#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 6.13 0.81 7.83 1.11 -1.26 -4.71 116.67 126.58 1ekz s ASP 2 Ca 0.00 1.79 0.00 0.00 0.18 0.00 0.00 52.55 54.52 1ekz s ASP 2 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1ekz s ASP 2 CO 0.00 -1.43 0.00 1.21 1.18 0.00 0.00 175.17 176.13 1ekz n GLU 3 N 7.97 0.00 0.00 8.23 4.07 -1.26 -5.04 120.64 134.62 1ekz n GLU 3 Ca 0.22 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1ekz n GLU 3 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 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 0.00 1.65 1.84 8.31 0.00 -1.26 -5.12 105.19 110.61 1ekz n GLY 4 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ekz n GLY 4 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ekz n ASP 5 N 0.00 0.00 0.00 1.61 2.03 -1.26 -5.10 116.55 113.83 1ekz n ASP 5 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ekz n ASP 5 Cb 0.00 0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1ekz n ASP 5 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ekz n LYS 6 N -2.38 0.00 -3.82 -0.67 4.81 -1.26 -5.06 118.16 109.79 1ekz n LYS 6 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1ekz n LYS 6 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 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 -2.91 -0.96 -3.60 1.64 4.76 -1.26 -4.91 118.16 110.91 1ekz n LYS 7 Ca 0.00 0.49 -0.32 0.00 -2.87 0.00 0.00 58.31 55.60 1ekz n LYS 7 Cb 0.00 -3.08 -0.08 0.00 -1.84 0.00 0.00 35.03 30.04 1ekz n LYS 7 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ekz n SER 8 N -2.40 3.99 0.00 4.39 7.64 -1.26 -4.92 113.62 121.06 1ekz n SER 8 Ca -0.16 -3.26 -0.01 0.00 1.01 0.00 0.00 58.87 56.45 1ekz n SER 8 Cb 0.61 -0.90 -0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1ekz n SER 8 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ekz h PRO 9 N 5.34 -0.04 0.00 1.43 0.13 -1.94 -3.41 132.00 133.51 1ekz h PRO 9 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ekz h PRO 9 Cb 0.74 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1ekz h PRO 9 CO 0.86 -0.03 0.00 -0.89 -0.23 0.00 0.00 178.00 177.71 1ekz n ILE 10 N -2.83 0.00 -0.18 -3.56 2.08 -1.26 -4.26 119.36 109.34 1ekz n ILE 10 Ca -0.01 0.01 -0.05 0.00 0.56 0.00 0.00 62.75 63.27 1ekz n ILE 10 Cb 0.02 -0.65 -0.04 0.00 -0.75 0.00 0.00 39.64 38.22 1ekz n ILE 10 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1ekz n SER 11 N -1.31 -0.46 -0.34 4.38 2.88 -1.26 0.59 113.62 118.10 1ekz n SER 11 Ca 0.00 1.21 0.17 0.00 -1.33 0.00 0.00 58.87 58.92 1ekz n SER 11 Cb 0.00 -0.32 0.38 0.00 -0.75 0.00 0.00 64.21 63.52 1ekz n SER 11 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ekz h GLN 12 N 0.00 0.59 -0.27 -1.46 7.50 -1.90 0.45 115.11 120.02 1ekz h GLN 12 Ca 0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 1ekz h GLN 12 Cb 0.18 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.56 1ekz h GLN 12 CO -0.41 0.39 0.09 0.28 -1.50 0.00 0.00 178.83 177.68 1ekz h VAL 13 N 0.61 1.19 0.03 -0.54 2.07 -0.07 0.97 116.25 120.51 1ekz h VAL 13 Ca 0.63 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ekz h VAL 13 Cb 1.18 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1ekz h VAL 13 CO -0.44 0.20 -0.01 0.45 0.02 0.00 0.00 177.57 177.79 1ekz h HIS 14 N 0.28 -0.04 -0.46 1.57 3.86 0.17 0.23 115.15 120.77 1ekz h HIS 14 Ca 0.09 