#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zkh s VAL 2 N 0.00 2.04 -0.15 0.52 -7.23 -0.05 -4.91 120.40 110.61 1zkh s VAL 2 Ca 0.00 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 1zkh s VAL 2 Cb 0.00 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1zkh s VAL 2 CO 0.00 -0.23 0.78 -0.44 -0.31 0.00 0.00 175.10 174.90 1zkh s SER 3 N -2.65 6.92 0.06 4.85 0.01 -1.26 -1.68 113.70 119.95 1zkh s SER 3 Ca 0.18 1.12 0.06 0.00 1.31 0.00 0.00 55.95 58.62 1zkh s SER 3 Cb -0.07 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1zkh s SER 3 CO 0.08 -0.32 -0.17 0.27 0.41 0.00 0.00 173.24 173.51 1zkh s ILE 4 N 1.85 1.33 0.06 1.44 -4.36 0.41 -0.13 121.20 121.80 1zkh s ILE 4 Ca 0.37 -1.25 0.06 0.00 -0.26 0.00 0.00 60.65 59.57 1zkh s ILE 4 Cb -0.17 -1.21 -0.03 0.00 1.25 0.00 0.00 42.46 42.30 1zkh s ILE 4 CO 0.13 -0.06 -0.17 -0.54 0.24 0.00 0.00 174.94 174.55 1zkh s LYS 5 N -1.52 1.03 -0.28 0.37 1.02 0.29 -0.47 119.74 120.18 1zkh s LYS 5 Ca 0.02 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1zkh s LYS 5 Cb -0.09 -1.11 0.08 0.00 -0.52 0.00 0.00 37.83 36.18 1zkh s LYS 5 CO 0.02 0.27 -0.02 0.08 -0.92 0.00 0.00 175.35 174.78 1zkh s VAL 6 N -1.01 1.83 -0.55 3.17 1.01 0.13 0.03 120.40 125.02 1zkh s VAL 6 Ca 0.03 -1.68 -0.28 0.00 0.00 0.00 0.00 61.98 60.05 1zkh s VAL 6 Cb -0.09 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1zkh s VAL 6 CO 0.02 -0.30 1.53 -1.58 0.00 0.00 0.00 175.10 174.77 1zkh s GLN 7 N 1.20 3.20 0.13 2.72 -0.44 0.17 -0.63 119.66 126.01 1zkh s GLN 7 Ca 0.00 0.58 -0.30 0.00 -2.50 0.00 0.00 55.36 53.14 1zkh s GLN 7 Cb -0.19 -4.18 -0.07 0.00 -1.64 0.00 0.00 33.01 26.94 1zkh s GLN 7 CO -0.09 -2.06 1.19 0.08 0.50 0.00 0.00 175.29 174.91 1zkh s VAL 8 N 6.63 3.80 0.58 1.34 1.01 -0.01 0.08 120.40 133.82 1zkh s VAL 8 Ca 0.57 1.41 -0.18 0.00 0.00 0.00 0.00 61.98 63.79 1zkh s VAL 8 Cb -0.12 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1zkh s VAL 8 CO 0.25 0.18 1.14 -2.16 0.00 0.00 0.00 175.10 174.51 1zkh s PRO 9 N 0.30 3.12 -1.06 2.72 0.04 -1.25 -3.43 135.00 135.44 1zkh s PRO 9 Ca 0.55 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 1zkh s PRO 9 Cb -0.31 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.31 1zkh s PRO 9 CO 0.33 -1.03 1.50 -0.80 0.04 0.00 0.00 177.00 177.04 1zkh s ASN 10 N -1.92 6.54 -0.42 6.66 -0.87 -1.26 -1.56 114.94 122.11 1zkh s ASN 10 Ca 0.72 -1.60 0.06 0.00 -1.57 0.00 0.00 52.86 50.48 1zkh s ASN 10 Cb -0.25 -2.57 0.21 0.00 -0.02 0.00 0.00 41.25 38.62 1zkh s ASN 10 CO 0.32 -1.47 0.43 0.23 -2.57 0.00 0.00 177.10 174.04 1zkh n MET 11 N 8.81 0.52 0.01 -0.60 2.81 -1.17 -4.82 117.12 122.68 1zkh n MET 11 Ca 0.36 -3.27 -0.18 0.00 -1.81 0.00 0.00 57.70 52.79 1zkh n MET 11 Cb 0.50 -1.51 -0.13 0.00 -0.71 0.00 0.00 33.22 31.37 1zkh n MET 11 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1zkh h GLN 12 N 4.90 0.24 0.00 0.03 7.50 -1.74 -3.35 115.11 122.69 1zkh h GLN 