#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 1.71 -0.22 0.52 -7.23 0.13 -4.89 120.40 110.41 1zkh s VAL 2 Ca 0.00 -2.11 -0.20 0.00 -1.81 0.00 0.00 61.98 57.86 1zkh s VAL 2 Cb 0.00 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1zkh s VAL 2 CO 0.00 -0.53 0.58 -0.44 -0.31 0.00 0.00 175.10 174.40 1zkh s SER 3 N -3.12 6.58 -0.02 4.85 0.01 -1.26 -1.62 113.70 119.12 1zkh s SER 3 Ca 0.20 0.70 0.05 0.00 1.31 0.00 0.00 55.95 58.22 1zkh s SER 3 Cb -0.02 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 1zkh s SER 3 CO 0.06 -0.28 -0.19 0.27 0.41 0.00 0.00 173.24 173.52 1zkh s ILE 4 N 2.07 1.49 0.07 1.44 -4.36 0.88 0.05 121.20 122.84 1zkh s ILE 4 Ca 0.25 -0.79 0.10 0.00 -0.26 0.00 0.00 60.65 59.95 1zkh s ILE 4 Cb -0.16 -1.25 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 1zkh s ILE 4 CO 0.09 0.42 -0.26 -0.54 0.24 0.00 0.00 174.94 174.90 1zkh s LYS 5 N -0.30 1.61 -0.29 0.37 1.02 0.38 0.24 119.74 122.77 1zkh s LYS 5 Ca 0.04 -1.17 0.03 0.00 0.02 0.00 0.00 55.97 54.88 1zkh s LYS 5 Cb -0.09 -1.89 0.08 0.00 -0.52 0.00 0.00 37.83 35.41 1zkh s LYS 5 CO 0.00 0.47 -0.03 0.08 -0.92 0.00 0.00 175.35 174.95 1zkh s VAL 6 N -0.90 2.09 -0.63 3.17 1.01 0.72 0.01 120.40 125.86 1zkh s VAL 6 Ca 0.12 -1.85 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 1zkh s VAL 6 Cb -0.10 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1zkh s VAL 6 CO 0.03 -0.28 1.61 -1.58 0.00 0.00 0.00 175.10 174.88 1zkh s GLN 7 N 1.08 2.95 0.07 2.72 -0.44 0.19 -0.35 119.66 125.87 1zkh s GLN 7 Ca -0.00 0.37 -0.31 0.00 -2.50 0.00 0.00 55.36 52.93 1zkh s GLN 7 Cb -0.19 -4.27 -0.06 0.00 -1.64 0.00 0.00 33.01 26.84 1zkh s GLN 7 CO -0.07 -2.38 1.28 0.08 0.50 0.00 0.00 175.29 174.70 1zkh s VAL 8 N 7.45 3.78 0.56 1.34 1.01 -0.15 -0.37 120.40 134.02 1zkh s VAL 8 Ca 0.56 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 63.60 1zkh s VAL 8 Cb -0.11 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1zkh s VAL 8 CO 0.20 0.08 1.20 -2.16 0.00 0.00 0.00 175.10 174.43 1zkh s PRO 9 N 1.25 3.16 -1.08 2.72 0.04 -1.25 -3.47 135.00 136.37 1zkh s PRO 9 Ca 0.61 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 63.25 1zkh s PRO 9 Cb -0.32 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1zkh s PRO 9 CO 0.29 -1.06 1.80 -0.80 0.04 0.00 0.00 177.00 177.27 1zkh s ASN 10 N -1.53 5.70 -0.45 6.66 -0.87 -1.26 -1.78 114.94 121.40 1zkh s ASN 10 Ca 0.74 -1.44 0.06 0.00 -1.57 0.00 0.00 52.86 50.65 1zkh s ASN 10 Cb -0.30 -2.57 0.21 0.00 -0.02 0.00 0.00 41.25 38.57 1zkh s ASN 10 CO 0.34 -2.30 0.47 0.23 -2.57 0.00 0.00 177.10 173.27 1zkh n MET 11 N 8.62 