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.39 1ekz h HIS 14 Cb 0.23 0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.63 1ekz h HIS 14 CO 0.00 0.04 -0.01 0.93 0.86 0.00 0.00 177.93 179.74 1ekz h GLU 15 N -0.10 0.10 -0.71 2.45 5.08 -0.07 0.86 114.58 122.19 1ekz h GLU 15 Ca -0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ekz h GLU 15 Cb 0.09 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1ekz h GLU 15 CO 0.01 0.06 0.29 0.82 -1.00 0.00 0.00 179.01 179.19 1ekz h ILE 16 N 0.10 1.24 0.02 3.13 1.08 -0.44 0.34 117.51 122.98 1ekz h ILE 16 Ca 0.23 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1ekz h ILE 16 Cb 0.34 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1ekz h ILE 16 CO -0.40 0.30 -0.12 1.23 -0.69 0.00 0.00 178.15 178.48 1ekz h GLY 17 N 1.08 -0.16 1.22 5.37 0.00 0.18 0.71 103.07 111.47 1ekz h GLY 17 Ca 0.24 0.14 -0.24 0.00 0.00 0.00 0.00 47.33 47.46 1ekz h GLY 17 CO -0.02 -0.12 -0.90 1.19 0.00 0.00 0.00 176.54 176.69 1ekz h ILE 18 N -0.21 1.28 -0.04 2.60 2.10 -0.99 0.71 117.51 122.96 1ekz h ILE 18 Ca 0.03 -2.11 0.01 0.00 1.08 0.00 0.00 64.86 63.88 1ekz h ILE 18 Cb 0.25 2.17 -0.00 0.00 -1.09 0.00 0.00 36.82 38.15 1ekz h ILE 18 CO -0.10 0.66 0.04 0.11 -1.08 0.00 0.00 178.15 177.78 1ekz h LYS 19 N 0.46 0.00 0.00 2.19 1.79 -0.12 -3.32 116.57 117.58 1ekz h LYS 19 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1ekz h LYS 19 Cb 1.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 1ekz h LYS 19 CO 0.18 0.00 -0.70 -2.13 -1.08 0.00 0.00 179.45 175.72 1ekz n ARG 20 N -4.30 0.37 0.00 3.15 3.00 0.22 -5.06 116.66 114.05 1ekz n ARG 20 Ca -0.02 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1ekz n ARG 20 Cb 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.46 1ekz n ARG 20 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ekz n ASN 21 N -4.10 0.00 -4.78 6.15 3.02 0.22 -5.08 115.26 110.69 1ekz n ASN 21 Ca -0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.09 1ekz n ASN 21 Cb 0.36 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1ekz n ASN 21 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ekz s MET 22 N 0.00 3.84 0.02 3.52 -1.94 0.42 -4.91 119.30 120.24 1ekz s MET 22 Ca 0.00 1.58 -0.26 0.00 -1.71 0.00 0.00 55.69 55.30 1ekz s MET 22 Cb 0.00 -2.32 -0.16 0.00 2.01 0.00 0.00 34.83 34.36 1ekz s MET 22 CO 0.00 -0.44 1.18 1.79 -0.01 0.00 0.00 175.02 177.54 1ekz h THR 23 N 1.81 0.25 -4.49 2.05 1.35 -1.85 -3.36 112.91 108.67 1ekz h THR 23 Ca -0.49 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1ekz h THR 23 Cb 1.23 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1ekz h THR 23 CO 0.60 0.04 -0.62 0.52 -0.25 0.00 0.00 175.52 175.81 1ekz n VAL 24 N -5.32 -8.83 -4.27 6.82 0.31 -1.20 -4.87 118.33 100.97 1ekz n VAL 24 Ca -0.11 1.15 -0.27 0.00 -0.01 0.00 0.00 64.34 65.09 1ekz n VAL 24 Cb 0.34 -6.09 -0.17 0.00 -0.91 0.00 0.00 33.84 27.01 1ekz n VAL 24 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1ekz s HIS 25 N -1.34 1.77 -0.12 3.52 3.76 0.12 -4.97 115.29 118.03 1ekz s HIS 25 Ca 0.04 -0.84 -0.00 0.00 -0.15 0.00 0.00 55.06 54.11 1ekz s HIS 25 Cb -0.01 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1ekz s HIS 25 CO 0.54 -0.47 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.78 1ekz s PHE 26 N 1.18 2.84 -0.15 1.40 0.08 -1.26 -0.53 117.98 121.55 1ekz s PHE 26 Ca -0.03 