#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekz s ASP 2 N 0.00 1.14 0.39 7.83 1.11 -1.26 -5.15 116.67 120.73 1ekz s ASP 2 Ca 0.00 -0.01 0.08 0.00 0.18 0.00 0.00 52.55 52.79 1ekz s ASP 2 Cb 0.00 -0.28 -0.07 0.00 1.07 0.00 0.00 42.92 43.63 1ekz s ASP 2 CO 0.00 -0.19 0.02 -1.61 1.18 0.00 0.00 175.17 174.57 1ekz s GLU 3 N 1.79 1.98 -0.48 8.23 2.02 -1.26 -5.09 118.70 125.89 1ekz s GLU 3 Ca 0.01 -2.01 0.08 0.00 0.02 0.00 0.00 54.97 53.06 1ekz s GLU 3 Cb -0.13 -1.72 0.28 0.00 0.10 0.00 0.00 34.13 32.66 1ekz s GLU 3 CO -0.04 -0.01 0.67 0.41 0.02 0.00 0.00 175.26 176.31 1ekz n GLY 4 N -0.98 3.88 0.11 -1.39 0.00 -1.26 -4.91 105.19 100.64 1ekz n GLY 4 Ca -0.04 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.67 1ekz n GLY 4 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ekz n ASP 5 N 0.87 1.88 -2.68 1.61 5.75 -1.26 -5.06 116.55 117.66 1ekz n ASP 5 Ca 0.25 0.40 -0.06 0.00 -0.01 0.00 0.00 54.79 55.37 1ekz n ASP 5 Cb 0.50 -0.95 0.01 0.00 -1.03 0.00 0.00 41.12 39.65 1ekz n ASP 5 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1ekz n LYS 6 N -4.37 -2.01 -0.82 0.11 4.81 -1.26 -4.75 118.16 109.87 1ekz n LYS 6 Ca -0.34 1.88 -0.40 0.00 -0.87 0.00 0.00 58.31 58.57 1ekz n LYS 6 Cb 0.72 -5.14 -0.07 0.00 0.02 0.00 0.00 35.03 30.55 1ekz n LYS 6 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ekz n LYS 7 N -0.42 0.90 -0.25 1.64 5.02 -1.26 -4.72 118.16 119.07 1ekz n LYS 7 Ca 0.10 -1.44 0.02 0.00 -2.02 0.00 0.00 58.31 54.97 1ekz n LYS 7 Cb 0.41 -2.68 -0.01 0.00 -0.02 0.00 0.00 35.03 32.72 1ekz n LYS 7 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ekz n SER 8 N 7.70 -1.36 -0.04 4.39 2.88 -1.26 -4.45 113.62 121.47 1ekz n SER 8 Ca 0.46 0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 58.17 1ekz n SER 8 Cb 0.37 -0.55 -0.09 0.00 -0.75 0.00 0.00 64.21 63.19 1ekz n SER 8 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ekz h PRO 9 N -0.15 -0.03 -0.54 -1.46 0.13 -1.92 -3.23 132.00 124.80 1ekz h PRO 9 Ca -0.02 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.22 1ekz h PRO 9 Cb 0.21 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.26 1ekz h PRO 9 CO 0.01 0.62 0.03 0.82 -0.23 0.00 0.00 178.00 179.25 1ekz h ILE 10 N -0.95 0.59 0.45 -3.56 2.04 -1.89 0.49 117.51 114.68 1ekz h ILE 10 Ca -0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1ekz h ILE 10 Cb 0.67 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1ekz h ILE 10 CO 0.01 0.03 -0.49 0.77 0.00 0.00 0.00 178.15 178.46 1ekz h SER 11 N 0.15 -1.35 -0.87 1.72 4.64 -1.78 0.19 113.55 116.23 1ekz h SER 11 Ca 0.28 0.11 0.10 0.00 -0.47 0.00 0.00 61.79 61.81 1ekz h SER 11 Cb 0.42 0.45 -0.06 0.00 -0.31 0.00 0.00 62.40 62.90 1ekz h SER 11 CO -0.44 -0.63 0.57 1.56 -0.87 0.00 0.00 176.83 177.02 1ekz h GLN 12 N -0.95 0.81 -0.55 4.77 4.20 -1.48 0.49 115.11 122.40 1ekz h GLN 12 Ca -0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1ekz h GLN 12 Cb 0.83 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 1ekz h GLN 12 CO -0.08 0.53 0.27 0.28 -0.67 0.00 0.00 178.83 179.16 1ekz h VAL 13 N 0.83 1.20 -0.59 -0.54 2.07 -0.21 0.29 116.25 119.29 1ekz h VAL 13 Ca 0.41 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 1ekz h VAL 13 Cb 0.46 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1ekz h VAL 13 CO -0.18 0.22 -0.03 0.45 0.02 0.00 0.00 177.57 178.06 1ekz h HIS 14 N 0.74 1.17 0.49 1.57 3.86 0.12 -0.39 115.15 122.71 1ekz h HIS 14 Ca 0.19 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1ekz h HIS 14 Cb 0.11 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1ekz h HIS 14 CO -0.01 1.04 -0.24 0.93 0.86 0.00 0.00 177.93 180.52 1ekz h GLU 15 N 0.97 -0.64 -0.68 2.45 5.08 0.67 0.38 114.58 122.80 1ekz h GLU 15 Ca 0.17 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1ekz h GLU 15 Cb 0.60 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1ekz h GLU 15 CO 0.04 -0.42 0.30 0.97 -1.00 0.00 0.00 179.01 178.90 1ekz h ILE 16 N -0.66 1.23 0.19 3.13 6.09 -0.40 0.65 117.51 127.74 1ekz h ILE 16 Ca -0.07 -0.67 -0.01 0.00 -1.37 0.00 0.00 64.86 62.75 1ekz h ILE 16 Cb 0.51 0.38 0.00 0.00 0.47 0.00 0.00 36.82 38.18 1ekz h ILE 16 CO 0.11 0.28 -0.09 1.23 -3.07 0.00 0.00 178.15 176.60 1ekz h GLY 17 N 1.05 -0.27 0.99 8.18 0.00 -0.79 -0.79 103.07 111.44 1ekz h GLY 17 Ca 0.23 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 1ekz h GLY 17 CO -0.03 -0.10 0.30 -2.22 0.00 0.00 0.00 176.54 174.50 1ekz h ILE 18 N -0.51 1.21 0.00 2.60 2.04 -0.04 0.73 117.51 123.54 1ekz h ILE 18 Ca -0.03 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1ekz h ILE 18 Cb 0.39 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1ekz h ILE 18 CO 0.04 0.23 0.00 0.11 0.00 0.00 0.00 178.15 178.54 1ekz h LYS 19 N 0.82 0.00 -0.04 2.37 1.57 0.45 -2.04 116.57 119.70 1ekz h LYS 19 Ca 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1ekz h LYS 19 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ekz h LYS 19 CO -0.03 0.00 -0.08 -2.13 -0.57 0.00 0.00 179.45 176.64 1ekz n ARG 20 N -2.50 1.52 -3.61 3.15 3.00 -0.31 -4.97 116.66 112.93 1ekz n ARG 20 Ca -0.01 -2.74 -0.26 0.00 -0.00 0.00 0.00 57.85 54.85 1ekz n ARG 20 Cb 0.11 -1.57 0.05 0.00 0.00 0.00 0.00 32.46 31.05 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 -1.28 -5.69 -4.54 6.15 5.15 -0.56 -4.98 115.26 109.51 1ekz n ASN 21 Ca 0.18 -0.58 -0.34 0.00 -0.60 0.00 0.00 54.58 53.24 1ekz n ASN 21 Cb 0.69 -4.52 -0.12 0.00 -0.53 0.00 0.00 39.78 35.30 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 -6.32 3.32 -1.01 1.20 -1.94 0.24 -4.99 119.30 109.80 1ekz s MET 22 Ca 0.57 -0.52 -0.23 0.00 -1.71 0.00 0.00 55.69 53.79 1ekz s MET 22 Cb -0.26 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 33.77 1ekz s MET 22 CO 0.70 0.42 1.75 