12 Ca 0.18 -0.36 0.00 0.00 0.50 0.00 0.00 58.65 58.97 1zkh h GLN 12 Cb 0.89 0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.54 1zkh h GLN 12 CO 0.43 1.13 0.00 -0.25 -1.50 0.00 0.00 178.83 178.65 1zkh n ASP 13 N -4.28 1.27 -0.16 1.46 8.00 -1.26 -4.64 116.55 116.94 1zkh n ASP 13 Ca -0.12 -1.28 0.14 0.00 0.71 0.00 0.00 54.79 54.24 1zkh n ASP 13 Cb 0.69 0.00 0.54 0.00 -0.02 0.00 0.00 41.12 42.33 1zkh n ASP 13 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1zkh n LYS 14 N -0.14 0.73 -2.85 -1.24 4.76 -1.25 -4.92 118.16 113.26 1zkh n LYS 14 Ca 0.00 -0.32 -0.05 0.00 -2.87 0.00 0.00 58.31 55.07 1zkh n LYS 14 Cb 0.07 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.79 1zkh n LYS 14 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1zkh n THR 15 N -0.86 0.00 1.15 -0.18 5.66 -1.26 -5.05 114.28 113.74 1zkh n THR 15 Ca 0.14 -0.60 0.13 0.00 -3.05 0.00 0.00 64.05 60.66 1zkh n THR 15 Cb 0.30 0.62 0.22 0.00 -1.55 0.00 0.00 70.33 69.92 1zkh n THR 15 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1zkh n GLU 16 N -0.37 2.06 -2.46 1.09 0.28 -1.26 -4.91 120.64 115.07 1zkh n GLU 16 Ca -0.05 -1.58 -0.24 0.00 -0.16 0.00 0.00 57.16 55.12 1zkh n GLU 16 Cb 0.39 -1.47 0.09 0.00 1.43 0.00 0.00 31.44 31.88 1zkh n GLU 16 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1zkh s TRP 17 N -2.03 2.12 -0.29 -1.84 0.51 -1.26 -4.98 118.94 111.17 1zkh s TRP 17 Ca 0.30 -0.03 0.03 0.00 -2.12 0.00 0.00 56.10 54.28 1zkh s TRP 17 Cb 0.20 -3.08 0.35 0.00 -0.81 0.00 0.00 33.47 30.13 1zkh s TRP 17 CO 0.33 -1.56 1.42 0.36 -0.51 0.00 0.00 176.95 176.99 1zkh n LYS 18 N -2.83 1.84 -2.65 4.98 -0.00 -1.26 -4.91 118.16 113.33 1zkh n LYS 18 Ca 0.12 -1.54 -0.43 0.00 -0.00 0.00 0.00 58.31 56.46 1zkh n LYS 18 Cb 0.60 -1.64 -0.02 0.00 -0.00 0.00 0.00 35.03 33.97 1zkh n LYS 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1zkh s LEU 19 N -1.64 4.18 -0.02 -5.58 1.43 -1.26 -4.86 118.68 110.93 1zkh s LEU 19 Ca 0.29 1.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1zkh s LEU 19 Cb 0.24 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.97 1zkh s LEU 19 CO 0.06 -0.57 1.03 0.59 0.23 0.00 0.00 176.35 177.69 1zkh n ASN 20 N 5.68 0.42 0.00 2.29 3.02 -1.20 -2.13 115.26 123.34 1zkh n ASN 20 Ca 0.11 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1zkh n ASN 20 Cb 0.47 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1zkh n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zkh n GLY 21 N -0.25 2.42 3.49 7.41 0.00 -0.60 -4.76 105.19 112.90 1zkh n GLY 21 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1zkh n GLY 21 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1zkh s GLN 22 N -0.06 -1.60 -0.11 1.61 0.00 -1.25 -4.52 119.66 113.73 1zkh s GLN 22 Ca 0.00 0.19 0.02 0.00 -0.00 0.00 0.00 55.36 55.57 1zkh s GLN 22 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 33.01 31.49 1zkh s GLN 22 CO 0.00 -4.01 -0.19 0.08 0.00 0.00 