0.80 0.03 -0.60 2.81 -1.24 -4.78 117.12 122.75 1zkh n MET 11 Ca 0.42 -3.47 -0.19 0.00 -1.81 0.00 0.00 57.70 52.65 1zkh n MET 11 Cb 0.48 -1.60 -0.14 0.00 -0.71 0.00 0.00 33.22 31.25 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 4.78 0.30 -0.00 0.03 7.50 -1.78 -3.36 115.11 122.58 1zkh h GLN 12 Ca 0.17 -0.45 0.00 0.00 0.50 0.00 0.00 58.65 58.87 1zkh h GLN 12 Cb 0.86 0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.55 1zkh h GLN 12 CO 0.49 1.19 0.00 -3.47 -1.50 0.00 0.00 178.83 175.54 1zkh n ASP 13 N -4.19 1.38 -0.21 1.46 -0.08 -1.26 -4.58 116.55 109.07 1zkh n ASP 13 Ca -0.13 -1.37 0.13 0.00 -1.51 0.00 0.00 54.79 51.92 1zkh n ASP 13 Cb 0.76 -0.00 0.43 0.00 2.34 0.00 0.00 41.12 44.65 1zkh n ASP 13 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1zkh n LYS 14 N -0.16 0.79 -2.68 -0.67 4.76 -1.26 -4.94 118.16 114.00 1zkh n LYS 14 Ca 0.00 -0.42 -0.04 0.00 -2.87 0.00 0.00 58.31 54.98 1zkh n LYS 14 Cb 0.10 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.81 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 -0.74 0.00 0.41 -0.18 5.66 -1.26 -5.05 114.28 113.12 1zkh n THR 15 Ca 0.13 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.72 1zkh n THR 15 Cb 0.33 0.54 0.13 0.00 -1.55 0.00 0.00 70.33 69.78 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 -0.35 1.90 -2.50 1.09 0.28 -1.26 -4.89 120.64 114.92 1zkh n GLU 16 Ca -0.04 -1.83 -0.23 0.00 -0.16 0.00 0.00 57.16 54.90 1zkh n GLU 16 Cb 0.34 -1.37 0.05 0.00 1.43 0.00 0.00 31.44 31.89 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 -1.32 2.91 -0.05 -1.84 0.51 -1.26 -4.96 118.94 112.92 1zkh s TRP 17 Ca 0.26 0.17 0.00 0.00 -2.12 0.00 0.00 56.10 54.42 1zkh s TRP 17 Cb 0.16 -2.88 0.06 0.00 -0.81 0.00 0.00 33.47 30.01 1zkh s TRP 17 CO 0.23 -1.02 1.22 0.36 -0.51 0.00 0.00 176.95 177.23 1zkh n LYS 18 N -2.53 1.13 -2.92 4.98 -0.00 -1.26 -4.87 118.16 112.69 1zkh n LYS 18 Ca 0.08 -0.30 -0.40 0.00 -0.00 0.00 0.00 58.31 57.68 1zkh n LYS 18 Cb 0.60 -1.12 -0.05 0.00 -0.00 0.00 0.00 35.03 34.46 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 -0.33 4.42 0.00 -5.58 1.43 -1.26 -4.89 118.68 112.46 1zkh s LEU 19 Ca 0.06 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1zkh s LEU 19 Cb 0.05 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1zkh s LEU 19 CO 0.01 -0.06 0.78 0.59 0.23 0.00 0.00 176.35 177.90 1zkh n ASN 20 N 3.16 0.00 0.00 2.29 3.02 -1.22 -2.40 115.26 120.11 1zkh n ASN 20 Ca -0.00 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 1zkh n ASN 20 Cb 0.50 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.00 1.31 3.68 