#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 1.00 -3.28 3.17 9.92 -1.26 -4.96 116.55 121.15 1ekz n ASP 2 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1ekz n ASP 2 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1ekz n ASP 2 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ekz n GLU 3 N 0.00 -1.43 0.00 -1.24 4.07 -1.26 -4.96 120.64 115.82 1ekz n GLU 3 Ca 0.00 1.22 0.00 0.00 -0.06 0.00 0.00 57.16 58.32 1ekz n GLU 3 Cb 0.00 -4.91 0.00 0.00 -0.06 0.00 0.00 31.44 26.47 1ekz n GLU 3 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ekz n GLY 4 N -1.70 0.56 3.77 8.31 0.00 -1.26 -5.13 105.19 109.75 1ekz n GLY 4 Ca -0.08 0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1ekz n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ekz n ASP 5 N 0.00 3.84 0.00 1.61 8.00 -1.26 -4.91 116.55 123.84 1ekz n ASP 5 Ca 0.00 1.22 0.00 0.00 0.71 0.00 0.00 54.79 56.72 1ekz n ASP 5 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.48 1ekz n ASP 5 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ekz n LYS 6 N 0.69 0.00 -4.08 -1.24 5.02 -1.26 -5.09 118.16 112.20 1ekz n LYS 6 Ca 0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 1ekz n LYS 6 Cb 0.39 -0.68 -0.12 0.00 -0.02 0.00 0.00 35.03 34.60 1ekz n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ekz s LYS 7 N -1.73 0.49 0.02 1.97 1.02 -1.26 -5.13 119.74 115.12 1ekz s LYS 7 Ca 0.00 -0.60 -0.24 0.00 0.02 0.00 0.00 55.97 55.16 1ekz s LYS 7 Cb 0.00 -0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 36.95 1ekz s LYS 7 CO 0.00 0.06 0.71 0.45 -0.92 0.00 0.00 175.35 175.66 1ekz s SER 8 N -1.18 7.13 -0.01 2.83 0.15 -1.26 -4.97 113.70 116.38 1ekz s SER 8 Ca -0.07 1.35 -0.21 0.00 0.70 0.00 0.00 55.95 57.71 1ekz s SER 8 Cb -0.08 -2.43 -0.23 0.00 -1.71 0.00 0.00 66.02 61.57 1ekz s SER 8 CO 0.00 0.03 1.09 1.55 1.20 0.00 0.00 173.24 177.11 1ekz h PRO 9 N 5.73 0.33 -0.35 5.44 0.13 -1.97 -2.67 132.00 138.63 1ekz h PRO 9 Ca -0.44 -0.34 0.03 0.00 -0.87 0.00 0.00 66.00 64.39 1ekz h PRO 9 Cb 1.20 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1ekz h PRO 9 CO 0.71 1.02 0.15 0.82 -0.23 0.00 0.00 178.00 180.47 1ekz h ILE 10 N -0.24 0.94 0.26 -3.56 2.04 -1.94 0.59 117.51 115.61 1ekz h ILE 10 Ca -0.05 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1ekz h ILE 10 Cb 1.17 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1ekz h ILE 10 CO 0.09 0.06 -0.12 0.77 0.00 0.00 0.00 178.15 178.94 1ekz h SER 11 N 0.32 -0.29 -0.74 1.72 4.64 -1.99 0.62 113.55 117.83 1ekz h SER 11 Ca 0.15 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1ekz h SER 11 Cb 0.10 0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 1ekz h SER 11 CO -0.13 -0.15 0.45 1.56 -0.87 0.00 0.00 176.83 177.69 1ekz h GLN 12 N -0.42 0.84 -0.61 4.77 4.20 -1.18 0.32 115.11 123.03 1ekz h GLN 12 Ca -0.04 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1ekz