -2.88 0.00 0.00 179.24 177.41 1kx9 h ALA 50 N 1.24 0.35 0.12 -0.78 0.00 -0.34 0.59 119.26 120.45 1kx9 h ALA 50 Ca 0.30 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 1kx9 h ALA 50 Cb 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kx9 h ALA 50 CO -0.05 -0.14 -1.22 0.82 0.00 0.00 0.00 179.25 178.67 1kx9 h ILE 51 N 0.34 1.46 0.10 0.00 1.08 -1.05 -2.85 117.51 116.59 1kx9 h ILE 51 Ca 0.10 -2.92 -0.32 0.00 -0.39 0.00 0.00 64.86 61.33 1kx9 h ILE 51 Cb 0.03 2.87 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 1kx9 h ILE 51 CO -0.02 0.86 -1.68 -0.08 -0.69 0.00 0.00 178.15 176.54 1kx9 h GLU 52 N 0.11 0.21 0.00 2.37 4.81 -0.86 -3.41 114.58 117.82 1kx9 h GLU 52 Ca -0.14 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1kx9 h GLU 52 Cb 1.93 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 31.35 1kx9 h GLU 52 CO 0.21 1.04 -0.54 0.09 -0.73 0.00 0.00 179.01 179.07 1kx9 n ASN 53 N -3.39 0.84 -2.13 1.04 4.13 0.03 -4.97 115.26 110.81 1kx9 n ASN 53 Ca -0.20 -2.38 -0.18 0.00 1.68 0.00 0.00 54.58 53.50 1kx9 n ASN 53 Cb 1.05 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.99 1kx9 n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kx9 n GLY 54 N -0.24 -0.34 3.83 7.41 0.00 -0.93 -2.88 105.19 112.03 1kx9 n GLY 54 Ca 0.06 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1kx9 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kx9 h LYS 56 N -2.17 0.70 -0.33 0.00 3.64 -1.74 -1.55 116.57 115.13 1kx9 h LYS 56 Ca -0.58 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1kx9 h LYS 56 Cb 1.37 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1kx9 h LYS 56 CO 0.64 0.47 0.00 1.63 -2.27 0.00 0.00 179.45 179.91 1kx9 n LYS 57 N -4.77 2.27 -2.66 1.90 5.02 -1.26 -4.98 118.16 113.67 1kx9 n LYS 57 Ca 0.24 -2.08 -0.35 0.00 -2.02 0.00 0.00 58.31 54.10 1kx9 n LYS 57 Cb 0.61 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.14 1kx9 n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kx9 s THR 59 N -1.93 2.01 0.23 0.00 -4.23 -1.26 -4.78 115.64 105.68 1kx9 s THR 59 Ca 0.61 -0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1kx9 s THR 59 Cb -0.16 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.88 1kx9 s THR 59 CO 0.20 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 176.06 1kx9 h GLU 60 N -1.38 0.94 -0.36 3.99 4.57 -1.98 -1.20 114.58 119.16 1kx9 h GLU 60 Ca -0.45 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.56 1kx9 h GLU 60 Cb 1.27 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1kx9 h GLU 60 CO 0.49 0.62 -0.24 -0.91 -1.18 0.00 0.00 179.01 177.79 1kx9 h ASN 61 N 0.96 0.73 0.29 1.04 -0.26 -1.99 -1.35 115.58 115.00 1kx9 h ASN 61 Ca 0.34 -0.27 -0.14 0.00 -0.56 0.00 0.00 56.30 55.67 1kx9 h ASN 61 Cb 0.08 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1kx9 h ASN 61 CO -0.14 0.95 -0.54 1.56 -1.06 0.00 0.00 177.43 178.20 1kx9 h GLN 62 N 0.63 0.27 -0.31 0.81 4.20 -1.83 -1.35 115.11 117.53 1kx9 h GLN 62 Ca 0.09 -0.17 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 1kx9 h GLN 62 Cb 0.74 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1kx9 h GLN 62 CO 0.06 0.75 -0.31 1.49 -0.67 0.00 0.00 178.83 180.15 1kx9 h GLU 63 N 0.21 0.75 -0.21 1.46 4.81 -1.04 -0.15 114.58 120.42 1kx9 h GLU 63 Ca 0.00 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 1kx9 h GLU 63 Cb 1.