0.95 -0.01 0.00 0.00 175.02 178.83 1ekz s THR 23 N -0.12 3.69 -0.40 2.05 -4.23 -1.26 -3.95 115.64 111.42 1ekz s THR 23 Ca 0.02 -0.72 -0.19 0.00 -1.18 0.00 0.00 61.69 59.63 1ekz s THR 23 Cb -0.13 -4.55 0.01 0.00 1.34 0.00 0.00 72.50 69.17 1ekz s THR 23 CO 0.03 -1.40 0.54 -0.69 -0.54 0.00 0.00 174.62 172.55 1ekz s VAL 24 N 7.87 4.97 -0.07 2.29 1.01 -1.26 -1.18 120.40 134.02 1ekz s VAL 24 Ca 0.60 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1ekz s VAL 24 Cb -0.03 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1ekz s VAL 24 CO -0.02 -0.39 -0.08 -1.00 0.00 0.00 0.00 175.10 173.61 1ekz s HIS 25 N 2.47 1.21 0.03 5.22 3.76 -0.37 -4.94 115.29 122.68 1ekz s HIS 25 Ca 0.18 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 54.61 1ekz s HIS 25 Cb -0.15 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 1ekz s HIS 25 CO 0.15 -0.33 0.19 -0.06 -0.85 0.00 0.00 174.74 173.84 1ekz s PHE 26 N 1.15 3.50 -0.25 1.40 0.40 -1.26 0.01 117.98 122.93 1ekz s PHE 26 Ca -0.06 0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.52 1ekz s PHE 26 Cb -0.14 -1.78 0.14 0.00 0.51 0.00 0.00 43.02 41.75 1ekz s PHE 26 CO -0.01 0.61 0.43 0.21 0.70 0.00 0.00 175.22 177.15 1ekz s LYS 27 N -2.25 0.39 0.12 0.44 2.47 0.26 -4.97 119.74 116.20 1ekz s LYS 27 Ca 0.31 0.67 -0.22 0.00 -1.56 0.00 0.00 55.97 55.16 1ekz s LYS 27 Cb -0.13 -0.22 -0.07 0.00 -1.46 0.00 0.00 37.83 35.95 1ekz s LYS 27 CO 0.23 -0.61 0.68 0.08 0.16 0.00 0.00 175.35 175.89 1ekz s VAL 28 N 2.61 4.56 -0.15 4.02 1.01 -1.26 0.43 120.40 131.62 1ekz s VAL 28 Ca 0.13 1.47 -0.05 0.00 0.00 0.00 0.00 61.98 63.53 1ekz s VAL 28 Cb -0.15 -4.02 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 1ekz s VAL 28 CO -0.17 0.53 0.22 0.18 0.00 0.00 0.00 175.10 175.87 1ekz n LEU 29 N 1.70 2.69 -3.55 3.92 4.77 0.27 -4.88 117.00 121.93 1ekz n LEU 29 Ca -0.08 0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1ekz n LEU 29 Cb 0.50 -1.07 -0.04 0.00 -2.33 0.00 0.00 43.42 40.47 1ekz n LEU 29 CO 0.44 0.86 0.20 -0.13 -1.33 0.00 0.00 177.39 177.43 1ekz s ARG 30 N -2.54 0.54 -0.50 3.23 3.00 -1.17 -4.96 118.95 116.54 1ekz s ARG 30 Ca -0.25 1.29 0.02 0.00 0.00 0.00 0.00 55.73 56.79 1ekz s ARG 30 Cb 0.07 0.71 0.51 0.00 0.00 0.00 0.00 34.95 36.24 1ekz s ARG 30 CO 0.73 -0.30 1.78 0.39 0.00 0.00 0.00 175.30 177.89 1ekz n GLU 31 N 5.44 2.62 0.00 3.54 1.02 -1.26 -0.46 120.64 131.54 1ekz n GLU 31 Ca -0.09 -3.37 0.00 0.00 -0.02 0.00 0.00 57.16 53.68 1ekz n GLU 31 Cb 0.49 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1ekz n GLU 31 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ekz n GLU 32 N -0.96 0.00 0.00 3.49 0.00 -0.81 -4.87 120.64 117.49 1ekz n GLU 32 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.70 1ekz n GLU 32 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.43 1ekz n GLU 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ekz