h GLN 12 Cb 0.32 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1ekz h GLN 12 CO 0.06 0.55 0.24 0.28 -0.67 0.00 0.00 178.83 179.29 1ekz h VAL 13 N 0.86 1.23 -0.85 -0.54 2.07 0.49 -1.14 116.25 118.37 1ekz h VAL 13 Ca 0.31 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1ekz h VAL 13 Cb 0.09 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1ekz h VAL 13 CO -0.14 0.28 0.54 0.45 0.02 0.00 0.00 177.57 178.72 1ekz h HIS 14 N 0.85 1.01 0.79 1.57 3.86 0.17 -2.02 115.15 121.38 1ekz h HIS 14 Ca 0.20 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1ekz h HIS 14 Cb 0.21 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.36 1ekz h HIS 14 CO 0.01 0.55 -0.39 1.49 0.86 0.00 0.00 177.93 180.46 1ekz h GLU 15 N 1.03 -1.03 -0.89 2.45 4.81 0.36 0.51 114.58 121.81 1ekz h GLU 15 Ca 0.35 0.07 0.24 0.00 -0.13 0.00 0.00 59.36 59.89 1ekz h GLU 15 Cb 0.07 0.23 -0.14 0.00 0.63 0.00 0.00 28.75 29.55 1ekz h GLU 15 CO -0.14 -0.69 0.33 0.82 -0.73 0.00 0.00 179.01 178.60 1ekz h ILE 16 N -1.07 0.38 0.05 2.32 1.08 -0.89 -0.84 117.51 118.53 1ekz h ILE 16 Ca -0.11 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1ekz h ILE 16 Cb 0.83 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1ekz h ILE 16 CO 0.17 0.05 -0.02 1.23 -0.69 0.00 0.00 178.15 178.89 1ekz h GLY 17 N 0.29 -0.07 -4.12 5.37 0.00 -1.07 -3.26 103.07 100.21 1ekz h GLY 17 Ca 0.57 0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.70 1ekz h GLY 17 CO -0.60 -0.03 -0.00 1.39 0.00 0.00 0.00 176.54 177.30 1ekz n ILE 18 N -4.82 3.02 0.00 2.60 2.08 0.18 -2.43 119.36 119.99 1ekz n ILE 18 Ca -0.09 -1.55 0.00 0.00 0.56 0.00 0.00 62.75 61.68 1ekz n ILE 18 Cb 0.30 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 1ekz n ILE 18 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1ekz n LYS 19 N 2.61 0.00 0.00 0.38 0.00 -0.86 -4.84 118.16 115.45 1ekz n LYS 19 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.76 1ekz n LYS 19 Cb 0.83 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 35.73 1ekz n LYS 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ekz n ARG 20 N -2.01 0.00 0.00 1.64 1.74 -1.23 -5.02 116.66 111.77 1ekz n ARG 20 Ca 0.00 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1ekz n ARG 20 Cb 0.00 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1ekz n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ekz n ASN 21 N -2.08 0.00 -3.75 0.55 5.15 -1.24 -5.14 115.26 108.75 1ekz n ASN 21 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 1ekz n ASN 21 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 1ekz n ASN 21 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1ekz s MET 22 N 0.00 0.09 0.57 1.20 -1.94 -1.02 -4.82 119.30 113.38 1ekz s MET 22 Ca 0.00 0.36 -0.16 0.00 -1.71 0.00 0.00 55.69 54.18 1ekz s MET 22 Cb 0.00 -0.17 -0.05 0.00 2.01 0.00 0.00 34.83 36.62 1ekz s MET 22 CO 