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.50 1ekz s PHE 26 Cb -0.14 -1.82 0.06 0.00 -0.57 0.00 0.00 43.02 40.56 1ekz s PHE 26 CO -0.04 -0.07 0.32 0.21 -0.10 0.00 0.00 175.22 175.54 1ekz s LYS 27 N 0.08 0.24 0.56 0.44 2.20 0.97 -5.00 119.74 119.23 1ekz s LYS 27 Ca -0.04 0.76 -0.17 0.00 -0.36 0.00 0.00 55.97 56.16 1ekz s LYS 27 Cb -0.14 0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.14 1ekz s LYS 27 CO 0.04 -0.22 1.04 0.54 -0.36 0.00 0.00 175.35 176.38 1ekz s VAL 28 N 1.99 3.96 -0.07 4.02 0.11 -1.26 0.13 120.40 129.28 1ekz s VAL 28 Ca -0.04 0.99 0.03 0.00 -2.93 0.00 0.00 61.98 60.02 1ekz s VAL 28 Cb -0.11 -3.47 -0.06 0.00 -1.53 0.00 0.00 36.38 31.21 1ekz s VAL 28 CO -0.10 -0.49 -0.03 0.18 -3.33 0.00 0.00 175.10 171.33 1ekz n LEU 29 N -1.73 1.59 -3.71 2.54 4.77 0.16 -4.77 117.00 115.84 1ekz n LEU 29 Ca 0.08 -0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 1ekz n LEU 29 Cb 0.53 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1ekz n LEU 29 CO 0.46 0.41 -0.30 -0.13 -1.33 0.00 0.00 177.39 176.49 1ekz s ARG 30 N -2.15 -0.02 -0.43 3.23 1.81 -0.99 -4.99 118.95 115.41 1ekz s ARG 30 Ca -0.07 0.36 0.08 0.00 -1.72 0.00 0.00 55.73 54.39 1ekz s ARG 30 Cb 0.02 -0.34 0.28 0.00 -0.45 0.00 0.00 34.95 34.46 1ekz s ARG 30 CO 0.21 -0.26 0.63 0.39 -0.68 0.00 0.00 175.30 175.59 1ekz n GLU 31 N 4.84 1.18 -1.59 3.54 1.02 -1.26 -1.79 120.64 126.58 1ekz n GLU 31 Ca -0.14 -3.56 -0.48 0.00 -0.02 0.00 0.00 57.16 52.96 1ekz n GLU 31 Cb 0.50 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 1ekz n GLU 31 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ekz n GLU 32 N 0.96 1.28 0.00 3.49 4.71 -1.25 -4.97 120.64 124.86 1ekz n GLU 32 Ca 0.24 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.84 1ekz n GLU 32 Cb 0.54 -1.98 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 1ekz n GLU 32 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ekz n GLY 33 N 2.07 -0.20 3.80 0.62 0.00 -1.26 -4.93 105.19 105.29 1ekz n GLY 33 Ca 0.15 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 4.24 0.00 1.61 0.04 -1.26 -4.84 135.00 134.79 1ekz s PRO 34 Ca 0.00 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1ekz s PRO 34 Cb 0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1ekz s PRO 34 CO 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 177.00 177.01 1ekz n ALA 35 N -0.31 0.00 -0.61 8.56 0.00 -1.26 -5.08 120.51 121.81 1ekz n ALA 35 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ekz n ALA 35 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1ekz n ALA 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ekz n HIS 36 N 0.00 -0.48 0.01 0.00 8.25 -1.26 -5.09 115.22 116.64 1ekz n HIS 36 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ekz n HIS 36 Cb 0.00 0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1ekz n HIS 36 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1ekz n MET 37 N -1.58 0.00 -0.35 -0.41 0.00 -1.26 -5.14 117.12 108.39 1ekz n MET 37 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.70 57.75 1ekz n MET 37 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 33.22 33.16 1ekz n MET 37 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1ekz n LYS 38 N -2.64 -0.71 -2.12 2.12 2.85 -1.26 -5.00 118.16 111.40 1ekz n LYS 38 Ca 0.00 0.47 -0.02 0.00 -1.05 0.00 0.00 58.31 57.71 1ekz n LYS 