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1kx9 h GLU 63 CO 0.09 1.02 -0.12 0.87 -0.73 0.00 0.00 179.01 180.13 1kx9 h LYS 64 N 0.51 0.33 -0.19 1.92 1.57 -1.07 -0.53 116.57 119.12 1kx9 h LYS 64 Ca 0.05 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1kx9 h LYS 64 Cb 0.88 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1kx9 h LYS 64 CO 0.08 0.47 -0.16 0.78 -0.57 0.00 0.00 179.45 180.04 1kx9 h GLY 65 N 0.82 0.48 1.01 3.86 0.00 -1.02 -1.23 103.07 106.99 1kx9 h GLY 65 Ca 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1kx9 h GLY 65 CO 0.02 0.43 0.43 0.00 0.00 0.00 0.00 176.54 177.42 1kx9 h ALA 66 N 0.65 0.96 -0.56 3.60 0.00 -0.71 -1.89 119.26 121.31 1kx9 h ALA 66 Ca 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1kx9 h ALA 66 Cb 0.69 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1kx9 h ALA 66 CO 0.04 0.46 0.09 -0.92 0.00 0.00 0.00 179.25 178.92 1kx9 h TYR 67 N 1.03 0.92 -0.62 0.00 3.20 -0.96 0.10 116.97 120.64 1kx9 h TYR 67 Ca 0.27 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1kx9 h TYR 67 Cb 0.01 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 1kx9 h TYR 67 CO -0.00 0.79 0.39 -0.09 -1.64 0.00 0.00 178.16 177.60 1kx9 h ARG 68 N 0.84 0.84 -0.27 1.82 2.43 -0.73 0.18 114.38 119.48 1kx9 h ARG 68 Ca 0.18 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1kx9 h ARG 68 Cb 0.37 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1kx9 h ARG 68 CO 0.01 0.59 0.05 0.28 -1.51 0.00 0.00 179.97 179.38 1kx9 h VAL 69 N 0.84 1.23 -0.35 0.20 2.07 -0.88 -1.87 116.25 117.50 1kx9 h VAL 69 Ca 0.22 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1kx9 h VAL 69 Cb -0.04 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1kx9 h VAL 69 CO -0.04 0.25 0.18 0.40 0.02 0.00 0.00 177.57 178.38 1kx9 h ILE 70 N 0.27 1.00 -0.54 4.57 1.08 -0.36 -0.59 117.51 122.94 1kx9 h ILE 70 Ca 0.08 -0.13 -0.06 0.00 -0.39 0.00 0.00 64.86 64.37 1kx9 h ILE 70 Cb 0.32 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 1kx9 h ILE 70 CO 0.00 0.07 0.10 -0.08 -0.69 0.00 0.00 178.15 177.55 1kx9 h GLU 71 N 0.38 0.85 -0.58 2.37 4.81 -0.59 0.02 114.58 121.84 1kx9 h GLU 71 Ca 0.14 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1kx9 h GLU 71 Cb 0.04 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1kx9 h GLU 71 CO -0.09 0.79 0.31 1.25 -0.73 0.00 0.00 179.01 180.54 1kx9 h HIS 72 N 0.81 0.81 -0.50 0.92 2.76 -0.92 -0.65 115.15 118.38 1kx9 h HIS 72 Ca 0.17 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 1kx9 h HIS 72 Cb 0.34 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1kx9 h HIS 72 CO 0.02 0.60 -0.10 -0.07 -1.30 0.00 0.00 177.93 177.08 1kx9 h LEU 73 N 0.79 0.96 -0.81 0.26 3.38 -0.34 0.10 115.31 119.64 1kx9 h LEU 73 Ca 0.20 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1kx9 h LEU 73 Cb 0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1kx9 h LEU 73 CO -0.03 1.09 0.23 0.40 0.09 0.00 0.00 178.44 180.21 1kx9 h ILE 74 N 0.81 1.26 0.04 1.22 2.04 -0.78 0.19 117.51 122.29 1kx9 h ILE 74 Ca 0.13 -0.89 -0.26 0.00 1.00 0.00 0.00 64.86 64.84 1kx9 h ILE 74 Cb 0.66 0.46 0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1kx9 h ILE 74 CO 0.05 0.35 -1.06 0.50 0.00 0.00 0.00 178.15 177.99 1kx9 h LYS 75 N 1.07 0.65 0.00 2.37 3.64 -0.90 -3.38 116.57 120.02 1kx9 h LYS 75 Ca 0.23 -0.75 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1kx9 h LYS 75 Cb 0.29 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1kx9 h LYS 75 CO -0.01 1.32 -1.45 0.09 -2.27 0.00 0.00 179.45 177.13 1kx9 n ASN 76 N -3.88 2.86 -3.16 4.20 3.02 0.33 -4.78 115.26 113.85 1kx9 n ASN 76 Ca -0.12 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.25 1kx9 n ASN 76 Cb 0.89 1.31 -0.03 0.00 -0.61 0.00 0.00 39.78 41.34 1kx9 n ASN 76 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kx9 n GLU 77 N -1.91 1.09 -0.13 3.52 -0.58 0.59 -4.96 120.64 118.27 1kx9 n GLU 77 Ca -0.04 -3.45 0.15 0.00 -0.42 0.00 0.00 57.16 53.40 1kx9 n GLU 77 Cb 0.33 -1.72 0.51 0.00 -0.57 0.00 0.00 31.44 29.99 1kx9 n GLU 77 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1kx9 h ILE 78 N 1.16 0.82 -0.82 -3.67 6.09 -1.51 -1.11 117.51 118.46 1kx9 h ILE 78 Ca 0.10 -0.13 -0.03 0.00 -1.37 0.00 0.00 64.86 63.42 1kx9 h ILE 78 Cb 0.95 0.40 -0.04 0.00 0.47 0.00 0.00 36.82 38.60 1kx9 h ILE 78 CO 0.52 0.07 0.39 -0.33 -3.07 0.00 0.00 178.15 175.73 1kx9 h GLU 79 N 0.39 1.18 -0.38 2.19 3.07 -1.93 -0.24 114.58 118.86 1kx9 h GLU 79 Ca 0.34 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1kx9 h GLU 79 Cb 0.77 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1kx9 h GLU 79 CO -0.10 0.91 -0.07 0.82 -1.40 0.00 0.00 179.01 179.18 1kx9 h ILE 80 N 1.17 1.27 -0.89 3.13 1.08 -1.56 -1.70 117.51 120.00 1kx9 h ILE 80 Ca 0.28 -1.13 0.05 0.00 -0.39 0.00 0.00 64.86 63.67 1kx9 h ILE 80 Cb 0.12 1.23 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 1kx9 h ILE 80 CO -0.04 0.37 0.57 -0.25 -0.69 0.00 0.00 178.15 178.12 1kx9 h TRP 81 N 0.52 1.07 -0.45 1.37 2.91 -0.95 0.50 115.95 120.91 1kx9 h TRP 81 Ca 0.10 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.06 1kx9 h TRP 81 Cb 0.57 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 1kx9 h TRP 81 CO 0.05 0.59 -0.05 0.00 -1.03 0.00 0.00 178.44 177.99 1kx9 h ARG 82 N 1.08 0.78 -0.45 2.65 3.08 -0.84 -1.48 114.38 119.20 1kx9 h ARG 82 Ca 0.37 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1kx9 h ARG 82 Cb 0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1kx9 h ARG 82 CO -0.14 0.82 -0.09 0.93 -1.07 0.00 0.00 179.97 180.43 1kx9 h GLU 83 N 0.72 0.85 -0.45 0.04 5.08 -0.36 -1.46 114.58 118.99 1kx9 h GLU 83 Ca 0.13 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1kx9 h GLU 83 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1kx9 h GLU 83 CO 0.03 0.95 0.25 -0.07 -1.00 0.00 0.00 179.01 179.17 1kx9 h LEU 84 N 0.68 0.56 -0.50 1.33 3.38 -0.60 -1.77 115.31 118.40 1kx9 h LEU 84 Ca 0.12 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1kx9 h LEU 84 Cb 0.62 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1kx9 h LEU 84 CO 0.04 0.48 -0.72 0.71 0.09 0.00 0.00 178.44 179.04 1kx9 h THR 85 N 0.59 1.43 -0.64 0.22 1.35 -1.27 0.51 112.91 115.10 1kx9 h THR 85 Ca 0.16 -2.24 -0.04 0.00 -0.55 0.00 0.00 66.41 63.73 1kx9 h THR 85 Cb 0.04 2.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 1kx9 h THR 85 CO -0.03 0.66 0.22 0.00 -0.25 0.00 0.00 175.52 176.12 1kx9 h ALA 86 N 1.10 1.18 0.05 6.62 0.00 -1.05 0.13 119.26 127.29 1kx9 h ALA 86 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1kx9 h ALA 86 Cb 1.27 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1kx9 h ALA 86 CO 0.11 0.58 -0.50 -0.22 0.00 0.00 0.00 179.25 179.22 1kx9 h LYS 87 N 0.94 0.25 0.00 0.00 3.64 -1.14 -3.36 116.57 116.90 1kx9 h LYS 87 Ca 0.21 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1kx9 h LYS 87 Cb 0.24 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1kx9 h LYS 87 