#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekz n ASP 2 N 0.00 3.63 -0.86 7.83 -0.08 -1.26 -4.81 116.55 121.00 1ekz n ASP 2 Ca 0.00 -3.52 0.05 0.00 -1.51 0.00 0.00 54.79 49.81 1ekz n ASP 2 Cb 0.00 -0.56 0.23 0.00 2.34 0.00 0.00 41.12 43.12 1ekz n ASP 2 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ekz n GLU 3 N -0.15 2.38 0.00 -0.67 0.00 -1.26 -4.62 120.64 116.32 1ekz n GLU 3 Ca 0.30 -2.91 0.09 0.00 0.00 0.00 0.00 57.16 54.64 1ekz n GLU 3 Cb 0.48 -1.79 0.43 0.00 0.00 0.00 0.00 31.44 30.56 1ekz n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ekz n GLY 4 N -0.82 -1.05 0.47 -1.84 0.00 -1.26 -3.63 105.19 97.06 1ekz n GLY 4 Ca 0.24 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1ekz n GLY 4 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ekz h ASP 5 N 0.00 -0.98 -3.51 1.61 3.58 -2.01 -3.44 116.42 111.67 1ekz h ASP 5 Ca 0.00 0.03 -0.46 0.00 0.42 0.00 0.00 57.03 57.03 1ekz h ASP 5 Cb 0.26 0.25 0.12 0.00 1.72 0.00 0.00 39.33 41.68 1ekz h ASP 5 CO 0.00 -0.63 0.29 -0.54 -2.88 0.00 0.00 179.24 175.48 1ekz s LYS 6 N -5.31 1.39 0.00 0.28 -0.14 -1.24 -5.07 119.74 109.65 1ekz s LYS 6 Ca -0.17 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 1ekz s LYS 6 Cb 0.02 -2.06 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 1ekz s LYS 6 CO 0.51 -1.81 0.00 0.36 -0.76 0.00 0.00 175.35 173.65 1ekz n LYS 7 N -3.28 0.00 -3.30 1.68 2.85 -1.26 -5.05 118.16 109.80 1ekz n LYS 7 Ca 0.13 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.95 1ekz n LYS 7 Cb 0.60 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.90 1ekz n LYS 7 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1ekz s SER 8 N -4.00 6.18 0.15 -5.58 1.04 -1.26 -4.92 113.70 105.32 1ekz s SER 8 Ca 0.00 -0.97 -0.06 0.00 0.48 0.00 0.00 55.95 55.40 1ekz s SER 8 Cb 0.00 -2.23 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 1ekz s SER 8 CO 0.00 -0.68 1.42 1.55 0.98 0.00 0.00 173.24 176.50 1ekz h PRO 9 N 8.81 0.62 -0.99 4.02 0.13 -1.99 -3.14 132.00 139.45 1ekz h PRO 9 Ca -0.27 -0.45 0.18 0.00 -0.87 0.00 0.00 66.00 64.59 1ekz h PRO 9 Cb 1.11 0.08 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1ekz h PRO 9 CO 0.87 1.07 0.61 0.82 -0.23 0.00 0.00 178.00 181.14 1ekz h ILE 10 N 0.44 0.73 0.37 -3.56 2.04 -1.91 0.42 117.51 116.04 1ekz h ILE 10 Ca -0.02 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1ekz h ILE 10 Cb 1.25 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1ekz h ILE 10 CO 0.13 0.13 -0.23 0.77 0.00 0.00 0.00 178.15 178.95 1ekz h SER 11 N 0.73 -0.59 -0.54 1.72 4.64 -1.97 0.52 113.55 118.06 1ekz h SER 11 Ca 0.55 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.97 1ekz h SER 11 Cb 0.90 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 1ekz h SER 11 CO -0.33 -0.36 0.36 1.56 -0.87 0.00 0.00 176.83 177.19 1ekz h GLN 12 N -0.57 0.44 -0.60 4.77 4.20 -1.56 0.13 115.11 121.92 1ekz h GLN 12 