7.41 0.00 -0.74 -4.72 105.19 112.13 1zkh n GLY 21 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.26 0.07 -0.09 1.61 0.00 -1.24 -4.68 119.66 115.07 1zkh s GLN 22 Ca 0.00 0.29 0.04 0.00 -0.00 0.00 0.00 55.36 55.69 1zkh s GLN 22 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 33.01 31.30 1zkh s GLN 22 CO 0.00 -2.92 -0.21 0.54 0.00 0.00 0.00 175.29 172.70 1zkh s VAL 23 N -3.05 1.82 0.18 3.63 0.11 -1.26 -0.98 120.40 120.84 1zkh s VAL 23 Ca 0.67 -0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 58.72 1zkh s VAL 23 Cb -0.15 -1.58 -0.07 0.00 -1.53 0.00 0.00 36.38 33.04 1zkh s VAL 23 CO 0.56 0.51 0.53 -0.76 -3.33 0.00 0.00 175.10 172.61 1zkh s LEU 24 N 0.37 4.26 -0.21 2.54 1.43 0.53 -4.91 118.68 122.68 1zkh s LEU 24 Ca -0.16 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1zkh s LEU 24 Cb -0.17 -3.43 0.06 0.00 0.03 0.00 0.00 46.19 42.68 1zkh s LEU 24 CO 0.07 0.03 0.01 -0.69 0.23 0.00 0.00 176.35 176.00 1zkh s VAL 25 N -1.62 0.87 0.28 -1.59 1.01 -1.26 -0.20 120.40 117.88 1zkh s VAL 25 Ca 0.42 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1zkh s VAL 25 Cb -0.13 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1zkh s VAL 25 CO 0.20 -0.20 -0.06 -0.36 0.00 0.00 0.00 175.10 174.68 1zkh s PHE 26 N 1.69 2.54 -0.17 5.22 0.40 0.14 -4.98 117.98 122.82 1zkh s PHE 26 Ca -0.02 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1zkh s PHE 26 Cb -0.18 -1.17 0.04 0.00 0.51 0.00 0.00 43.02 42.22 1zkh s PHE 26 CO -0.08 0.63 -0.08 0.99 0.70 0.00 0.00 175.22 177.38 1zkh s THR 27 N -2.41 1.32 0.06 0.64 2.01 -1.26 -0.09 115.64 115.92 1zkh s THR 27 Ca 0.31 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1zkh s THR 27 Cb -0.05 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1zkh s THR 27 CO 0.18 0.19 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.45 1zkh s LEU 28 N 1.55 2.31 0.62 4.42 1.43 -0.64 -4.87 118.68 123.50 1zkh s LEU 28 Ca 0.01 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.28 1zkh s LEU 28 Cb -0.15 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.78 1zkh s LEU 28 CO -0.08 -0.21 1.16 -2.16 0.23 0.00 0.00 176.35 175.29 1zkh s PRO 29 N -2.04 2.92 0.00 1.29 0.04 -1.26 -0.69 135.00 135.25 1zkh s PRO 29 Ca -0.03 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1zkh s PRO 29 Cb -0.07 -1.94 0.38 0.00 0.04 0.00 0.00 34.50 32.90 1zkh s PRO 29 CO 0.00 -1.21 1.05 -0.11 0.04 0.00 0.00 177.00 176.78 1zkh n LEU 30 N -1.88 0.00 0.17 -3.56 7.94 -1.26 -1.46 117.00 116.95 1zkh n LEU 30 Ca 0.12 0.23 0.11 0.00 -1.11 0.00 0.00 56.01 55.35 1zkh n LEU 30 Cb 0.51 -0.23 0.09 0.00 0.53 