0.00 -0.16 1.05 0.99 -0.01 0.00 0.00 175.02 176.89 1ekz s THR 23 N 1.14 3.89 -0.25 2.05 2.01 -1.26 -3.88 115.64 119.33 1ekz s THR 23 Ca -0.09 0.94 0.00 0.00 0.31 0.00 0.00 61.69 62.85 1ekz s THR 23 Cb -0.11 -3.43 0.07 0.00 0.01 0.00 0.00 72.50 69.04 1ekz s THR 23 CO -0.06 -0.49 0.01 -0.69 -0.69 0.00 0.00 174.62 172.71 1ekz s VAL 24 N -2.40 1.27 -0.19 3.82 1.01 -1.26 -1.41 120.40 121.24 1ekz s VAL 24 Ca 0.64 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1ekz s VAL 24 Cb -0.15 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1ekz s VAL 24 CO 0.34 -0.30 -0.14 -1.00 0.00 0.00 0.00 175.10 173.99 1ekz s HIS 25 N 1.48 2.84 -0.09 5.22 3.76 -0.17 -4.95 115.29 123.37 1ekz s HIS 25 Ca 0.00 -1.29 0.02 0.00 -0.15 0.00 0.00 55.06 53.64 1ekz s HIS 25 Cb -0.18 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 1ekz s HIS 25 CO -0.11 -0.65 -0.14 -0.06 -0.85 0.00 0.00 174.74 172.93 1ekz s PHE 26 N 1.24 2.76 -0.21 1.40 0.40 -1.26 0.20 117.98 122.50 1ekz s PHE 26 Ca 0.03 -0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 55.82 1ekz s PHE 26 Cb -0.14 -1.74 0.06 0.00 0.51 0.00 0.00 43.02 41.72 1ekz s PHE 26 CO -0.07 -0.02 0.53 0.21 0.70 0.00 0.00 175.22 176.57 1ekz s LYS 27 N -0.18 0.55 0.37 0.44 2.20 0.12 -4.99 119.74 118.25 1ekz s LYS 27 Ca -0.00 0.91 -0.24 0.00 -0.36 0.00 0.00 55.97 56.27 1ekz s LYS 27 Cb -0.13 0.11 -0.10 0.00 -1.51 0.00 0.00 37.83 36.20 1ekz s LYS 27 CO 0.03 -0.13 0.96 0.08 -0.36 0.00 0.00 175.35 175.93 1ekz s VAL 28 N 1.16 4.21 -0.15 4.02 1.01 -1.26 0.48 120.40 129.87 1ekz s VAL 28 Ca -0.07 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.46 1ekz s VAL 28 Cb -0.06 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1ekz s VAL 28 CO -0.11 -0.02 -0.17 0.18 0.00 0.00 0.00 175.10 174.98 1ekz n LEU 29 N 0.10 1.83 0.00 3.92 4.77 0.12 -4.85 117.00 122.88 1ekz n LEU 29 Ca 0.04 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1ekz n LEU 29 Cb 0.51 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1ekz n LEU 29 CO 0.42 -0.38 0.00 -1.14 -1.33 0.00 0.00 177.39 174.96 1ekz n ARG 30 N -4.58 -0.89 -4.14 3.23 0.63 -1.26 -5.08 116.66 104.57 1ekz n ARG 30 Ca -0.11 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.60 1ekz n ARG 30 Cb 0.34 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.19 1ekz n ARG 30 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ekz s GLU 31 N -0.08 2.58 -1.38 -0.14 8.01 -1.26 -3.58 118.70 122.86 1ekz s GLU 31 Ca 0.00 -1.30 -0.12 0.00 0.01 0.00 0.00 54.97 53.57 1ekz s GLU 31 Cb 0.00 -2.34 -0.05 0.00 -4.31 0.00 0.00 34.13 27.43 1ekz s GLU 31 CO 0.00 0.30 2.50 0.39 0.01 0.00 0.00 175.26 178.46 1ekz n GLU 32 N -1.10 2.96 0.00 1.61 -0.58 -1.24 -4.83 120.64 117.46 1ekz n GLU 32 Ca -0.06 -2.17 0.00 0.00 -0.42 0.00 0.00 57.16 54.51 1ekz n GLU 32 Cb 0.59 -2.91 0.00 0.00 -0.57 0.00 0.00 31.44 28.55 1ekz