Ca -0.05 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1ekz h GLN 12 Cb 0.46 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1ekz h GLN 12 CO 0.05 0.29 0.08 0.28 -0.67 0.00 0.00 178.83 178.85 1ekz h VAL 13 N 0.45 1.25 -0.06 -0.54 2.07 0.24 0.38 116.25 120.04 1ekz h VAL 13 Ca 0.24 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1ekz h VAL 13 Cb 0.36 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1ekz h VAL 13 CO -0.06 0.37 -0.04 0.45 0.02 0.00 0.00 177.57 178.31 1ekz h HIS 14 N 0.93 0.15 -0.16 1.57 3.86 0.23 1.01 115.15 122.75 1ekz h HIS 14 Ca 0.18 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1ekz h HIS 14 Cb 0.43 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1ekz h HIS 14 CO 0.03 0.53 0.05 0.93 0.86 0.00 0.00 177.93 180.33 1ekz h GLU 15 N -0.27 0.12 -0.10 2.45 5.08 -0.64 -1.77 114.58 119.45 1ekz h GLU 15 Ca 0.01 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1ekz h GLU 15 Cb 0.50 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ekz h GLU 15 CO 0.01 0.08 -0.49 0.82 -1.00 0.00 0.00 179.01 178.43 1ekz h ILE 16 N 0.12 1.34 -0.90 3.13 2.04 -0.23 -0.04 117.51 122.97 1ekz h ILE 16 Ca 0.07 -1.71 0.17 0.00 1.00 0.00 0.00 64.86 64.39 1ekz h ILE 16 Cb 0.04 1.81 -0.10 0.00 -0.74 0.00 0.00 36.82 37.83 1ekz h ILE 16 CO -0.07 0.51 0.47 1.23 0.00 0.00 0.00 178.15 180.29 1ekz h GLY 17 N 1.32 1.51 0.49 5.37 0.00 0.19 0.65 103.07 112.61 1ekz h GLY 17 Ca 0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 47.33 46.77 1ekz h GLY 17 CO 0.08 -0.09 -1.61 1.19 0.00 0.00 0.00 176.54 176.11 1ekz h ILE 18 N 0.62 0.85 -0.79 2.60 6.09 -1.27 1.28 117.51 126.89 1ekz h ILE 18 Ca 0.51 -2.34 0.17 0.00 -1.37 0.00 0.00 64.86 61.83 1ekz h ILE 18 Cb 0.79 2.54 -0.05 0.00 0.47 0.00 0.00 36.82 40.57 1ekz h ILE 18 CO -0.40 0.71 0.53 0.50 -3.07 0.00 0.00 178.15 176.42 1ekz h LYS 19 N -0.28 0.38 -0.59 2.19 1.63 -0.37 -0.32 116.57 119.21 1ekz h LYS 19 Ca -0.36 -0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.24 1ekz h LYS 19 Cb 1.79 -0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 33.22 1ekz h LYS 19 CO 0.02 0.25 0.18 -2.13 -3.45 0.00 0.00 179.45 174.32 1ekz n ARG 20 N -4.48 3.18 -3.67 1.90 3.00 0.22 -4.93 116.66 111.88 1ekz n ARG 20 Ca 0.16 -3.06 -0.28 0.00 -0.00 0.00 0.00 57.85 54.67 1ekz n ARG 20 Cb 0.59 -2.08 0.01 0.00 0.00 0.00 0.00 32.46 30.99 1ekz n ARG 20 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ekz n ASN 21 N -0.44 -4.52 -0.11 6.15 5.15 -0.13 -4.86 115.26 116.49 1ekz n ASN 21 Ca 0.37 -0.62 -0.15 0.00 -0.60 0.00 0.00 54.58 53.58 1ekz n ASN 21 Cb 1.25 -3.66 -0.14 0.00 -0.53 0.00 0.00 39.78 36.71 1ekz n ASN 21 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1ekz n MET 22 N -4.29 0.67 -2.74 1.20 2.81 0.35 -4.71 117.12 110.41 1ekz n MET 22 Ca 0.01 0.09 -0.04 0.00 -1.81 0.00 0.00 57.70 55.95 1ekz n MET 22 Cb 0.54 -1.53 0.02 0.00 -0.71 0.00 0.00 