0.00 175.29 171.17 1zkh s VAL 23 N -2.68 1.75 -0.04 3.63 1.01 -1.26 -0.83 120.40 121.98 1zkh s VAL 23 Ca 0.69 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1zkh s VAL 23 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1zkh s VAL 23 CO 0.58 0.49 0.66 -0.76 0.00 0.00 0.00 175.10 176.07 1zkh s LEU 24 N 0.77 4.36 -0.26 3.92 1.43 0.20 -4.91 118.68 124.19 1zkh s LEU 24 Ca -0.10 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1zkh s LEU 24 Cb -0.16 -3.02 0.07 0.00 0.03 0.00 0.00 46.19 43.11 1zkh s LEU 24 CO 0.01 -0.02 -0.03 -0.69 0.23 0.00 0.00 176.35 175.85 1zkh s VAL 25 N 0.36 1.70 0.32 -1.59 1.01 -1.26 0.22 120.40 121.16 1zkh s VAL 25 Ca 0.35 -1.50 0.06 0.00 0.00 0.00 0.00 61.98 60.89 1zkh s VAL 25 Cb -0.18 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1zkh s VAL 25 CO 0.18 -0.23 -0.01 -0.36 0.00 0.00 0.00 175.10 174.68 1zkh s PHE 26 N 1.28 2.09 -0.14 5.22 0.08 0.38 -4.99 117.98 121.90 1zkh s PHE 26 Ca -0.02 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.27 1zkh s PHE 26 Cb -0.19 -1.30 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1zkh s PHE 26 CO -0.08 0.24 -0.11 0.99 -0.10 0.00 0.00 175.22 176.16 1zkh s THR 27 N -3.02 1.35 0.05 0.64 2.01 -1.26 -0.44 115.64 114.97 1zkh s THR 27 Ca 0.33 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1zkh s THR 27 Cb 0.06 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1zkh s THR 27 CO 0.14 0.42 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.63 1zkh s LEU 28 N 1.57 2.26 0.52 4.42 1.43 -0.68 -4.89 118.68 123.32 1zkh s LEU 28 Ca 0.05 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 1zkh s LEU 28 Cb -0.13 -0.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.76 1zkh s LEU 28 CO -0.10 -0.16 1.13 -2.16 0.23 0.00 0.00 176.35 175.29 1zkh s PRO 29 N -1.61 3.46 0.14 1.29 0.04 -1.26 -0.87 135.00 136.19 1zkh s PRO 29 Ca -0.07 1.63 0.12 0.00 0.04 0.00 0.00 61.00 62.72 1zkh s PRO 29 Cb -0.10 -2.10 0.60 0.00 0.04 0.00 0.00 34.50 32.94 1zkh s PRO 29 CO 0.01 -0.76 1.37 -0.11 0.04 0.00 0.00 177.00 177.55 1zkh n LEU 30 N -1.11 0.27 0.20 -3.56 7.94 -1.26 -1.46 117.00 118.02 1zkh n LEU 30 Ca 0.11 0.61 0.07 0.00 -1.11 0.00 0.00 56.01 55.68 1zkh n LEU 30 Cb 0.50 -0.62 0.35 0.00 0.53 0.00 0.00 43.42 44.18 1zkh n LEU 30 CO 0.43 -0.62 0.70 0.71 -1.11 0.00 0.00 177.39 177.50 1zkh h THR 31 N 0.00 0.77 -2.44 1.96 1.35 -1.96 -1.95 112.91 110.64 1zkh h THR 31 Ca 0.00 -1.44 -0.15 0.00 -0.55 0.00 0.00 66.41 64.27 1zkh h THR 31 Cb 0.08 1.92 0.07 0.00 -1.73 0.00 0.00 68.15 68.48 1zkh h THR 31 CO 0.00 0.33 0.10 0.47 -0.25 0.00 0.00 175.52 176.17 1zkh n ASP 32 N -3.46 -0.68 -3.78 5.36 9.92 -0.53 -4.86 116.55 118.53 1zkh n ASP 32 Ca 0.00 -0.96 -0.13 0.00 -0.53 0.00 0.00 54.79 53.17 1zkh n ASP 32 Cb 0.50 -0.37 -0.07 0.00 -0.64 0.00 0.00 41.12 40.54 1zkh n ASP 32 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zkh s GLN 33 N -4.00 1.56 0.49 -1.24 0.00 -1.26 -1.67 119.66 113.55 1zkh s GLN 33 Ca 0.27 -1.60 0.18 0.00 -0.00 0.00 0.00 55.36 54.20 1zkh s GLN 33 Cb -0.02 0.38 1.21 0.00 0.00 0.00 0.00 33.01 34.58 1zkh s GLN 33 CO 0.20 -0.60 2.05 0.28 0.00 0.00 0.00 175.29 177.21 1zkh h VAL 34 N 2.32 0.89 -0.98 3.63 2.07 -1.78 -0.85 116.25 121.56 1zkh h VAL 34 Ca -0.30 -0.05 0.23 0.00 0.82 0.00 0.00 66.70 67.40 1zkh h VAL 34 Cb 1.25 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 1zkh h VAL 34 CO 0.42 0.03 0.63 0.28 0.02 0.00 0.00 177.57 178.95 1zkh h SER 35 N 0.16 0.47 0.27 0.57 0.02 -1.77 0.19 113.55 113.45 1zkh h SER 35 Ca 0.17 0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 61.03 1zkh h SER 35 Cb 0.47 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1zkh h SER 35 CO -0.02 0.15 -0.61 0.58 -1.14 0.00 0.00 176.83 175.78 1zkh h VAL 36 N 0.44 1.37 0.10 2.27 2.07 -1.55 -1.97 116.25 118.98 1zkh h VAL 36 Ca 0.54 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1zkh h VAL 36 Cb 1.29 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1zkh h VAL 36 CO -0.25 0.59 -0.05 0.40 0.02 0.00 0.00 177.57 178.29 1zkh h ILE 37 N 0.25 1.12 -0.59 4.57 1.08 -0.76 -2.01 117.51 121.16 1zkh h ILE 37 Ca -0.01 -1.27 0.04 0.00 -0.39 0.00 0.00 64.86 63.23 1zkh h ILE 37 Cb 1.14 1.87 -0.04 0.00 -3.07 0.00 0.00 36.82 36.71 1zkh h ILE 37 CO 0.10 0.29 0.34 0.07 -0.69 0.00 0.00 178.15 178.26 1zkh h LYS 38 N -0.76 0.65 -0.13 2.37 2.10 -1.12 0.48 116.57 120.15 1zkh h LYS 38 Ca -0.01 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.49 1zkh h LYS 38 Cb 0.57 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1zkh h LYS 38 CO 0.02 0.43 -0.39 -0.24 -2.00 0.00 0.00 179.45 177.27 1zkh h VAL 39 N 0.67 1.30 -0.23 0.07 3.04 -1.45 -0.21 116.25 119.44 1zkh h VAL 39 Ca 0.25 -1.47 -0.03 0.00 -1.01 0.00 0.00 66.70 64.44 1zkh h VAL 39 Cb 0.08 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1zkh h VAL 39 CO -0.13 0.44 0.02 0.50 -1.01 0.00 0.00 177.57 177.39 1zkh h LYS 40 N 0.23 0.39 -0.33 4.17 3.64 -0.51 -1.92 116.57 122.23 1zkh h LYS 40 Ca 0.02 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.15 1zkh h LYS 40 Cb 0.79 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1zkh h LYS 40 CO 0.06 0.55 -0.38 0.82 -2.27 0.00 0.00 179.45 178.23 1zkh h ILE 41 N 0.17 1.28 -0.63 2.00 2.04 -0.80 0.30 117.51 121.87 1zkh h ILE 41 Ca 0.07 -1.54 0.08 0.00 1.00 0.00 0.00 64.86 64.46 1zkh h ILE 41 Cb 0.36 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1zkh h ILE 41 CO 0.01 0.51 0.42 -0.74 0.00 0.00 0.00 178.15 178.34 1zkh h HIS 42 N 0.64 0.55 0.00 1.37 2.76 -0.89 0.31 115.15 119.89 1zkh h HIS 42 Ca 0.06 0.01 -0.30 0.00 -2.20 0.00 0.00 60.37 57.95 1zkh h HIS 42 Cb 0.93 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 1zkh h HIS 42 CO 0.05 0.27 -1.75 0.39 -1.30 0.00 0.00 177.93 175.59 1zkh n GLU 43 N -4.48 0.64 0.01 5.26 1.02 -0.74 -2.12 120.64 120.23 1zkh n GLU 43 Ca 0.10 0.28 -0.17 0.00 -0.02 