0.00 0.00 43.42 44.32 1zkh n LEU 30 CO 0.45 -0.17 0.48 0.71 -1.11 0.00 0.00 177.39 177.75 1zkh h THR 31 N 0.00 0.10 -2.76 1.96 1.35 -1.97 -2.50 112.91 109.09 1zkh h THR 31 Ca 0.00 -1.15 -0.20 0.00 -0.55 0.00 0.00 66.41 64.51 1zkh h THR 31 Cb 0.05 1.88 0.09 0.00 -1.73 0.00 0.00 68.15 68.44 1zkh h THR 31 CO 0.00 0.05 0.17 0.47 -0.25 0.00 0.00 175.52 175.96 1zkh n ASP 32 N -2.97 -0.35 -3.74 5.36 9.92 -0.53 -4.88 116.55 119.36 1zkh n ASP 32 Ca 0.02 -1.13 -0.13 0.00 -0.53 0.00 0.00 54.79 53.02 1zkh n ASP 32 Cb 0.57 -0.49 -0.07 0.00 -0.64 0.00 0.00 41.12 40.49 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 -4.35 1.57 0.52 -1.24 0.00 -1.26 -1.69 119.66 113.21 1zkh s GLN 33 Ca 0.36 -1.65 0.22 0.00 -0.00 0.00 0.00 55.36 54.29 1zkh s GLN 33 Cb -0.02 0.37 1.41 0.00 0.00 0.00 0.00 33.01 34.77 1zkh s GLN 33 CO 0.26 -0.60 2.13 0.28 0.00 0.00 0.00 175.29 177.35 1zkh h VAL 34 N 2.31 0.80 -0.88 3.63 2.07 -1.57 -1.05 116.25 121.57 1zkh h VAL 34 Ca -0.30 -0.27 0.22 0.00 0.82 0.00 0.00 66.70 67.17 1zkh h VAL 34 Cb 1.24 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 1zkh h VAL 34 CO 0.42 0.07 0.60 -1.28 0.02 0.00 0.00 177.57 177.40 1zkh h SER 35 N 0.00 0.27 0.81 0.57 0.87 -1.74 0.17 113.55 114.50 1zkh h SER 35 Ca -0.00 0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.40 1zkh h SER 35 Cb 0.15 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1zkh h SER 35 CO 0.01 0.10 -0.90 0.58 -0.53 0.00 0.00 176.83 176.10 1zkh h VAL 36 N 0.27 1.60 -0.02 2.23 2.07 -1.54 -2.87 116.25 117.99 1zkh h VAL 36 Ca 0.45 -2.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 1zkh h VAL 36 Cb 1.32 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1zkh h VAL 36 CO -0.12 0.85 -0.04 0.40 0.02 0.00 0.00 177.57 178.67 1zkh h ILE 37 N 0.02 1.46 -0.95 4.57 1.08 -0.79 -2.07 117.51 120.83 1zkh h ILE 37 Ca -0.02 -1.42 0.03 0.00 -0.39 0.00 0.00 64.86 63.06 1zkh h ILE 37 Cb 1.57 2.37 -0.05 0.00 -3.07 0.00 0.00 36.82 37.63 1zkh h ILE 37 CO 0.12 0.38 0.62 0.07 -0.69 0.00 0.00 178.15 178.65 1zkh h LYS 38 N -0.50 1.19 -0.26 2.37 2.10 -1.17 -1.78 116.57 118.52 1zkh h LYS 38 Ca -0.00 -0.07 -0.17 0.00 -2.00 0.00 0.00 60.65 58.41 1zkh h LYS 38 Cb 0.64 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1zkh h LYS 38 CO 0.01 0.79 -0.49 -0.24 -2.00 0.00 0.00 179.45 177.52 1zkh h VAL 39 N 1.23 1.29 -0.36 0.07 3.04 -1.54 -1.92 116.25 118.06 1zkh h VAL 39 Ca 0.37 -1.68 -0.08 0.00 -1.01 0.00 0.00 66.70 64.30 1zkh h VAL 39 Cb -0.04 1.69 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 1zkh h VAL 39 CO -0.11 0.54 -0.10 0.07 -1.01 0.00 0.00 177.57 