33.22 31.54 1ekz n MET 22 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ekz n THR 23 N -3.06 -7.71 -1.87 2.03 -1.04 0.34 0.11 114.28 103.08 1ekz n THR 23 Ca -0.40 -0.49 -0.39 0.00 -2.04 0.00 0.00 64.05 60.72 1ekz n THR 23 Cb 1.06 -5.96 -0.03 0.00 -1.82 0.00 0.00 70.33 63.58 1ekz n THR 23 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ekz s VAL 24 N -3.11 3.26 -0.32 12.58 1.01 -1.25 -4.43 120.40 128.14 1ekz s VAL 24 Ca 0.13 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1ekz s VAL 24 Cb -0.02 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1ekz s VAL 24 CO 0.57 -0.52 0.11 -1.00 0.00 0.00 0.00 175.10 174.26 1ekz s HIS 25 N 9.58 3.21 0.03 5.22 3.76 -0.92 -4.89 115.29 131.28 1ekz s HIS 25 Ca 0.80 -1.16 -0.19 0.00 -0.15 0.00 0.00 55.06 54.36 1ekz s HIS 25 Cb -0.17 -2.29 -0.06 0.00 1.11 0.00 0.00 32.58 31.17 1ekz s HIS 25 CO 0.25 -0.65 0.57 -0.06 -0.85 0.00 0.00 174.74 174.00 1ekz s PHE 26 N 1.47 3.75 -0.18 1.40 0.08 -1.26 -0.06 117.98 123.17 1ekz s PHE 26 Ca 0.01 1.22 -0.08 0.00 0.12 0.00 0.00 56.93 58.20 1ekz s PHE 26 Cb -0.18 -2.53 0.07 0.00 -0.57 0.00 0.00 43.02 39.81 1ekz s PHE 26 CO 0.03 0.49 0.39 0.15 -0.10 0.00 0.00 175.22 176.19 1ekz s LYS 27 N -0.71 0.33 -0.02 0.44 1.02 0.17 -4.94 119.74 116.03 1ekz s LYS 27 Ca 0.29 0.89 -0.19 0.00 0.02 0.00 0.00 55.97 56.98 1ekz s LYS 27 Cb -0.19 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.20 1ekz s LYS 27 CO 0.18 -0.21 0.54 0.08 -0.92 0.00 0.00 175.35 175.01 1ekz s VAL 28 N 2.04 4.97 0.02 3.17 1.01 -1.26 0.48 120.40 130.83 1ekz s VAL 28 Ca -0.05 1.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.98 1ekz s VAL 28 Cb -0.10 -3.87 -0.30 0.00 0.00 0.00 0.00 36.38 32.11 1ekz s VAL 28 CO -0.12 0.44 0.92 -0.07 0.00 0.00 0.00 175.10 176.27 1ekz h LEU 29 N 5.61 0.51 -7.00 3.92 3.38 -1.85 -3.47 115.31 116.41 1ekz h LEU 29 Ca -0.46 -0.64 0.06 0.00 0.09 0.00 0.00 57.88 56.93 1ekz h LEU 29 Cb 1.20 -0.17 -0.26 0.00 0.09 0.00 0.00 40.66 41.52 1ekz h LEU 29 CO 0.69 1.52 0.46 0.00 0.09 0.00 0.00 178.44 181.21 1ekz s ARG 30 N -2.62 0.51 -0.15 1.13 1.70 -1.26 -5.10 118.95 113.17 1ekz s ARG 30 Ca -0.09 0.55 -0.01 0.00 -0.47 0.00 0.00 55.73 55.71 1ekz s ARG 30 Cb 0.06 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.68 1ekz s ARG 30 CO 0.88 -0.07 -0.11 -1.83 -1.08 0.00 0.00 175.30 173.08 1ekz s GLU 31 N 0.09 3.39 2.10 3.89 -1.05 -1.26 -3.19 118.70 122.67 1ekz s GLU 31 Ca 0.03 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1ekz s GLU 31 Cb -0.05 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 1ekz s GLU 31 CO -0.05 0.14 0.00 -1.91 0.95 0.00 0.00 175.26 174.39 1ekz n GLU 32 N 3.74 0.00 -3.83 -4.83 4.07 -1.06 -4.96 120.64 113.78 1ekz n GLU 32 Ca -0.18 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 56.91 1ekz n GLU 32 Cb 0.52 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.91 1ekz n GLU 32 