38 Cb 0.00 -0.86 -0.01 0.00 -0.65 0.00 0.00 35.03 33.51 1ekz n LYS 38 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ekz n ASN 39 N -3.76 -0.09 -3.55 -5.58 3.02 -1.26 -4.90 115.26 99.14 1ekz n ASN 39 Ca 0.00 -1.22 -0.21 0.00 -0.03 0.00 0.00 54.58 53.12 1ekz n ASN 39 Cb 0.16 0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 39.38 1ekz n ASN 39 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ekz s PHE 40 N -2.85 -0.08 -0.23 3.10 0.08 -0.51 -3.91 117.98 113.58 1ekz s PHE 40 Ca 0.04 0.01 -0.07 0.00 0.12 0.00 0.00 56.93 57.03 1ekz s PHE 40 Cb 0.00 -0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 41.93 1ekz s PHE 40 CO 0.03 -0.56 0.05 -1.50 -0.10 0.00 0.00 175.22 173.14 1ekz s ILE 41 N 2.25 4.23 -0.10 0.64 2.07 -0.74 -2.30 121.20 127.25 1ekz s ILE 41 Ca 0.05 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.11 1ekz s ILE 41 Cb -0.16 -2.96 0.01 0.00 0.13 0.00 0.00 42.46 39.48 1ekz s ILE 41 CO -0.11 0.37 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.20 1ekz s THR 42 N 1.37 1.86 0.06 4.00 2.01 0.90 0.38 115.64 126.22 1ekz s THR 42 Ca 0.05 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1ekz s THR 42 Cb -0.15 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1ekz s THR 42 CO 0.03 0.51 0.18 0.00 -0.69 0.00 0.00 174.62 174.66 1ekz s ALA 43 N 0.55 3.92 -0.06 7.40 0.00 0.12 0.13 121.76 133.82 1ekz s ALA 43 Ca -0.15 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.84 1ekz s ALA 43 Cb -0.17 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.22 1ekz s ALA 43 CO 0.05 0.81 0.24 0.00 0.00 0.00 0.00 175.76 176.86 1ekz s ILE 45 N -0.50 1.23 -0.25 0.00 2.07 0.31 -0.36 121.20 123.71 1ekz s ILE 45 Ca -0.06 -0.98 -0.02 0.00 -1.41 0.00 0.00 60.65 58.18 1ekz s ILE 45 Cb -0.04 -1.09 0.08 0.00 0.13 0.00 0.00 42.46 41.54 1ekz s ILE 45 CO 0.01 0.10 0.08 -0.69 -1.91 0.00 0.00 174.94 172.53 1ekz s VAL 46 N -0.75 0.51 0.00 4.00 1.01 0.84 0.10 120.40 126.12 1ekz s VAL 46 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1ekz s VAL 46 Cb -0.08 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1ekz s VAL 46 CO 0.01 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1ekz n GLY 47 N 5.03 1.43 0.51 4.51 0.00 -1.26 -2.31 105.19 113.09 1ekz n GLY 47 Ca -0.06 0.30 0.01 0.00 0.00 0.00 0.00 46.02 46.27 1ekz n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ekz n SER 48 N 4.23 0.16 -4.25 1.61 7.64 -1.26 -4.89 113.62 116.86 1ekz n SER 48 Ca 0.00 -2.06 -0.28 0.00 1.01 0.00 0.00 58.87 57.54 1ekz n SER 48 Cb 0.00 -0.22 -0.15 0.00 -1.01 0.00 0.00 64.21 62.83 1ekz n SER 48 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1ekz s ILE 49 N -0.16 1.74 0.07 0.44 2.07 -0.98 -5.14 121.20 119.24 1ekz s ILE 49 Ca 0.03 -1.02 0.08 0.00 -1.41 0.00 0.00 60.65 58.33 1ekz s ILE 49 Cb 0.03 -1.46 -0.03 0.00 0.13 0.00 0.00 42.46 41.12 1ekz s ILE 49 CO -0.00 0.42 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.53 1ekz s VAL 50 N -0.59 1.85 -0.13 4.00 1.01 -1.26 -0.11 120.40 125.16 1ekz s VAL 50 Ca 0.08 -1.41 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 1ekz s VAL 50 Cb -0.09 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.73 1ekz s VAL 50 CO -0.00 0.15 0.30 -0.89 0.00 0.00 0.00 175.10 174.65 1ekz s THR 51 N -0.94 -0.27 0.44 3.92 2.01 0.52 -4.99 115.64 116.33 1ekz s THR 51 Ca 0.09 