0.00 0.00 57.16 57.34 1zkh n GLU 43 Cb 0.31 -1.77 -0.12 0.00 -0.02 0.00 0.00 31.44 29.84 1zkh n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1zkh h ALA 44 N 1.01 0.04 0.00 0.62 0.00 -0.36 -3.39 119.26 117.17 1zkh h ALA 44 Ca -0.30 -0.57 -0.35 0.00 0.00 0.00 0.00 54.91 53.68 1zkh h ALA 44 Cb 2.02 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.79 1zkh h ALA 44 CO 0.07 0.31 -2.33 0.25 0.00 0.00 0.00 179.25 177.55 1zkh n THR 45 N -4.25 1.34 0.00 0.00 -2.24 0.10 -4.73 114.28 104.50 1zkh n THR 45 Ca -0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1zkh n THR 45 Cb 0.67 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 1zkh n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zkh n GLY 46 N 2.34 1.41 3.60 3.38 0.00 -0.90 -4.08 105.19 110.93 1zkh n GLY 46 Ca -0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1zkh n GLY 46 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1zkh s MET 47 N 0.00 3.93 0.75 1.61 0.23 -1.24 -4.90 119.30 119.68 1zkh s MET 47 Ca 0.00 0.28 -0.13 0.00 -1.03 0.00 0.00 55.69 54.81 1zkh s MET 47 Cb 0.00 -3.71 0.05 0.00 -1.53 0.00 0.00 34.83 29.64 1zkh s MET 47 CO 0.00 -0.52 1.13 -1.25 -2.03 0.00 0.00 175.02 172.35 1zkh s PRO 48 N 2.52 2.22 0.27 3.16 0.04 -1.26 -3.15 135.00 138.79 1zkh s PRO 48 Ca 0.24 1.41 0.20 0.00 0.04 0.00 0.00 61.00 62.89 1zkh s PRO 48 Cb -0.15 -1.88 1.01 0.00 0.04 0.00 0.00 34.50 33.52 1zkh s PRO 48 CO 0.11 -1.71 1.61 0.00 0.04 0.00 0.00 177.00 177.05 1zkh n ALA 49 N -3.12 1.20 -0.17 8.56 0.00 -1.26 -1.95 120.51 123.78 1zkh n ALA 49 Ca 0.11 0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.86 1zkh n ALA 49 Cb 0.52 -1.30 0.51 0.00 0.00 0.00 0.00 19.45 19.18 1zkh n ALA 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1zkh h GLY 50 N 0.61 0.69 0.00 0.00 0.00 -1.98 -3.06 103.07 99.32 1zkh h GLY 50 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1zkh h GLY 50 CO 0.00 0.05 0.00 0.28 0.00 0.00 0.00 176.54 176.87 1zkh n LYS 51 N -4.48 3.44 -3.27 4.80 4.01 -0.93 -4.92 118.16 116.81 1zkh n LYS 51 Ca 0.15 -0.07 -0.41 0.00 -0.51 0.00 0.00 58.31 57.47 1zkh n LYS 51 Cb 0.55 -0.44 -0.08 0.00 -0.51 0.00 0.00 35.03 34.56 1zkh n LYS 51 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1zkh s GLN 52 N -0.51 3.75 -0.04 1.97 -0.44 -0.82 0.60 119.66 124.18 1zkh s GLN 52 Ca 0.00 -0.06 -0.00 0.00 -2.50 0.00 0.00 55.36 52.80 1zkh s GLN 52 Cb 0.00 -3.76 -0.03 0.00 -1.64 0.00 0.00 33.01 27.58 1zkh s GLN 52 CO 0.00 -0.53 0.01 0.15 0.50 0.00 0.00 175.29 175.42 1zkh s LYS 53 N 2.31 2.90 -0.14 1.67 -0.14 0.98 -4.60 119.74 122.71 1zkh s LYS 53 Ca 0.18 -0.51 0.02 0.00 -1.36 0.00 0.00 55.97 54.30 1zkh s LYS 53 Cb -0.16 -2.74 0.01 0.00 -1.68 0.00 0.00 37.83 33.27 1zkh s LYS 53 CO 0.12 0.66 -0.22 -0.51 -0.76 0.00 0.00 175.35 174.64 1zkh s LEU 54 N -1.29 2.11 -0.20 3.17 1.43 -1.26 -0.94 118.68 121.69 1zkh s LEU 54 Ca 0.17 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1zkh