176.97 1zkh h LYS 40 N 0.55 0.62 -0.32 4.17 2.10 -1.06 -1.24 116.57 121.38 1zkh h LYS 40 Ca 0.01 -0.18 -0.14 0.00 -2.00 0.00 0.00 60.65 58.34 1zkh h LYS 40 Cb 1.09 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1zkh h LYS 40 CO 0.11 0.71 -0.34 0.82 -2.00 0.00 0.00 179.45 178.75 1zkh h ILE 41 N 0.57 1.29 -0.59 0.07 2.04 -1.31 -0.63 117.51 118.94 1zkh h ILE 41 Ca 0.10 -1.51 0.06 0.00 1.00 0.00 0.00 64.86 64.51 1zkh h ILE 41 Cb 0.51 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1zkh h ILE 41 CO 0.03 0.49 0.39 -0.74 0.00 0.00 0.00 178.15 178.32 1zkh h HIS 42 N 0.57 0.58 0.07 1.37 2.76 -0.84 0.20 115.15 119.86 1zkh h HIS 42 Ca 0.05 0.01 -0.27 0.00 -2.20 0.00 0.00 60.37 57.97 1zkh h HIS 42 Cb 0.92 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 1zkh h HIS 42 CO 0.07 0.31 -1.33 0.93 -1.30 0.00 0.00 177.93 176.62 1zkh h GLU 43 N 0.58 0.14 0.11 5.26 5.08 -1.05 -1.92 114.58 122.77 1zkh h GLU 43 Ca 0.25 -0.24 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1zkh h GLU 43 Cb 0.27 0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.63 1zkh h GLU 43 CO -0.07 1.02 -0.80 0.00 -1.00 0.00 0.00 179.01 178.16 1zkh h ALA 44 N 0.74 -0.05 0.00 3.43 0.00 -0.46 -3.40 119.26 119.52 1zkh h ALA 44 Ca -0.15 -0.67 -0.38 0.00 0.00 0.00 0.00 54.91 53.70 1zkh h ALA 44 Cb 1.93 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.74 1zkh h ALA 44 CO 0.15 0.39 -2.35 0.25 0.00 0.00 0.00 179.25 177.69 1zkh n THR 45 N -4.12 1.35 0.00 0.00 -2.24 0.66 -4.75 114.28 105.16 1zkh n THR 45 Ca -0.13 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1zkh n THR 45 Cb 0.80 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 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 1.92 1.16 3.60 3.38 0.00 -0.72 -4.14 105.19 110.39 1zkh n GLY 46 Ca -0.45 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 3.88 0.78 1.61 0.23 -1.25 -4.94 119.30 119.61 1zkh s MET 47 Ca 0.00 0.32 -0.11 0.00 -1.03 0.00 0.00 55.69 54.87 1zkh s MET 47 Cb 0.00 -3.74 0.06 0.00 -1.53 0.00 0.00 34.83 29.62 1zkh s MET 47 CO 0.00 -0.62 1.10 -1.25 -2.03 0.00 0.00 175.02 172.22 1zkh s PRO 48 N 2.71 2.11 0.30 3.16 0.04 -1.26 -3.25 135.00 138.80 1zkh s PRO 48 Ca 0.27 1.27 0.23 0.00 0.04 0.00 0.00 61.00 62.80 1zkh s PRO 48 Cb -0.15 -1.87 1.11 0.00 0.04 0.00 0.00 34.50 33.63 1zkh s PRO 48 CO 0.12 -1.77 1.69 0.00 0.04 0.00 0.00 177.00 177.09 1zkh n ALA 49 N -3.51 1.30 -0.00 8.56 0.00 -1.26 -2.30 120.51 123.29 1zkh n ALA 49 Ca 0.10 0.16 0.18 0.00 0.00 0.00 0.00 53.44 53.88 1zkh n ALA 49 Cb 0.53 -1.35 0.65 0.00 0.00 0.00 0.00 19.45 19.28 