n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ekz n GLY 33 N 3.87 -0.55 0.00 0.62 0.00 -1.26 -4.90 105.19 102.96 1ekz n GLY 33 Ca 0.62 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1ekz n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ekz n PRO 34 N 0.00 0.00 -3.33 1.61 -0.04 -1.26 -4.98 135.00 126.99 1ekz n PRO 34 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1ekz n PRO 34 Cb 0.00 -0.07 -0.07 0.00 -0.04 0.00 0.00 33.50 33.32 1ekz n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ekz s ALA 35 N -3.71 -1.00 -0.37 0.55 0.00 -1.26 -5.01 121.76 110.96 1ekz s ALA 35 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 1ekz s ALA 35 Cb 0.00 -1.99 0.21 0.00 0.00 0.00 0.00 23.12 21.34 1ekz s ALA 35 CO 0.00 -1.73 1.06 1.58 0.00 0.00 0.00 175.76 176.66 1ekz n HIS 36 N 5.34 -1.17 -3.06 0.00 -0.00 -1.26 -5.05 115.22 110.02 1ekz n HIS 36 Ca -0.00 -0.77 -0.15 0.00 -0.00 0.00 0.00 57.72 56.80 1ekz n HIS 36 Cb 0.48 1.15 0.02 0.00 -0.00 0.00 0.00 29.99 31.64 1ekz n HIS 36 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1ekz n MET 37 N 2.57 -2.21 -3.75 1.57 1.56 -1.26 -5.04 117.12 110.57 1ekz n MET 37 Ca 0.12 1.89 -0.13 0.00 -0.27 0.00 0.00 57.70 59.30 1ekz n MET 37 Cb 0.64 -4.02 -0.10 0.00 2.15 0.00 0.00 33.22 31.89 1ekz n MET 37 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1ekz s LYS 38 N -2.20 0.54 0.80 2.12 1.02 -1.26 -5.09 119.74 115.68 1ekz s LYS 38 Ca 0.22 0.22 -0.10 0.00 0.02 0.00 0.00 55.97 56.32 1ekz s LYS 38 Cb -0.04 0.25 0.10 0.00 -0.52 0.00 0.00 37.83 37.62 1ekz s LYS 38 CO 0.71 -0.11 1.14 -0.80 -0.92 0.00 0.00 175.35 175.37 1ekz s ASN 39 N -0.46 4.29 0.16 2.83 -0.87 -1.26 -4.84 114.94 114.80 1ekz s ASN 39 Ca -0.06 0.47 0.02 0.00 -1.57 0.00 0.00 52.86 51.73 1ekz s ASN 39 Cb -0.04 -0.91 0.02 0.00 -0.02 0.00 0.00 41.25 40.30 1ekz s ASN 39 CO 0.02 -1.98 0.17 0.49 -2.57 0.00 0.00 177.10 173.24 1ekz n PHE 40 N -3.25 -1.96 -3.30 2.20 3.01 -0.71 -3.66 117.46 109.79 1ekz n PHE 40 Ca 0.10 -0.65 -0.06 0.00 1.01 0.00 0.00 57.45 57.85 1ekz n PHE 40 Cb 0.60 -0.14 -0.06 0.00 -0.01 0.00 0.00 39.48 39.87 1ekz n PHE 40 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1ekz s ILE 41 N -0.45 -0.69 -0.22 4.37 1.10 -1.03 -4.29 121.20 119.99 1ekz s ILE 41 Ca 0.13 -0.08 -0.05 0.00 -0.51 0.00 0.00 60.65 60.15 1ekz s ILE 41 Cb -0.01 -0.87 -0.02 0.00 0.15 0.00 0.00 42.46 41.71 1ekz s ILE 41 CO 0.08 -0.11 -0.01 -0.89 -2.11 0.00 0.00 174.94 171.90 1ekz s THR 42 N 2.61 3.68 0.21 4.00 2.01 0.14 -0.71 115.64 127.59 1ekz s THR 42 Ca 0.14 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1ekz s THR 42 Cb -0.15 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.63 1ekz s THR 42 CO -0.19 0.41 0.46 0.00 -0.69 0.00 0.00 174.62 174.62 1ekz s ALA 43 N 1.40 3.71 -0.04 7.40 0.00 0.18 0.34 121.76 134.75 1ekz s ALA 43 Ca 0.05 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1ekz s