s LEU 54 Cb -0.11 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.67 1zkh s LEU 54 CO 0.07 0.07 -0.13 -1.58 0.23 0.00 0.00 176.35 175.02 1zkh s GLN 55 N 0.86 3.13 -0.45 1.70 0.74 0.26 -0.66 119.66 125.24 1zkh s GLN 55 Ca -0.06 -0.76 -0.12 0.00 0.05 0.00 0.00 55.36 54.47 1zkh s GLN 55 Cb -0.15 -2.78 0.08 0.00 1.10 0.00 0.00 33.01 31.25 1zkh s GLN 55 CO -0.03 -0.22 0.33 -0.47 -0.55 0.00 0.00 175.29 174.34 1zkh s TYR 56 N 1.37 3.30 -1.56 1.67 5.04 0.18 0.74 117.35 128.07 1zkh s TYR 56 Ca 0.05 -1.27 0.00 0.00 -2.44 0.00 0.00 57.07 53.41 1zkh s TYR 56 Cb -0.14 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 39.09 1zkh s TYR 56 CO -0.08 -0.83 0.00 0.39 -1.34 0.00 0.00 175.55 173.68 1zkh n GLU 57 N 5.05 -1.85 -0.08 4.97 -0.58 -1.20 -1.35 120.64 125.60 1zkh n GLU 57 Ca -0.11 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 1zkh n GLU 57 Cb 0.43 -5.52 0.00 0.00 -0.57 0.00 0.00 31.44 25.78 1zkh n GLU 57 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zkh n GLY 58 N -0.93 0.96 3.08 0.62 0.00 -1.26 -5.07 105.19 102.58 1zkh n GLY 58 Ca -0.21 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1zkh n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zkh s ILE 59 N -2.00 2.05 -0.90 -0.61 1.01 -0.46 -5.06 121.20 115.23 1zkh s ILE 59 Ca 0.00 -1.29 -0.24 0.00 0.00 0.00 0.00 60.65 59.12 1zkh s ILE 59 Cb 0.00 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1zkh s ILE 59 CO 0.00 0.21 1.57 -0.36 0.00 0.00 0.00 174.94 176.36 1zkh s PHE 60 N 1.22 2.24 0.50 3.97 0.40 -1.26 0.47 117.98 125.51 1zkh s PHE 60 Ca -0.03 -0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 55.91 1zkh s PHE 60 Cb -0.17 -4.48 -0.08 0.00 0.51 0.00 0.00 43.02 38.81 1zkh s PHE 60 CO -0.08 -1.95 1.04 0.96 0.70 0.00 0.00 175.22 175.88 1zkh s ILE 61 N 6.69 3.80 0.37 0.64 -4.36 0.17 -4.97 121.20 123.54 1zkh s ILE 61 Ca 0.52 1.08 0.04 0.00 -0.26 0.00 0.00 60.65 62.02 1zkh s ILE 61 Cb -0.04 -3.44 -0.06 0.00 1.25 0.00 0.00 42.46 40.16 1zkh s ILE 61 CO -0.00 -0.28 0.05 -1.59 0.24 0.00 0.00 174.94 173.35 1zkh s LYS 62 N -3.37 1.79 0.59 0.37 0.00 -1.26 -4.29 119.74 113.58 1zkh s LYS 62 Ca 0.67 -2.02 0.39 0.00 0.00 0.00 0.00 55.97 55.01 1zkh s LYS 62 Cb -0.16 -1.08 2.14 0.00 0.00 0.00 0.00 37.83 38.72 1zkh s LYS 62 CO 0.23 -0.19 2.20 0.22 0.00 0.00 0.00 175.35 177.81 1zkh h ASP 63 N 1.95 0.00 -0.26 0.03 3.58 -1.97 -1.61 116.42 118.13 1zkh h ASP 63 Ca -0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1zkh h ASP 63 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1zkh h ASP 63 CO 0.72 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.88 1zkh n SER 64 N -2.89 1.41 -4.57 2.28 7.64 -1.26 -4.34 113.62 111.88 1zkh n SER 64 Ca -0.03 -2.00 -0.27 0.00 1.01 0.00 0.00 58.87 57.58 1zkh n SER 64 Cb 0.08 -0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 1zkh n SER 64 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1zkh