n GLY 33 N 0.00 1.92 3.66 8.31 0.00 -1.26 -2.69 105.19 115.13 1ekz n GLY 33 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1ekz n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ekz s PRO 34 N 0.00 4.25 0.57 1.61 0.04 -1.26 -4.92 135.00 135.30 1ekz s PRO 34 Ca 0.00 1.17 0.46 0.00 0.04 0.00 0.00 61.00 62.67 1ekz s PRO 34 Cb 0.00 -3.62 1.59 0.00 0.04 0.00 0.00 34.50 32.51 1ekz s PRO 34 CO 0.00 -0.52 1.52 0.00 0.04 0.00 0.00 177.00 178.05 1ekz h ALA 35 N 7.48 3.72 0.00 8.56 0.00 -2.02 0.07 119.26 137.06 1ekz h ALA 35 Ca -0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1ekz h ALA 35 Cb 1.09 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ekz h ALA 35 CO 0.91 -2.32 -0.17 0.45 0.00 0.00 0.00 179.25 178.12 1ekz h HIS 36 N 0.00 0.00 -1.78 0.00 3.86 -1.93 -3.38 115.15 111.92 1ekz h HIS 36 Ca 0.86 0.00 -0.77 0.00 -1.16 0.00 0.00 60.37 59.30 1ekz h HIS 36 Cb 3.63 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 31.91 1ekz h HIS 36 CO 0.00 0.66 1.72 -0.12 0.86 0.00 0.00 177.93 181.05 1ekz n MET 37 N -4.65 4.20 -2.01 2.45 0.00 0.00 -4.93 117.12 112.18 1ekz n MET 37 Ca -0.09 -3.86 -0.26 0.00 -0.00 0.00 0.00 57.70 53.48 1ekz n MET 37 Cb 0.33 -2.72 -0.06 0.00 0.00 0.00 0.00 33.22 30.76 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 -1.14 2.37 0.20 2.12 1.02 -1.16 -4.23 119.74 118.92 1ekz s LYS 38 Ca 0.40 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.58 1ekz s LYS 38 Cb 0.11 -5.17 -0.03 0.00 -0.52 0.00 0.00 37.83 32.22 1ekz s LYS 38 CO -0.00 -3.99 0.30 -0.80 -0.92 0.00 0.00 175.35 169.93 1ekz s ASN 39 N 7.15 6.18 -0.35 2.83 -0.87 -1.09 -4.27 114.94 124.52 1ekz s ASN 39 Ca 0.71 0.06 0.03 0.00 -1.57 0.00 0.00 52.86 52.08 1ekz s ASN 39 Cb -0.03 -1.80 0.10 0.00 -0.02 0.00 0.00 41.25 39.51 1ekz s ASN 39 CO 0.10 -0.01 0.09 -0.36 -2.57 0.00 0.00 177.10 174.35 1ekz s PHE 40 N -1.89 3.06 -0.52 2.20 0.40 -0.44 -1.92 117.98 118.88 1ekz s PHE 40 Ca 0.34 -2.64 -0.22 0.00 -0.60 0.00 0.00 56.93 53.81 1ekz s PHE 40 Cb -0.10 -2.53 0.05 0.00 0.51 0.00 0.00 43.02 40.94 1ekz s PHE 40 CO 0.28 -0.91 0.78 0.42 0.70 0.00 0.00 175.22 176.50 1ekz s ILE 41 N 0.98 4.63 -0.21 0.64 1.01 0.39 -1.46 121.20 127.18 1ekz s ILE 41 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 1ekz s ILE 41 Cb -0.19 -4.41 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 1ekz s ILE 41 CO -0.12 -0.93 -0.01 -0.89 0.00 0.00 0.00 174.94 172.99 1ekz s THR 42 N 3.30 3.74 -0.02 2.92 2.01 -0.29 0.96 115.64 128.26 1ekz s THR 42 Ca 0.24 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1ekz s THR 42 Cb -0.15 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1ekz s THR 42 CO 0.16 0.42 0.00 0.00 -0.69 0.00 0.00 174.62 174.52 1ekz s ALA 43 N 1.21 3.29 0.02 7.40 0.00 0.17 0.94 121.76 134.79 1ekz s ALA 43 Ca 0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 1ekz s ALA 43 