CO -0.01 1.09 -1.54 0.66 -2.27 0.00 0.00 179.45 177.38 1kx9 n TYR 88 N -4.32 0.00 -2.97 1.91 4.02 0.15 -4.69 117.16 111.27 1kx9 n TYR 88 Ca -0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.64 1kx9 n TYR 88 Cb 0.66 -0.30 0.01 0.00 -0.02 0.00 0.00 39.34 39.69 1kx9 n TYR 88 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1kx9 n ASP 89 N -1.93 0.57 0.19 7.72 2.03 0.40 -4.09 116.55 121.45 1kx9 n ASP 89 Ca -0.02 -2.96 0.13 0.00 0.52 0.00 0.00 54.79 52.46 1kx9 n ASP 89 Cb 0.41 -0.27 0.72 0.00 -0.72 0.00 0.00 41.12 41.26 1kx9 n ASP 89 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1kx9 h PRO 90 N 2.95 0.00 0.00 -0.67 0.13 -1.56 -0.04 132.00 132.81 1kx9 h PRO 90 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1kx9 h PRO 90 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1kx9 h PRO 90 CO 0.44 0.00 -0.37 1.15 -0.23 0.00 0.00 178.00 178.99 1kx9 h THR 91 N 0.00 1.02 0.00 1.56 2.02 -1.93 -3.48 112.91 112.11 1kx9 h THR 91 Ca 0.07 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1kx9 h THR 91 Cb 0.33 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1kx9 h THR 91 CO -0.00 0.36 0.00 0.61 0.37 0.00 0.00 175.52 176.86 1kx9 n GLY 92 N -0.11 0.75 0.22 2.16 0.00 -0.03 -4.95 105.19 103.22 1kx9 n GLY 92 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1kx9 n GLY 92 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kx9 h ASN 93 N 0.00 0.74 0.07 1.61 2.35 -1.92 -0.94 115.58 117.50 1kx9 h ASN 93 Ca 0.00 -0.43 -0.24 0.00 -0.55 0.00 0.00 56.30 55.08 1kx9 h ASN 93 Cb 0.00 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.17 1kx9 h ASN 93 CO 0.00 1.19 -0.95 -0.50 -1.65 0.00 0.00 177.43 175.52 1kx9 h TRP 94 N 0.48 0.91 -0.43 1.19 4.06 -1.91 -2.85 115.95 117.40 1kx9 h TRP 94 Ca -0.01 -0.47 0.08 0.00 2.06 0.00 0.00 58.89 60.55 1kx9 h TRP 94 Cb 1.21 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 29.18 1kx9 h TRP 94 CO 0.06 1.30 0.00 -0.09 -3.56 0.00 0.00 178.44 176.15 1kx9 h ARG 95 N 0.38 0.11 -0.79 0.49 2.43 -1.81 -1.76 114.38 113.42 1kx9 h ARG 95 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1kx9 h ARG 95 Cb 1.59 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 31.07 1kx9 h ARG 95 CO 0.18 0.07 0.50 -0.22 -1.51 0.00 0.00 179.97 179.00 1kx9 h LYS 96 N 0.11 1.06 -0.41 0.20 3.64 -1.13 -0.15 116.57 119.89 1kx9 h LYS 96 Ca 0.22 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1kx9 h LYS 96 Cb 0.31 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1kx9 h LYS 96 CO -0.36 0.72 0.21 0.87 -2.27 0.00 0.00 179.45 178.62 1kx9 h LYS 97 N 1.08 0.59 -0.34 1.90 1.57 -1.10 0.08 116.57 120.35 1kx9 h LYS 97 Ca 0.29 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.82 1kx9 h LYS 97 Cb -0.09 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1kx9 h LYS 97 CO -0.06 0.50 -0.44 1.88 -0.57 0.00 0.00 179.45 180.76 1kx9 h TYR 98 N 0.52 1.05 -0.33 -1.35 0.99 -0.88 -2.82 116.97 114.16 1kx9 h TYR 98 Ca 0.14 -0.33 -0.10 0.00 2.00 0.00 0.00 58.73 60.44 1kx9 h TYR 98 Cb 0.10 -0.21 -0.01 0.00 1.00 0.00 0.00 36.73 37.60 1kx9 h TYR 98 CO -0.02 1.14 -0.22 0.93 -0.00 0.00 0.00 178.16 180.00 1kx9 h GLU 99 N 0.70 0.64 -0.47 4.88 5.08 -0.87 -1.82 114.58 122.71 1kx9 h GLU 99 Ca 0.05 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1kx9 h GLU 99 Cb 1.