ALA 43 Cb -0.14 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.77 1ekz s ALA 43 CO -0.01 0.48 0.15 0.00 0.00 0.00 0.00 175.76 176.38 1ekz s ILE 45 N -0.40 1.44 0.44 0.00 2.07 0.13 -0.08 121.20 124.79 1ekz s ILE 45 Ca -0.05 -0.91 0.08 0.00 -1.41 0.00 0.00 60.65 58.36 1ekz s ILE 45 Cb -0.03 -1.22 -0.01 0.00 0.13 0.00 0.00 42.46 41.33 1ekz s ILE 45 CO 0.01 0.29 0.43 -0.69 -1.91 0.00 0.00 174.94 173.07 1ekz s VAL 46 N -0.58 2.57 0.27 4.00 1.01 0.22 -1.00 120.40 126.89 1ekz s VAL 46 Ca 0.06 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.77 1ekz s VAL 46 Cb -0.07 -2.87 0.36 0.00 0.00 0.00 0.00 36.38 33.79 1ekz s VAL 46 CO 0.00 0.00 1.34 0.61 0.00 0.00 0.00 175.10 177.05 1ekz n GLY 47 N -1.64 -1.15 2.60 4.51 0.00 -0.50 -2.38 105.19 106.63 1ekz n GLY 47 Ca 0.04 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1ekz n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ekz n SER 48 N -5.22 1.19 -3.80 1.61 3.41 -1.26 -4.80 113.62 104.75 1ekz n SER 48 Ca 0.20 -2.03 -0.11 0.00 -0.26 0.00 0.00 58.87 56.67 1ekz n SER 48 Cb 0.67 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 1ekz n SER 48 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ekz s ILE 49 N -2.86 0.10 -0.01 -1.33 -1.09 -1.00 -5.17 121.20 109.84 1ekz s ILE 49 Ca 0.26 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 57.93 1ekz s ILE 49 Cb 0.34 -0.93 -0.01 0.00 -1.58 0.00 0.00 42.46 40.28 1ekz s ILE 49 CO -0.07 -0.44 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.39 1ekz s VAL 50 N -2.57 1.03 0.14 2.92 1.01 -1.26 0.72 120.40 122.38 1ekz s VAL 50 Ca -0.05 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1ekz s VAL 50 Cb -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1ekz s VAL 50 CO -0.04 0.29 0.22 -0.89 0.00 0.00 0.00 175.10 174.69 1ekz s THR 51 N -0.31 0.10 0.34 3.92 2.01 0.88 -4.99 115.64 117.59 1ekz s THR 51 Ca 0.05 -1.40 0.04 0.00 0.31 0.00 0.00 61.69 60.69 1ekz s THR 51 Cb -0.05 -1.72 -0.07 0.00 0.01 0.00 0.00 72.50 70.68 1ekz s THR 51 CO -0.00 -0.43 0.05 -1.83 -0.69 0.00 0.00 174.62 171.71 1ekz s GLU 52 N -3.95 1.70 -0.26 4.92 -1.05 -1.26 -0.01 118.70 118.80 1ekz s GLU 52 Ca 0.14 -1.95 -0.04 0.00 -0.15 0.00 0.00 54.97 52.98 1ekz s GLU 52 Cb 0.04 -0.98 0.14 0.00 -0.44 0.00 0.00 34.13 32.89 1ekz s GLU 52 CO -0.03 -0.17 0.49 0.20 0.95 0.00 0.00 175.26 176.70 1ekz s GLY 53 N -3.52 -0.62 0.00 -3.83 0.00 0.15 -4.79 107.32 94.72 1ekz s GLY 53 Ca 0.36 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.61 1ekz s GLY 53 CO 0.16 2.87 0.57 -2.21 0.00 0.00 0.00 173.10 174.49 1ekz n GLU 54 N 5.40 0.00 -1.82 2.90 0.00 -1.26 0.28 120.64 126.14 1ekz n GLU 54 Ca -0.05 0.34 -0.00 0.00 0.00 0.00 0.00 57.16 57.44 1ekz n GLU 54 Cb 0.50 -1.07 -0.00 0.00 0.00 0.00 0.00 31.44 30.86 1ekz n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ekz n GLY 55 N -0.80 -3.28 0.16 8.31 0.00 -1.26 -2.45 105.19 105.87 1ekz n GLY 55 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1ekz n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ekz n ASN 56 N 0.23 -0.42 -3.64 1.61 5.15 -1.26 -1.93 115.26 115.00 1ekz n ASN 56 Ca -0.02 0.95 -0.03 0.00 -0.60 0.00 0.00 54.58 54.89 1ekz n ASN 56 Cb 0.03 -0.22 -0.05 0.00 -0.53 0.00 0.00 39.78 39.01 1ekz n ASN 56 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1ekz s GLY 57 N -2.02 0.13 0.00 8.20 0.00 -1.26 -1.73 107.32 110.64 1ekz s GLY 57 Ca -0.05 2.95 0.00 0.00 0.00 0.00 0.00 44.72 47.63 1ekz s GLY 57 CO 0.24 1.32 0.00 1.17 0.00 0.00 0.00 173.10 175.84 1ekz n LYS 58 N 0.82 0.00 0.00 2.90 3.00 -1.26 -4.54 118.16 119.08 1ekz n LYS 58 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1ekz n LYS 58 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 1ekz n LYS 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ekz n LYS 59 N 0.00 3.08 0.00 1.64 4.81 -1.26 -4.62 118.16 121.81 1ekz n LYS 59 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ekz n LYS 59 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ekz n LYS 59 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ekz n VAL 60 N 0.00 0.00 -0.11 3.15 0.31 -1.26 -4.40 118.33 116.02 1ekz n VAL 60 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1ekz n VAL 60 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1ekz n VAL 60 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1ekz h SER 61 N 0.00 -1.09 0.07 4.52 4.64 -1.82 1.47 113.55 121.35 1ekz h SER 61 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1ekz h SER 61 Cb 0.00 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1ekz h SER 61 CO 0.00 -0.21 0.00 0.29 -0.87 0.00 0.00 176.83 176.04 1ekz n LYS 62 N -4.22 0.08 -0.08 4.77 5.02 -1.26 -0.93 118.16 121.55 1ekz n LYS 62 Ca -0.01 0.55 -0.08 0.00 -2.02 0.00 0.00 58.31 56.75 1ekz n LYS 62 Cb 0.18 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 1ekz n LYS 62 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ekz n LYS 63 N -1.93 0.48 -0.17 1.97 0.00 0.10 -3.91 118.16 114.71 1ekz n LYS 63 Ca -0.00 0.19 -0.03 0.00 0.00 0.00 0.00 58.31 58.46 1ekz n LYS 63 Cb 0.04 -1.35 0.06 0.00 0.00 0.00 0.00 35.03 33.78 1ekz n LYS 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1ekz h ARG 64 N -0.91 0.47 -0.29 1.64 9.65 0.18 0.44 114.38 125.56 1ekz h ARG 64 Ca 0.00 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1ekz h ARG 64 Cb 0.91 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.37 1ekz h ARG 64 CO 0.00 0.31 0.17 0.00 2.80 0.00 0.00 179.97 183.25 1ekz h ALA 65 N 1.30 0.36 -0.45 2.80 0.00 -1.17 -2.50 119.26 119.60 1ekz h ALA 65 Ca 0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ekz h ALA 65 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ekz h ALA 65 CO -0.19 -0.20 -0.14 0.00 0.00 0.00 0.00 179.25 178.73 1ekz h ALA 66 N 1.12 0.91 -0.25 