Cb -0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 1ekz s ALA 43 CO 0.00 0.64 0.05 0.00 0.00 0.00 0.00 175.76 176.45 1ekz s ILE 45 N -1.93 1.92 -0.50 0.00 2.07 0.10 -0.10 121.20 122.76 1ekz s ILE 45 Ca -0.11 -1.09 0.06 0.00 -1.41 0.00 0.00 60.65 58.10 1ekz s ILE 45 Cb -0.06 -1.60 0.21 0.00 0.13 0.00 0.00 42.46 41.14 1ekz s ILE 45 CO -0.02 0.49 0.50 0.55 -1.91 0.00 0.00 174.94 174.56 1ekz n VAL 46 N 2.35 0.10 0.00 4.00 3.14 0.97 -1.24 118.33 127.66 1ekz n VAL 46 Ca -0.16 -4.20 0.00 0.00 -2.96 0.00 0.00 64.34 57.03 1ekz n VAL 46 Cb 0.52 -1.93 0.00 0.00 -1.06 0.00 0.00 33.84 31.37 1ekz n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ekz n GLY 47 N 1.85 0.35 0.32 7.55 0.00 -0.33 -2.43 105.19 112.50 1ekz n GLY 47 Ca 0.25 0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.57 1ekz n GLY 47 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ekz h SER 48 N 0.00 0.12 -5.23 1.61 0.02 -1.96 -3.45 113.55 104.66 1ekz h SER 48 Ca 0.00 0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1ekz h SER 48 Cb 0.00 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1ekz h SER 48 CO 0.00 -0.17 0.05 0.27 -1.14 0.00 0.00 176.83 175.84 1ekz s ILE 49 N -5.85 0.00 0.10 3.27 -4.36 -1.02 -5.17 121.20 108.17 1ekz s ILE 49 Ca -0.11 -1.28 0.10 0.00 -0.26 0.00 0.00 60.65 59.10 1ekz s ILE 49 Cb 0.27 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1ekz s ILE 49 CO 0.78 0.00 -0.27 -0.69 0.24 0.00 0.00 174.94 175.00 1ekz s VAL 50 N -2.94 2.21 -0.10 8.37 1.01 -1.26 -0.02 120.40 127.67 1ekz s VAL 50 Ca 0.22 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.42 1ekz s VAL 50 Cb -0.03 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1ekz s VAL 50 CO 0.14 0.17 0.36 -0.89 0.00 0.00 0.00 175.10 174.88 1ekz s THR 51 N -0.98 0.02 0.40 3.92 2.01 0.86 -4.97 115.64 116.89 1ekz s THR 51 Ca 0.13 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.06 1ekz s THR 51 Cb -0.10 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1ekz s THR 51 CO 0.05 -0.08 0.24 -1.83 -0.69 0.00 0.00 174.62 172.30 1ekz s GLU 52 N -0.31 2.36 -0.27 4.92 -1.05 -1.26 0.10 118.70 123.19 1ekz s GLU 52 Ca -0.04 -1.68 -0.01 0.00 -0.15 0.00 0.00 54.97 53.08 1ekz s GLU 52 Cb -0.03 -2.15 0.15 0.00 -0.44 0.00 0.00 34.13 31.66 1ekz s GLU 52 CO 0.02 -0.09 0.42 0.20 0.95 0.00 0.00 175.26 176.76 1ekz s GLY 53 N -3.97 -0.57 -1.27 -3.83 0.00 0.27 -4.93 107.32 93.03 1ekz s GLY 53 Ca 0.43 0.81 -0.15 0.00 0.00 0.00 0.00 44.72 45.80 1ekz s GLY 53 CO 0.24 2.91 1.65 -2.21 0.00 0.00 0.00 173.10 175.70 1ekz n GLU 54 N 5.37 3.29 -2.99 2.90 0.00 -1.26 -1.14 120.64 126.81 1ekz n GLU 54 Ca -0.02 -3.52 -0.24 0.00 0.00 0.00 0.00 57.16 53.39 1ekz n GLU 54 Cb 0.50 -3.22 0.00 0.00 0.00 0.00 0.00 31.44 28.73 1ekz n GLU 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ekz s GLY 55 N 3.17 1.49 0.00 8.31 0.00 -0.53 -4.85 107.32 