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1ekz s GLY 33 N -1.22 -0.12 0.23 8.31 0.00 -1.26 -4.69 107.32 108.57 1ekz s GLY 33 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.85 1ekz s GLY 33 CO 0.00 2.34 1.54 -0.56 0.00 0.00 0.00 173.10 176.42 1ekz h PRO 34 N 2.00 0.13 -1.51 2.90 0.13 -1.94 -3.47 132.00 130.24 1ekz h PRO 34 Ca -0.26 -0.10 0.09 0.00 -0.87 0.00 0.00 66.00 64.85 1ekz h PRO 34 Cb 1.21 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 32.09 1ekz h PRO 34 CO 0.31 0.75 0.54 0.00 -0.23 0.00 0.00 178.00 179.37 1ekz s ALA 35 N -3.57 -2.01 0.30 -0.56 0.00 -1.26 -5.15 121.76 109.51 1ekz s ALA 35 Ca -0.03 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1ekz s ALA 35 Cb 0.12 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1ekz s ALA 35 CO 0.79 -0.22 0.00 0.72 0.00 0.00 0.00 175.76 177.05 1ekz n HIS 36 N 1.92 -2.32 -3.19 0.00 8.25 -1.26 -4.90 115.22 113.71 1ekz n HIS 36 Ca -0.12 1.22 -0.20 0.00 -0.26 0.00 0.00 57.72 58.36 1ekz n HIS 36 Cb 0.56 -2.11 0.01 0.00 1.12 0.00 0.00 29.99 29.57 1ekz n HIS 36 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1ekz n MET 37 N -3.61 -1.15 -3.00 -0.41 2.00 -1.26 -4.76 117.12 104.93 1ekz n MET 37 Ca -0.02 0.66 -0.44 0.00 0.00 0.00 0.00 57.70 57.90 1ekz n MET 37 Cb 0.42 -1.47 -0.04 0.00 0.00 0.00 0.00 33.22 32.12 1ekz n MET 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1ekz s LYS 38 N -3.30 3.08 0.03 0.03 3.01 -1.26 -4.59 119.74 116.73 1ekz s LYS 38 Ca 0.09 -1.10 -0.11 0.00 -1.01 0.00 0.00 55.97 53.83 1ekz s LYS 38 Cb -0.01 -4.25 0.01 0.00 -1.01 0.00 0.00 37.83 32.58 1ekz s LYS 38 CO 0.61 -1.65 0.24 -0.80 0.51 0.00 0.00 175.35 174.26 1ekz s ASN 39 N 3.63 -0.04 -0.19 2.83 -0.87 -1.26 -4.99 114.94 114.05 1ekz s ASN 39 Ca 0.16 -0.24 -0.06 0.00 -1.57 0.00 0.00 52.86 51.15 1ekz s ASN 39 Cb -0.21 0.30 -0.03 0.00 -0.02 0.00 0.00 41.25 41.29 1ekz s ASN 39 CO 0.08 -0.54 0.02 -0.36 -2.57 0.00 0.00 177.10 173.73 1ekz s PHE 40 N -2.28 3.12 -0.45 2.20 0.40 -0.74 -2.55 117.98 117.67 1ekz s PHE 40 Ca -0.07 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1ekz s PHE 40 Cb -0.02 -2.07 0.12 0.00 0.51 0.00 0.00 43.02 41.56 1ekz s PHE 40 CO -0.02 -0.05 0.20 0.42 0.70 0.00 0.00 175.22 176.47 1ekz s ILE 41 N 0.66 2.82 -0.24 0.64 1.09 -1.19 -1.20 121.20 123.79 1ekz s ILE 41 Ca 0.01 -2.64 -0.13 0.00 -1.10 0.00 0.00 60.65 56.79 1ekz s ILE 41 Cb -0.14 -2.97 -0.04 0.00 -1.06 0.00 0.00 42.46 38.25 1ekz s ILE 41 CO 0.02 -0.72 0.29 -0.89 -0.10 0.00 0.00 174.94 173.54 1ekz s THR 42 N 0.49 5.26 0.39 2.92 2.01 -0.83 -2.40 115.64 123.47 1ekz s THR 42 Ca 0.13 0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.65 1ekz s THR 42 Cb -0.22 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1ekz s THR 42 CO -0.04 0.25 0.46 0.00 -0.69 0.00 0.00 174.62 174.60 1ekz s ALA 43 N 1.49 4.26 0.04 7.40 0.00 0.18 0.11 121.76 135.24 1ekz s ALA 43 Ca 0.13 