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.24 1ekz s THR 51 Cb -0.10 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1ekz s THR 51 CO 0.03 0.08 0.74 -1.61 -0.69 0.00 0.00 174.62 173.17 1ekz s GLU 52 N 1.93 3.57 -0.35 4.92 8.01 -1.26 -1.75 118.70 133.76 1ekz s GLU 52 Ca -0.04 0.15 -0.00 0.00 0.01 0.00 0.00 54.97 55.09 1ekz s GLU 52 Cb -0.11 -2.43 0.11 0.00 -4.31 0.00 0.00 34.13 27.39 1ekz s GLU 52 CO -0.10 -0.11 0.15 0.20 0.01 0.00 0.00 175.26 175.41 1ekz s GLY 53 N -3.93 1.18 -0.14 -1.39 0.00 0.34 -4.60 107.32 98.79 1ekz s GLY 53 Ca 0.47 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 43.29 1ekz s GLY 53 CO 0.41 1.67 1.33 -1.84 0.00 0.00 0.00 173.10 174.67 1ekz n GLU 54 N 4.44 1.38 -1.53 2.90 0.00 -1.26 -0.07 120.64 126.49 1ekz n GLU 54 Ca 0.02 -0.89 -0.53 0.00 0.00 0.00 0.00 57.16 55.76 1ekz n GLU 54 Cb 0.39 -1.35 -0.06 0.00 0.00 0.00 0.00 31.44 30.43 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 0.08 -0.14 0.23 -1.84 0.00 -0.97 -4.46 105.19 98.09 1ekz n GLY 55 Ca 0.18 0.64 -0.06 0.00 0.00 0.00 0.00 46.02 46.78 1ekz n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ekz h ASN 56 N 3.31 0.57 -3.01 1.61 4.21 -1.91 -1.36 115.58 119.00 1ekz h ASN 56 Ca -0.46 -0.24 -0.63 0.00 1.21 0.00 0.00 56.30 56.19 1ekz h ASN 56 Cb 1.38 -0.16 -0.06 0.00 -1.12 0.00 0.00 38.32 38.37 1ekz h ASN 56 CO 0.69 0.88 -0.54 -0.83 -1.29 0.00 0.00 177.43 176.34 1ekz s GLY 57 N -4.03 2.13 0.26 2.83 0.00 -1.26 -3.83 107.32 103.41 1ekz s GLY 57 Ca -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 1ekz s GLY 57 CO 0.81 -0.88 1.69 0.50 0.00 0.00 0.00 173.10 175.22 1ekz h LYS 58 N 3.17 0.31 0.00 2.90 1.57 -1.94 0.69 116.57 123.27 1ekz h LYS 58 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1ekz h LYS 58 Cb 1.16 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1ekz h LYS 58 CO 0.72 0.20 0.00 0.36 -0.57 0.00 0.00 179.45 180.16 1ekz n LYS 59 N -5.12 0.19 -0.13 3.15 2.85 -1.26 -2.49 118.16 115.35 1ekz n LYS 59 Ca 0.16 0.16 -0.25 0.00 -1.05 0.00 0.00 58.31 57.33 1ekz n LYS 59 Cb 0.51 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.28 1ekz n LYS 59 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ekz n VAL 60 N -1.31 1.53 0.04 0.58 0.31 0.23 -4.51 118.33 115.20 1ekz n VAL 60 Ca 0.07 -0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 63.85 1ekz n VAL 60 Cb 0.13 -1.76 -0.08 0.00 -0.91 0.00 0.00 33.84 31.22 1ekz n VAL 60 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ekz h SER 61 N -0.67 -0.03 -0.01 4.52 0.87 -1.29 0.36 113.55 117.30 1ekz h SER 61 Ca -0.63 -0.16 -0.48 0.00 -1.23 0.00 0.00 61.79 59.29 1ekz h SER 61 Cb 1.69 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 1ekz h SER 61 CO -0.29 0.14 2.16 0.29 -0.53 0.00 0.00 176.83 178.60 1ekz n LYS 62 N -5.03 3.03 0.00 2.24 5.02 -1.04 -3.55 118.16 118.84 1ekz n LYS 62 Ca -0.08 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 1ekz n LYS 62 Cb 0.12 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 1ekz n LYS 62 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ekz n LYS 63 N 3.13 0.00 -0.34 1.97 5.02 -1.16 -4.94 118.16 121.83 1ekz n LYS 63 Ca 0.64 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 57.14 1ekz n LYS 63 Cb 0.50 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.96 1ekz n LYS 63 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1ekz h ARG 64 N 0.00 0.47 -0.62 1.97 2.43 -0.39 0.56 114.38 118.80 1ekz h ARG 64 Ca 0.00 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1ekz h ARG 64 Cb 0.00 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1ekz h ARG 64 CO 0.00 0.31 0.04 0.00 -1.51 0.00 0.00 179.97 178.81 1ekz h ALA 65 N 1.68 0.90 0.11 2.80 0.00 -1.73 -1.20 119.26 121.82 1ekz h ALA 65 Ca 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ekz h ALA 65 Cb 1.