114.90 1ekz s GLY 55 Ca 0.47 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1ekz s GLY 55 CO 0.02 -0.75 0.00 -2.01 0.00 0.00 0.00 173.10 170.37 1ekz n ASN 56 N -2.07 -0.14 -2.19 1.64 2.85 -1.26 -1.32 115.26 112.77 1ekz n ASN 56 Ca -0.00 -0.64 0.00 0.00 -0.11 0.00 0.00 54.58 53.82 1ekz n ASN 56 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1ekz n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ekz n GLY 57 N 4.52 -0.65 2.53 8.20 0.00 -1.26 -1.87 105.19 116.66 1ekz n GLY 57 Ca 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.43 -1.01 1.61 4.76 -1.26 0.44 118.16 120.27 1ekz n LYS 58 Ca 0.00 0.52 -0.01 0.00 -2.87 0.00 0.00 58.31 55.96 1ekz n LYS 58 Cb 0.00 -5.12 -0.00 0.00 -1.84 0.00 0.00 35.03 28.07 1ekz n LYS 58 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ekz n LYS 59 N -2.86 -1.39 0.07 1.97 5.02 -1.26 -4.88 118.16 114.83 1ekz n LYS 59 Ca -0.12 0.37 -0.12 0.00 -2.02 0.00 0.00 58.31 56.42 1ekz n LYS 59 Cb 0.59 -4.43 -0.06 0.00 -0.02 0.00 0.00 35.03 31.11 1ekz n LYS 59 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ekz h VAL 60 N 0.00 0.87 0.78 -0.18 2.07 0.02 0.42 116.25 120.23 1ekz h VAL 60 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1ekz h VAL 60 Cb 0.71 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1ekz h VAL 60 CO 0.02 0.00 -0.39 -1.28 0.02 0.00 0.00 177.57 175.93 1ekz h SER 61 N -0.12 -0.95 -0.76 0.57 0.87 -1.50 1.18 113.55 112.85 1ekz h SER 61 Ca 0.01 0.04 0.18 0.00 -1.23 0.00 0.00 61.79 60.78 1ekz h SER 61 Cb 0.12 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.29 1ekz h SER 61 CO -0.02 -0.65 0.52 0.11 -0.53 0.00 0.00 176.83 176.25 1ekz h LYS 62 N -1.07 0.25 0.00 2.24 6.56 -1.85 0.15 116.57 122.85 1ekz h LYS 62 Ca -0.11 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 1ekz h LYS 62 Cb 0.83 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1ekz h LYS 62 CO 0.16 0.17 -0.16 -0.22 -2.06 0.00 0.00 179.45 177.34 1ekz h LYS 63 N 0.26 0.00 -0.82 3.15 3.64 -0.61 -3.20 116.57 118.99 1ekz h LYS 63 Ca 0.37 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.92 1ekz h LYS 63 Cb 1.08 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.80 1ekz h LYS 63 CO -0.09 0.00 0.37 -0.09 -2.27 0.00 0.00 179.45 177.37 1ekz h ARG 64 N -0.96 0.47 -0.27 1.90 9.65 0.16 0.45 114.38 125.78 1ekz h ARG 64 Ca 0.00 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1ekz h ARG 64 Cb 0.16 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1ekz h ARG 64 CO 0.00 0.31 0.14 0.00 2.80 0.00 0.00 179.97 183.22 1ekz h ALA 65 N 1.60 0.33 -0.20 2.80 0.00 -0.86 -1.01 119.26 121.92 1ekz h ALA 65 Ca 0.47 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 1ekz h ALA 65 Cb 0.75 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ekz h ALA 65 CO -0.43 -0.25 -0.09 0.00 0.00 0.00 0.00 179.25 178.48 1ekz h ALA 66 N 1.14 0.28 -0.47 0.00 