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 0.94 0.11 0.00 0.00 0.00 -1.98 -2.91 103.07 99.23 1zkh h GLY 50 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1zkh h GLY 50 CO 0.00 0.01 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1zkh n LYS 51 N -4.41 1.23 -3.45 4.80 4.01 -1.05 -4.97 118.16 114.32 1zkh n LYS 51 Ca 0.09 -0.17 -0.40 0.00 -0.51 0.00 0.00 58.31 57.32 1zkh n LYS 51 Cb 0.55 -0.59 -0.10 0.00 -0.51 0.00 0.00 35.03 34.38 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 -0.22 3.56 -0.05 1.97 -0.44 -0.97 0.29 119.66 123.79 1zkh s GLN 52 Ca 0.00 -0.49 -0.00 0.00 -2.50 0.00 0.00 55.36 52.37 1zkh s GLN 52 Cb 0.00 -3.80 -0.03 0.00 -1.64 0.00 0.00 33.01 27.54 1zkh s GLN 52 CO 0.00 -0.48 -0.02 0.15 0.50 0.00 0.00 175.29 175.44 1zkh s LYS 53 N 1.91 2.85 -0.18 1.67 -0.14 0.59 -4.64 119.74 121.80 1zkh s LYS 53 Ca 0.10 -0.51 -0.00 0.00 -1.36 0.00 0.00 55.97 54.19 1zkh s LYS 53 Cb -0.17 -2.70 0.01 0.00 -1.68 0.00 0.00 37.83 33.29 1zkh s LYS 53 CO 0.11 0.67 -0.16 -0.51 -0.76 0.00 0.00 175.35 174.70 1zkh s LEU 54 N -1.09 2.36 -0.24 3.17 1.43 -1.26 -1.12 118.68 121.93 1zkh s LEU 54 Ca 0.15 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1zkh s LEU 54 Cb -0.11 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1zkh s LEU 54 CO 0.05 0.02 -0.05 -1.58 0.23 0.00 0.00 176.35 175.02 1zkh s GLN 55 N 1.20 3.08 -0.39 1.70 0.74 0.17 -0.85 119.66 125.31 1zkh s GLN 55 Ca 0.02 -0.82 -0.12 0.00 0.05 0.00 0.00 55.36 54.49 1zkh s GLN 55 Cb -0.14 -3.01 0.03 0.00 1.10 0.00 0.00 33.01 31.00 1zkh s GLN 55 CO -0.07 -0.31 0.24 -0.47 -0.55 0.00 0.00 175.29 174.12 1zkh s TYR 56 N 1.40 3.25 -1.49 1.67 5.04 0.10 0.57 117.35 127.90 1zkh s TYR 56 Ca 0.03 -0.94 0.00 0.00 -2.44 0.00 0.00 57.07 53.72 1zkh s TYR 56 Cb -0.15 -2.54 0.00 0.00 0.35 0.00 0.00 41.96 39.62 1zkh s TYR 56 CO -0.04 -0.66 0.00 0.39 -1.34 0.00 0.00 175.55 173.90 1zkh n GLU 57 N 5.03 -1.90 -0.12 4.97 -0.58 -1.24 -1.31 120.64 125.50 1zkh n GLU 57 Ca -0.11 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1zkh n GLU 57 Cb 0.46 -5.47 0.00 0.00 -0.57 0.00 0.00 31.44 25.86 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 -0.90 0.94 3.18 0.62 0.00 -1.26 -5.07 105.19 102.70 1zkh n GLY 58 Ca -0.20 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 2.56 -0.86 -0.61 1.01 -0.43 -5.05 121.20 115.82 1zkh s ILE 59 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 1zkh s ILE 59 Cb 0.00 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 1zkh s ILE 59 CO 0.00 0.44 1.70 -0.36 0.00 0.00 0.00 174.94 176.72 1zkh s PHE 60 N 1.34 2.05 0.48 3.97 0.08 -1.26 0.02 117.98 