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ekz h ALA 65 CO -0.40 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.46 1ekz h ALA 66 N 1.05 -0.15 -0.39 0.00 0.00 -0.41 -2.50 119.26 116.87 1ekz h ALA 66 Ca 0.18 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1ekz h ALA 66 Cb 0.50 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1ekz h ALA 66 CO 0.02 -0.16 -0.21 0.93 0.00 0.00 0.00 179.25 179.83 1ekz h GLU 67 N -0.99 -0.14 -0.47 0.00 5.08 -0.27 0.65 114.58 118.43 1ekz h GLU 67 Ca -0.02 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1ekz h GLU 67 Cb 0.37 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 1ekz h GLU 67 CO 0.03 -0.09 0.07 -0.22 -1.00 0.00 0.00 179.01 177.80 1ekz h LYS 68 N -0.14 0.20 -0.31 2.33 3.64 -1.34 0.37 116.57 121.31 1ekz h LYS 68 Ca 0.19 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1ekz h LYS 68 Cb 0.44 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1ekz h LYS 68 CO -0.47 0.13 -0.01 0.52 -2.27 0.00 0.00 179.45 177.35 1ekz h MET 69 N 0.20 0.08 -0.40 1.90 2.86 -0.50 0.23 114.93 119.31 1ekz h MET 69 Ca 0.24 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 1ekz h MET 69 Cb 0.32 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1ekz h MET 69 CO -0.33 0.05 0.06 -0.07 1.06 0.00 0.00 176.91 177.69 1ekz h LEU 70 N 0.08 0.56 0.39 1.22 3.38 0.17 0.19 115.31 121.30 1ekz h LEU 70 Ca 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ekz h LEU 70 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ekz h LEU 70 CO -0.26 0.59 -0.26 0.58 0.09 0.00 0.00 178.44 179.17 1ekz h VAL 71 N 0.59 0.46 -0.37 1.22 2.07 0.16 0.28 116.25 120.65 1ekz h VAL 71 Ca 0.13 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 1ekz h VAL 71 Cb 0.28 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ekz h VAL 71 CO 0.00 0.00 -0.13 1.05 0.02 0.00 0.00 177.57 178.51 1ekz h GLU 72 N -0.63 0.75 -0.07 1.57 4.11 -0.93 -2.91 114.58 116.47 1ekz h GLU 72 Ca -0.04 -0.30 -0.01 0.00 0.07 0.00 0.00 59.36 59.08 1ekz h GLU 72 Cb 0.53 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ekz h GLU 72 CO 0.03 0.91 0.02 -0.07 0.07 0.00 0.00 179.01 179.96 1ekz h LEU 73 N 0.55 0.08 -0.18 3.06 3.38 -0.44 0.30 115.31 122.06 1ekz h LEU 73 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ekz h LEU 73 Cb 0.66 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ekz h LEU 73 CO 0.04 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1ekz n GLN 74 N -4.50 1.11 0.00 1.13 6.02 0.98 -3.35 117.38 118.77 1ekz n GLN 74 Ca -0.02 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1ekz n GLN 74 Cb 0.11 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 -0.51 0.46 0.00 -1.09 4.81 0.07 -5.07 118.16 116.83 1ekz n LYS 75 Ca 0.09 -0.67 0.13 0.00 -0.87 0.00 0.00 58.31 56.99 1ekz n LYS 75 Cb 0.08 -0.82 0.38 0.00 0.02 0.00 0.00 35.03 34.69 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85