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.13 1ekz s ALA 43 Cb -0.15 -1.42 0.07 0.00 0.00 0.00 0.00 23.12 21.62 1ekz s ALA 43 CO 0.08 -0.18 0.65 0.00 0.00 0.00 0.00 175.76 176.31 1ekz s ILE 45 N -2.30 3.70 -0.41 0.00 2.07 0.91 -0.28 121.20 124.89 1ekz s ILE 45 Ca -0.06 -0.44 0.03 0.00 -1.41 0.00 0.00 60.65 58.78 1ekz s ILE 45 Cb -0.00 -2.59 0.11 0.00 0.13 0.00 0.00 42.46 40.11 1ekz s ILE 45 CO -0.00 0.52 0.15 0.54 -1.91 0.00 0.00 174.94 174.24 1ekz s VAL 46 N 0.08 2.16 0.00 4.00 0.11 0.14 -2.17 120.40 124.72 1ekz s VAL 46 Ca -0.02 -2.62 0.00 0.00 -2.93 0.00 0.00 61.98 56.41 1ekz s VAL 46 Cb -0.14 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 1ekz s VAL 46 CO 0.03 -0.71 0.00 0.61 -3.33 0.00 0.00 175.10 171.70 1ekz n GLY 47 N 3.83 1.07 0.43 6.54 0.00 0.31 -2.05 105.19 115.31 1ekz n GLY 47 Ca 0.04 0.32 0.07 0.00 0.00 0.00 0.00 46.02 46.46 1ekz n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ekz n SER 48 N 7.94 2.19 -4.10 1.61 2.88 -1.26 -4.94 113.62 117.94 1ekz n SER 48 Ca 0.00 -3.48 -0.11 0.00 -1.33 0.00 0.00 58.87 53.95 1ekz n SER 48 Cb 0.00 -0.49 -0.11 0.00 -0.75 0.00 0.00 64.21 62.86 1ekz n SER 48 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ekz s ILE 49 N -3.06 0.53 0.06 2.46 1.01 -0.87 -5.16 121.20 116.18 1ekz s ILE 49 Ca 0.36 -1.44 0.09 0.00 0.00 0.00 0.00 60.65 59.66 1ekz s ILE 49 Cb 0.33 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 1ekz s ILE 49 CO -0.01 -0.62 -0.23 -0.69 0.00 0.00 0.00 174.94 173.39 1ekz s VAL 50 N -2.41 2.47 0.03 2.92 1.01 -1.26 0.24 120.40 123.39 1ekz s VAL 50 Ca -0.01 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 1ekz s VAL 50 Cb -0.03 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1ekz s VAL 50 CO -0.02 0.29 0.03 -0.89 0.00 0.00 0.00 175.10 174.51 1ekz s THR 51 N -0.92 0.13 0.33 3.92 2.01 0.61 -4.96 115.64 116.76 1ekz s THR 51 Ca 0.14 -1.05 0.08 0.00 0.31 0.00 0.00 61.69 61.17 1ekz s THR 51 Cb -0.10 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 1ekz s THR 51 CO 0.05 -0.58 -0.08 -1.83 -0.69 0.00 0.00 174.62 171.49 1ekz s GLU 52 N -2.11 1.74 -0.19 4.92 -1.05 -1.26 0.81 118.70 121.56 1ekz s GLU 52 Ca -0.10 -1.90 -0.04 0.00 -0.15 0.00 0.00 54.97 52.79 1ekz s GLU 52 Cb -0.05 -1.51 0.06 0.00 -0.44 0.00 0.00 34.13 32.19 1ekz s GLU 52 CO -0.03 0.10 0.06 0.20 0.95 0.00 0.00 175.26 176.54 1ekz s GLY 53 N -3.56 0.54 -0.81 -3.83 0.00 0.30 -4.64 107.32 95.32 1ekz s GLY 53 Ca 0.32 -0.54 -0.16 0.00 0.00 0.00 0.00 44.72 44.34 1ekz s GLY 53 CO 0.15 1.58 1.97 -1.84 0.00 0.00 0.00 173.10 174.97 1ekz n GLU 54 N 5.16 1.68 -1.97 2.90 0.28 -1.26 -1.97 120.64 125.45 1ekz n GLU 54 Ca -0.08 -1.68 -0.37 0.00 -0.16 0.00 0.00 57.16 54.87 1ekz n GLU 54 Cb 0.48 -2.73 0.02 0.00 1.43 0.00 0.00 31.44 30.64 1ekz n GLU 54 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ekz s GLY 55 N 4.43 2.83 0.00 -1.84 0.00 -0.34 -4.82 107.32 107.57 1ekz s