0.00 -1.08 -2.62 119.26 116.51 1ekz h ALA 66 Ca 0.11 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ekz h ALA 66 Cb 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1ekz h ALA 66 CO -0.07 0.11 0.05 0.93 0.00 0.00 0.00 179.25 180.26 1ekz h GLU 67 N 0.11 0.17 -0.77 0.00 5.08 0.04 0.49 114.58 119.71 1ekz h GLU 67 Ca 0.04 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ekz h GLU 67 Cb 0.58 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1ekz h GLU 67 CO 0.03 0.11 0.50 0.87 -1.00 0.00 0.00 179.01 179.52 1ekz h LYS 68 N 0.17 0.98 -0.48 2.33 1.79 -1.16 -2.08 116.57 118.12 1ekz h LYS 68 Ca 0.23 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.52 1ekz h LYS 68 Cb 0.32 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1ekz h LYS 68 CO -0.34 0.65 -0.18 1.98 -1.08 0.00 0.00 179.45 180.48 1ekz h MET 69 N 1.01 0.94 -0.06 3.15 4.05 -0.79 -2.52 114.93 120.71 1ekz h MET 69 Ca 0.29 -0.37 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1ekz h MET 69 Cb -0.07 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.63 1ekz h MET 69 CO -0.08 1.03 -0.23 -0.07 0.23 0.00 0.00 176.91 177.80 1ekz h LEU 70 N 0.82 -0.69 -1.32 3.39 3.38 0.59 0.20 115.31 121.69 1ekz h LEU 70 Ca 0.12 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1ekz h LEU 70 Cb 0.73 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1ekz h LEU 70 CO 0.06 -0.29 -0.03 1.62 0.09 0.00 0.00 178.44 179.89 1ekz h VAL 71 N -0.33 1.18 0.65 1.22 3.04 -1.43 -0.16 116.25 120.42 1ekz h VAL 71 Ca 0.08 -0.74 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 1ekz h VAL 71 Cb 0.44 1.01 0.01 0.00 -2.01 0.00 0.00 31.29 30.73 1ekz h VAL 71 CO -0.25 0.25 -0.31 -0.08 -1.01 0.00 0.00 177.57 176.16 1ekz h GLU 72 N 0.41 -0.84 0.00 4.17 4.57 -0.77 -1.07 114.58 121.05 1ekz h GLU 72 Ca 0.09 0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1ekz h GLU 72 Cb 0.32 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1ekz h GLU 72 CO 0.01 -0.56 -0.14 1.37 -1.18 0.00 0.00 179.01 178.51 1ekz h LEU 73 N -1.19 0.00 0.00 1.64 8.10 -0.64 -1.30 115.31 121.92 1ekz h LEU 73 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1ekz h LEU 73 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.89 1ekz h LEU 73 CO 0.15 0.14 -0.22 0.00 -4.11 0.00 0.00 178.44 174.40 1ekz n GLN 74 N -3.91 0.16 -0.06 0.17 6.02 -0.08 -3.77 117.38 115.91 1ekz n GLN 74 Ca -0.02 0.09 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 1ekz n GLN 74 Cb 0.24 -1.65 -0.15 0.00 1.02 0.00 0.00 30.24 29.70 1ekz n GLN 74 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ekz n LYS 75 N -1.91 0.83 -0.34 -1.09 4.81 -0.41 -5.04 118.16 115.01 1ekz n LYS 75 Ca 0.05 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1ekz n LYS 75 Cb 0.39 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.97 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85