124.67 1zkh s PHE 60 Ca 0.04 0.15 -0.19 0.00 0.12 0.00 0.00 56.93 57.05 1zkh s PHE 60 Cb -0.14 -4.32 -0.09 0.00 -0.57 0.00 0.00 43.02 37.90 1zkh s PHE 60 CO -0.09 -1.95 0.98 0.96 -0.10 0.00 0.00 175.22 175.02 1zkh s ILE 61 N 7.87 4.37 0.37 0.64 -4.36 -0.03 -5.00 121.20 125.06 1zkh s ILE 61 Ca 0.58 1.30 0.08 0.00 -0.26 0.00 0.00 60.65 62.36 1zkh s ILE 61 Cb -0.06 -3.63 -0.06 0.00 1.25 0.00 0.00 42.46 39.96 1zkh s ILE 61 CO 0.03 -0.49 -0.01 -1.59 0.24 0.00 0.00 174.94 173.12 1zkh s LYS 62 N -3.63 1.97 0.13 0.37 0.00 -1.26 -4.35 119.74 112.98 1zkh s LYS 62 Ca 0.61 -1.92 0.18 0.00 0.00 0.00 0.00 55.97 54.84 1zkh s LYS 62 Cb -0.10 -1.78 0.77 0.00 0.00 0.00 0.00 37.83 36.72 1zkh s LYS 62 CO 0.23 0.06 1.55 -0.40 0.00 0.00 0.00 175.35 176.79 1zkh n ASP 63 N -0.94 0.33 0.01 0.03 5.75 -1.26 -1.02 116.55 119.45 1zkh n ASP 63 Ca -0.04 0.59 0.13 0.00 -0.01 0.00 0.00 54.79 55.45 1zkh n ASP 63 Cb 0.64 -0.66 0.56 0.00 -1.03 0.00 0.00 41.12 40.63 1zkh n ASP 63 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1zkh n SER 64 N -1.87 0.05 -4.98 -1.12 7.64 -1.26 -3.54 113.62 108.53 1zkh n SER 64 Ca 0.02 0.51 -0.20 0.00 1.01 0.00 0.00 58.87 60.21 1zkh n SER 64 Cb 0.17 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.85 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 -3.09 6.02 0.32 6.43 0.01 -0.19 -5.02 114.94 119.42 1zkh s ASN 65 Ca 0.13 -0.10 0.06 0.00 -0.71 0.00 0.00 52.86 52.23 1zkh s ASN 65 Cb 0.17 -1.36 -0.06 0.00 0.41 0.00 0.00 41.25 40.40 1zkh s ASN 65 CO 0.49 -0.39 -0.01 -0.94 -1.51 0.00 0.00 177.10 174.74 1zkh s SER 66 N -4.14 2.90 0.13 -1.22 1.04 -1.26 -1.74 113.70 109.40 1zkh s SER 66 Ca 0.43 -1.29 -0.14 0.00 0.48 0.00 0.00 55.95 55.43 1zkh s SER 66 Cb -0.09 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 1zkh s SER 66 CO 0.31 -0.44 1.58 -0.07 0.98 0.00 0.00 173.24 175.60 1zkh h LEU 67 N 2.11 0.70 -1.36 2.42 3.38 -1.53 -2.46 115.31 118.58 1zkh h LEU 67 Ca -0.41 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 1zkh h LEU 67 Cb 1.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1zkh h LEU 67 CO 0.71 0.83 0.17 0.00 0.09 0.00 0.00 178.44 180.24 1zkh h ALA 68 N 0.90 1.50 -0.61 1.53 0.00 -1.63 0.16 119.26 121.11 1zkh h ALA 68 Ca 0.12 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1zkh h ALA 68 Cb 0.46 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1zkh h ALA 68 CO 0.02 0.39 0.29 -0.92 0.00 0.00 0.00 179.25 179.03 1zkh h TYR 69 N 0.61 0.52 -0.62 0.00 3.20 -1.75 -1.27 116.97 117.65 1zkh h TYR 69 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1zkh h TYR 69 Cb 0.12 