GLY 55 Ca 0.50 1.15 0.12 0.00 0.00 0.00 0.00 44.72 46.48 1ekz s GLY 55 CO 0.06 1.62 1.36 0.70 0.00 0.00 0.00 173.10 176.84 1ekz n ASN 56 N -0.98 0.00 0.00 1.64 4.13 -0.68 -1.80 115.26 117.57 1ekz n ASN 56 Ca 0.10 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.76 1ekz n ASN 56 Cb 0.47 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 1ekz n ASN 56 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ekz n GLY 57 N -0.28 0.96 2.55 7.41 0.00 -0.08 -4.51 105.19 111.25 1ekz n GLY 57 Ca 0.04 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 1ekz n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ekz n LYS 58 N 0.00 2.31 0.00 1.61 5.02 -1.26 -2.94 118.16 122.90 1ekz n LYS 58 Ca 0.00 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.74 1ekz n LYS 58 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 1ekz n LYS 58 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ekz n LYS 59 N 4.07 0.00 -3.94 1.97 4.81 -1.26 -5.14 118.16 118.67 1ekz n LYS 59 Ca 0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.83 1ekz n LYS 59 Cb 0.16 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.10 1ekz n LYS 59 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ekz s VAL 60 N 0.00 0.09 0.00 3.15 1.01 -1.15 -4.94 120.40 118.56 1ekz s VAL 60 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1ekz s VAL 60 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1ekz s VAL 60 CO 0.00 -0.41 0.00 -1.20 0.00 0.00 0.00 175.10 173.49 1ekz n SER 61 N 1.75 0.00 -0.31 3.32 7.64 -1.26 -0.91 113.62 123.85 1ekz n SER 61 Ca -0.22 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.77 1ekz n SER 61 Cb 0.56 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 64.10 1ekz n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ekz h LYS 62 N 0.00 0.74 0.33 1.43 1.57 -1.93 -0.88 116.57 117.83 1ekz h LYS 62 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1ekz h LYS 62 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1ekz h LYS 62 CO 0.00 0.49 -0.16 -0.22 -0.57 0.00 0.00 179.45 178.99 1ekz h LYS 63 N 0.76 -0.43 -0.98 3.15 3.64 -1.95 0.61 116.57 121.36 1ekz h LYS 63 Ca 0.49 0.03 0.31 0.00 -1.27 0.00 0.00 60.65 60.21 1ekz h LYS 63 Cb 0.74 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.50 1ekz h LYS 63 CO -0.25 -0.29 0.51 -0.09 -2.27 0.00 0.00 179.45 177.06 1ekz h ARG 64 N -0.61 0.28 -0.23 1.90 2.43 -1.85 0.56 114.38 116.87 1ekz h ARG 64 Ca -0.05 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1ekz h ARG 64 Cb 0.34 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1ekz h ARG 64 CO 0.08 0.18 -0.22 0.00 -1.51 0.00 0.00 179.97 178.50 1ekz h ALA 65 N 1.85 0.33 0.33 2.80 0.00 -1.14 -2.51 119.26 120.92 1ekz h ALA 65 Ca 0.71 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ekz h ALA 65 Cb 1.