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1kx9 h GLU 99 CO 0.10 0.81 0.04 -0.44 -1.00 0.00 0.00 179.01 178.51 1kx9 h ASP 100 N 0.56 0.71 -0.25 1.42 3.32 -0.91 0.08 116.42 121.35 1kx9 h ASP 100 Ca 0.08 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1kx9 h ASP 100 Cb 0.68 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1kx9 h ASP 100 CO 0.05 0.76 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.23 1kx9 h ARG 101 N 0.71 0.44 -0.80 3.56 2.43 -1.29 -1.09 114.38 118.35 1kx9 h ARG 101 Ca 0.15 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1kx9 h ARG 101 Cb 0.38 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1kx9 h ARG 101 CO 0.01 0.63 0.37 0.00 -1.51 0.00 0.00 179.97 179.46 1kx9 h ALA 102 N 0.80 1.04 -0.25 2.80 0.00 -1.01 -2.34 119.26 120.29 1kx9 h ALA 102 Ca 0.07 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1kx9 h ALA 102 Cb 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1kx9 h ALA 102 CO 0.01 0.62 -0.29 0.87 0.00 0.00 0.00 179.25 180.46 1kx9 h LYS 103 N 1.14 0.50 0.00 0.00 1.57 -0.87 -0.91 116.57 118.01 1kx9 h LYS 103 Ca 0.27 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1kx9 h LYS 103 Cb 0.15 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1kx9 h LYS 103 CO -0.03 0.75 -0.08 0.00 -0.57 0.00 0.00 179.45 179.52 1kx9 h ALA 104 N 1.25 1.10 -0.49 3.86 0.00 -0.87 -1.51 119.26 122.60 1kx9 h ALA 104 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kx9 h ALA 104 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1kx9 h ALA 104 CO 0.06 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1kx9 n ALA 105 N -2.18 2.42 -0.34 0.00 0.00 -0.73 -4.92 120.51 114.77 1kx9 n ALA 105 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1kx9 n ALA 105 Cb 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1kx9 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kx9 n GLY 106 N 1.32 0.89 3.70 0.00 0.00 -0.57 -5.03 105.19 105.50 1kx9 n GLY 106 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1kx9 n GLY 106 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kx9 s ILE 107 N -2.80 4.35 -0.09 -0.61 -1.09 -0.43 -4.98 121.20 115.55 1kx9 s ILE 107 Ca 0.00 1.68 -0.15 0.00 -2.23 0.00 0.00 60.65 59.94 1kx9 s ILE 107 Cb 0.00 -4.08 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 1kx9 s ILE 107 CO 0.00 0.07 0.39 0.68 -1.23 0.00 0.00 174.94 174.85 1kx9 s VAL 108 N 1.52 5.18 -0.36 2.92 -7.23 -1.26 -3.86 120.40 117.32 1kx9 s VAL 108 Ca 0.55 0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 61.46 1kx9 s VAL 108 Cb -0.25 -3.71 0.08 0.00 0.56 0.00 0.00 36.38 33.05 1kx9 s VAL 108 CO 0.25 0.44 0.12 -0.63 -0.31 0.00 0.00 175.10 174.97 1kx9 s ILE 109 N -0.02 3.30 0.31 -0.62 1.09 -1.26 -4.97 121.20 119.03 1kx9 s ILE 109 Ca 0.22 -1.64 -0.29 0.00 -1.10 0.00 0.00 60.65 57.84 1kx9 s ILE 109 Cb -0.15 -3.06 -0.10 0.00 -1.06 0.00 0.00 42.46 38.09 1kx9 s ILE 109 CO 0.09 -0.39 1.31 -2.16 -0.10 0.00 0.00 174.94 173.69 1kx9 s PRO 110 N 1.23 4.36 0.48 2.79 0.04 -1.26 -4.98 135.00 137.66 1kx9 s PRO 110 Ca 0.02 2.20 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 1kx9 s PRO 110 Cb -0.21 -3.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.16 1kx9 s PRO 110 CO -0.02 -0.20 1.04 -1.21 0.04 0.00 0.00 177.00 176.65 1kx9 s GLU 111 N -1.54 3.83 0.00 4.56 2.02 -1.26 -5.14 118.70 121.17 1kx9 s GLU 111 Ca 0.50 1.39 0.21 0.00 0.02 0.00 0.00 54.97 57.09 1kx9 s GLU 111 Cb -0.40 -2.15 1.25 0.00 0.10 0.00 0.00 34.13 32.93 1kx9 s GLU 111 CO 0.51 -0.41 1.63 -1.91 0.02 0.00 0.00 175.26 175.10