s ASN 65 N -0.99 3.49 0.31 6.43 0.01 -0.61 -5.10 114.94 118.47 1zkh s ASN 65 Ca 0.17 -1.41 0.03 0.00 -0.71 0.00 0.00 52.86 50.94 1zkh s ASN 65 Cb 0.09 -0.19 -0.06 0.00 0.41 0.00 0.00 41.25 41.50 1zkh s ASN 65 CO 0.12 -0.55 0.07 -0.94 -1.51 0.00 0.00 177.10 174.28 1zkh s SER 66 N -3.67 2.10 0.12 -1.22 1.04 -1.26 -2.73 113.70 108.07 1zkh s SER 66 Ca 0.32 -1.38 -0.16 0.00 0.48 0.00 0.00 55.95 55.22 1zkh s SER 66 Cb 0.09 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1zkh s SER 66 CO 0.16 -0.63 1.57 -0.07 0.98 0.00 0.00 173.24 175.24 1zkh h LEU 67 N 2.18 0.63 -1.30 2.42 3.38 -1.49 -2.65 115.31 118.48 1zkh h LEU 67 Ca -0.40 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.31 1zkh h LEU 67 Cb 1.24 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1zkh h LEU 67 CO 0.68 0.77 0.49 0.00 0.09 0.00 0.00 178.44 180.47 1zkh h ALA 68 N 0.88 1.55 -1.01 1.53 0.00 -1.52 0.01 119.26 120.71 1zkh h ALA 68 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1zkh h ALA 68 Cb 0.44 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1zkh h ALA 68 CO 0.02 0.38 0.66 -0.92 0.00 0.00 0.00 179.25 179.38 1zkh h TYR 69 N 0.92 1.25 -0.01 0.00 3.20 -1.78 -0.67 116.97 119.87 1zkh h TYR 69 Ca 0.30 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1zkh h TYR 69 Cb 0.04 -0.42 0.00 0.00 1.54 0.00 0.00 36.73 37.89 1zkh h TYR 69 CO -0.00 0.75 -0.13 0.66 -1.64 0.00 0.00 178.16 177.80 1zkh n TYR 70 N -4.42 0.00 -3.64 -3.82 4.01 -0.95 -4.94 117.16 103.40 1zkh n TYR 70 Ca 0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.65 1zkh n TYR 70 Cb 0.06 -0.05 0.06 0.00 -0.31 0.00 0.00 39.34 39.10 1zkh n TYR 70 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1zkh n ASN 71 N -0.12 -3.00 -4.56 7.72 5.03 -0.26 -4.83 115.26 115.24 1zkh n ASN 71 Ca 0.15 -0.70 -0.16 0.00 0.87 0.00 0.00 54.58 54.74 1zkh n ASN 71 Cb 0.37 -4.52 -0.08 0.00 -1.02 0.00 0.00 39.78 34.53 1zkh n ASN 71 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1zkh s MET 72 N -5.97 1.68 1.18 3.52 -1.94 -0.14 -4.92 119.30 112.71 1zkh s MET 72 Ca 0.22 0.13 -0.20 0.00 -1.71 0.00 0.00 55.69 54.14 1zkh s MET 72 Cb -0.11 -4.88 0.28 0.00 2.01 0.00 0.00 34.83 32.14 1zkh s MET 72 CO 0.78 -4.49 1.18 0.00 -0.01 0.00 0.00 175.02 172.47 1zkh s ALA 73 N 14.43 0.99 -0.08 3.03 0.00 -1.26 -4.85 121.76 134.01 1zkh s ALA 73 Ca 0.86 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1zkh s ALA 73 Cb -0.10 -2.81 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 1zkh s ALA 73 CO 0.09 -3.43 2.03 1.21 0.00 0.00 0.00 175.76 175.66 1zkh s ASN 74 N -4.26 6.07 0.00 0.00 3.84 -1.26 -2.56 114.94 116.77 1zkh s ASN 74 Ca 0.73 2.27 0.00 0.00 0.21 0.00 0.00 52.86 56.08 1zkh s ASN 74 Cb -0.06 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 1zkh s ASN 74 CO 0.55 -1.41 0.00 0.61 -2.79 0.00 0.00 177.10 174.06 1zkh n GLY 75 N 5.01 1.64 3.63 1.21 0.00 0.82 -4.85 105.19 112.64 1zkh n GLY 75 