0.00 0.00 -1.52 -2.62 119.26 116.91 1ekz h ALA 66 Ca 0.11 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1ekz h ALA 66 Cb -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1ekz h ALA 66 CO -0.05 0.63 -0.12 0.93 0.00 0.00 0.00 179.25 180.64 1ekz h GLU 67 N 0.75 -0.09 -0.59 0.00 5.08 0.28 0.48 114.58 120.50 1ekz h GLU 67 Ca 0.12 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1ekz h GLU 67 Cb 0.65 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1ekz h GLU 67 CO 0.05 -0.06 0.08 -0.22 -1.00 0.00 0.00 179.01 177.86 1ekz h LYS 68 N -0.09 0.98 -0.51 2.33 3.64 -1.43 -2.32 116.57 119.17 1ekz h LYS 68 Ca 0.13 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1ekz h LYS 68 Cb 0.29 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1ekz h LYS 68 CO -0.30 0.94 0.18 1.98 -2.27 0.00 0.00 179.45 179.97 1ekz h MET 69 N 0.88 0.79 -0.18 1.90 4.05 -0.96 -2.38 114.93 119.04 1ekz h MET 69 Ca 0.18 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1ekz h MET 69 Cb 0.44 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1ekz h MET 69 CO 0.01 0.72 0.11 -0.07 0.23 0.00 0.00 176.91 177.91 1ekz h LEU 70 N 0.70 0.21 -2.11 3.39 3.38 0.10 0.28 115.31 121.26 1ekz h LEU 70 Ca 0.17 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ekz h LEU 70 Cb 0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ekz h LEU 70 CO -0.01 0.18 -0.02 -0.37 0.09 0.00 0.00 178.44 178.30 1ekz h VAL 71 N 0.22 0.85 0.13 1.22 -1.51 -1.32 0.19 116.25 116.03 1ekz h VAL 71 Ca 0.06 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 1ekz h VAL 71 Cb 0.00 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 1ekz h VAL 71 CO -0.01 0.02 -0.06 -0.33 -1.23 0.00 0.00 177.57 175.96 1ekz h GLU 72 N 0.00 -0.16 -0.22 5.19 5.08 -0.76 -3.27 114.58 120.44 1ekz h GLU 72 Ca -0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1ekz h GLU 72 Cb 0.04 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ekz h GLU 72 CO 0.00 -0.08 0.32 -0.07 -1.00 0.00 0.00 179.01 178.18 1ekz h LEU 73 N -1.04 0.00 -1.47 1.33 4.07 -0.29 -0.61 115.31 117.30 1ekz h LEU 73 Ca -0.02 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.07 1ekz h LEU 73 Cb 0.16 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 1ekz h LEU 73 CO 0.03 0.00 0.51 -0.61 -1.08 0.00 0.00 178.44 177.29 1ekz h GLN 74 N 0.00 0.53 0.00 1.13 4.15 -0.67 -3.11 115.11 117.14 1ekz h GLN 74 Ca 0.10 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.30 1ekz h GLN 74 Cb 0.73 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.27 1ekz h GLN 74 CO -0.00 0.35 -1.70 1.63 -1.93 0.00 0.00 178.83 177.18 1ekz n LYS 75 N -4.50 2.13 0.00 1.69 5.02 -0.37 -5.12 118.16 117.01 1ekz n LYS 75 Ca 0.14 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.56 1ekz n LYS 75 Cb 0.45 -1.26 0.25 0.00 -0.02 0.00 0.00 35.03 34.45 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16