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ekz h ALA 65 CO -0.63 0.29 -0.16 0.00 0.00 0.00 0.00 179.25 178.75 1ekz h ALA 66 N 0.67 -0.44 -1.01 0.00 0.00 0.22 -2.30 119.26 116.41 1ekz h ALA 66 Ca 0.04 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.96 1ekz h ALA 66 Cb 0.77 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 1ekz h ALA 66 CO 0.06 -0.59 0.61 0.93 0.00 0.00 0.00 179.25 180.25 1ekz h GLU 67 N -0.76 0.75 -0.30 0.00 4.39 -0.24 0.27 114.58 118.69 1ekz h GLU 67 Ca -0.05 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1ekz h GLU 67 Cb 0.51 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1ekz h GLU 67 CO 0.07 0.49 0.18 0.87 -1.16 0.00 0.00 179.01 179.47 1ekz h LYS 68 N 0.77 0.36 -0.58 2.33 1.57 -1.32 0.08 116.57 119.78 1ekz h LYS 68 Ca 0.58 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.35 1ekz h LYS 68 Cb 0.90 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 1ekz h LYS 68 CO -0.38 0.24 0.38 0.52 -0.57 0.00 0.00 179.45 179.64 1ekz h MET 69 N 0.37 0.76 0.32 3.15 2.86 0.00 -0.82 114.93 121.57 1ekz h MET 69 Ca 0.12 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1ekz h MET 69 Cb -0.01 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1ekz h MET 69 CO -0.05 0.50 -0.24 -0.07 1.06 0.00 0.00 176.91 178.11 1ekz h LEU 70 N 0.78 -0.62 -2.43 1.22 3.38 -0.20 0.41 115.31 117.84 1ekz h LEU 70 Ca 0.22 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1ekz h LEU 70 Cb -0.08 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ekz h LEU 70 CO -0.05 -0.37 0.07 -0.37 0.09 0.00 0.00 178.44 177.81 1ekz h VAL 71 N -0.56 0.45 0.06 1.22 -1.51 -0.79 0.34 116.25 115.47 1ekz h VAL 71 Ca -0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1ekz h VAL 71 Cb 0.49 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1ekz h VAL 71 CO -0.00 0.00 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.23 1ekz h GLU 72 N 0.00 -0.08 0.00 5.19 4.57 0.40 -3.33 114.58 121.33 1ekz h GLU 72 Ca 0.03 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1ekz h GLU 72 Cb 0.17 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1ekz h GLU 72 CO -0.00 -0.05 -0.03 1.37 -1.18 0.00 0.00 179.01 179.12 1ekz h LEU 73 N -0.66 0.00 -1.00 1.64 8.10 -0.13 -1.64 115.31 121.63 1ekz h LEU 73 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1ekz h LEU 73 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1ekz h LEU 73 CO 0.01 0.03 0.00 0.00 -4.11 0.00 0.00 178.44 174.37 1ekz n GLN 74 N -3.25 1.36 -0.00 0.17 1.13 0.12 -3.22 117.38 113.69 1ekz n GLN 74 Ca -0.02 -0.33 0.01 0.00 -1.94 0.00 0.00 57.00 54.72 1ekz n GLN 74 Cb 0.18 -1.43 -0.01 0.00 0.11 0.00 0.00 30.24 29.08 1ekz n GLN 74 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ekz n LYS 75 N -0.03 4.34 0.00 -1.09 4.81 -0.62 -5.00 118.16 120.58 1ekz n LYS 75 Ca 0.03 -0.01 0.09 0.00 -0.87 0.00 0.00 58.31 57.55 1ekz n LYS 75 Cb 0.27 -0.74 0.07 0.00 0.02 0.00 0.00 35.03 34.66 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85