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1zkh n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zkh s ALA 76 N -2.00 3.40 -0.47 4.61 0.00 -0.60 -4.94 121.76 121.76 1zkh s ALA 76 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 1zkh s ALA 76 Cb 0.00 -3.74 0.06 0.00 0.00 0.00 0.00 23.12 19.44 1zkh s ALA 76 CO 0.00 -1.71 0.42 0.08 0.00 0.00 0.00 175.76 174.55 1zkh s VAL 77 N 3.97 5.19 0.15 0.00 1.01 -1.26 -0.55 120.40 128.90 1zkh s VAL 77 Ca 0.48 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1zkh s VAL 77 Cb -0.12 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1zkh s VAL 77 CO 0.20 -0.57 0.41 -0.63 0.00 0.00 0.00 175.10 174.52 1zkh s ILE 78 N 1.80 5.11 -0.20 2.22 -1.09 0.10 -3.20 121.20 125.94 1zkh s ILE 78 Ca 0.06 0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.66 1zkh s ILE 78 Cb -0.23 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1zkh s ILE 78 CO 0.08 0.07 -0.13 -1.00 -1.23 0.00 0.00 174.94 172.73 1zkh s HIS 79 N -1.64 2.88 0.01 3.97 3.76 0.23 0.45 115.29 124.95 1zkh s HIS 79 Ca 0.41 -1.39 -0.24 0.00 -0.15 0.00 0.00 55.06 53.68 1zkh s HIS 79 Cb -0.12 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 1zkh s HIS 79 CO 0.23 -0.71 0.73 -1.17 -0.85 0.00 0.00 174.74 172.97 1zkh s LEU 80 N 1.36 4.41 -0.01 0.89 2.96 0.11 -0.58 118.68 127.83 1zkh s LEU 80 Ca 0.05 1.34 -0.10 0.00 -0.22 0.00 0.00 54.13 55.20 1zkh s LEU 80 Cb -0.14 -3.15 0.01 0.00 0.50 0.00 0.00 46.19 43.41 1zkh s LEU 80 CO -0.08 -0.01 0.19 0.00 -1.32 0.00 0.00 176.35 175.13 1zkh s ALA 81 N 0.18 -0.48 -0.19 5.97 0.00 -0.12 -3.79 121.76 123.33 1zkh s ALA 81 Ca 0.37 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 52.17 1zkh s ALA 81 Cb -0.19 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1zkh s ALA 81 CO 0.21 -0.22 0.60 -1.17 0.00 0.00 0.00 175.76 175.18 1zkh s LEU 82 N -1.32 4.16 0.01 0.00 2.96 -1.26 -0.02 118.68 123.21 1zkh s LEU 82 Ca -0.14 0.81 -0.13 0.00 -0.22 0.00 0.00 54.13 54.45 1zkh s LEU 82 Cb -0.07 -2.85 -0.07 0.00 0.50 0.00 0.00 46.19 43.70 1zkh s LEU 82 CO 0.02 -0.23 0.95 0.50 -1.32 0.00 0.00 176.35 176.27 1zkh h LYS 83 N 7.40 -0.46 -4.86 1.98 3.64 -0.20 -3.47 116.57 120.60 1zkh h LYS 83 Ca -0.33 0.03 -0.40 0.00 -1.27 0.00 0.00 60.65 58.68 1zkh h LYS 83 Cb 1.15 0.11 -0.28 0.00 -0.41 0.00 0.00 32.23 32.80 1zkh h LYS 83 CO 0.76 -0.31 -0.78 -1.83 -2.27 0.00 0.00 179.45 175.02 1zkh s GLU 84 N -3.61 0.78 0.00 1.90 -1.05 -1.26 -5.00 118.70 110.46 1zkh s GLU 84 Ca -0.07 -0.44 0.14 0.00 -0.15 0.00 0.00 54.97 54.45 1zkh s GLU 84 Cb 0.01 -0.75 0.23 0.00 -0.44 0.00 0.00 34.13 33.19 1zkh s GLU 84 CO 0.21 0.20 1.09 2.89 0.95 0.00 0.00 175.26 180.60 1zkh n ARG 85 N 2.59 0.00 0.00 -4.83 1.85 -1.26 -4.96 116.66 110.04 1zkh n ARG 85 Ca -0.15 -1.53 0.00 0.00 -1.00 0.00 0.00 57.85 55.17 1zkh n ARG 85 Cb 0.56 0.21 0.00 0.00 -1.05 0.00 0.00 32.46 32.18 1zkh n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03