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1zkh h TYR 69 CO 0.01 0.21 0.00 0.66 -1.64 0.00 0.00 178.16 177.39 1zkh n TYR 70 N -4.89 0.83 -3.63 -3.82 4.01 -1.07 -4.95 117.16 103.64 1zkh n TYR 70 Ca 0.08 -0.42 -0.22 0.00 -0.16 0.00 0.00 57.90 57.18 1zkh n TYR 70 Cb 0.21 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.30 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 1.40 -3.36 -4.56 7.72 5.03 -0.48 -4.85 115.26 116.16 1zkh n ASN 71 Ca 0.22 -0.68 -0.26 0.00 0.87 0.00 0.00 54.58 54.73 1zkh n ASN 71 Cb 0.55 -4.61 -0.05 0.00 -1.02 0.00 0.00 39.78 34.65 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 -5.98 2.49 0.25 3.52 -1.94 0.43 -4.95 119.30 113.12 1zkh s MET 72 Ca 0.26 -0.23 -0.04 0.00 -1.71 0.00 0.00 55.69 53.97 1zkh s MET 72 Cb -0.12 -5.04 0.06 0.00 2.01 0.00 0.00 34.83 31.74 1zkh s MET 72 CO 0.77 -3.45 0.31 0.00 -0.01 0.00 0.00 175.02 172.64 1zkh n ALA 73 N 14.30 -0.46 -1.69 3.03 0.00 -1.26 -4.86 120.51 129.57 1zkh n ALA 73 Ca 0.40 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1zkh n ALA 73 Cb 0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 1zkh n ALA 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1zkh s ASN 74 N -2.17 6.04 0.00 0.00 3.84 -1.26 -2.54 114.94 118.84 1zkh s ASN 74 Ca 0.18 2.26 0.00 0.00 0.21 0.00 0.00 52.86 55.51 1zkh s ASN 74 Cb -0.01 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1zkh s ASN 74 CO 0.13 -1.44 0.00 0.61 -2.79 0.00 0.00 177.10 173.60 1zkh n GLY 75 N 5.05 1.84 3.63 1.21 0.00 0.11 -4.87 105.19 112.16 1zkh n GLY 75 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 3.32 -0.50 4.61 0.00 -0.75 -4.91 121.76 121.53 1zkh s ALA 76 Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 1zkh s ALA 76 Cb 0.00 -3.80 0.07 0.00 0.00 0.00 0.00 23.12 19.39 1zkh s ALA 76 CO 0.00 -1.85 0.53 0.08 0.00 0.00 0.00 175.76 174.52 1zkh s VAL 77 N 4.57 5.04 0.14 0.00 1.01 -1.26 -0.47 120.40 129.42 1zkh s VAL 77 Ca 0.58 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1zkh s VAL 77 Cb -0.17 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1zkh s VAL 77 CO 0.25 -0.74 0.41 -0.63 0.00 0.00 0.00 175.10 174.39 1zkh s ILE 78 N 2.16 5.10 -0.23 2.22 -1.09 0.10 -3.70 121.20 125.76 1zkh s ILE 78 Ca 0.09 0.26 -0.03 0.00 -2.23 0.00 0.00 60.65 58.74 1zkh s ILE 78 Cb -0.22 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1zkh s ILE 78 CO 0.09 0.11 -0.04 -1.00 -1.23 0.00 0.00 174.94 172.86 1zkh s HIS 79 N -1.59 2.99 0.03 3.97 3.76 0.19 0.54 115.29 125.18 1zkh s HIS 79 Ca 0.39 -1.14 -0.27 0.00 -0.15 0.00 0.00 55.06 53.90 1zkh s HIS 79 Cb -0.13 -2.10 -0.05 0.00 1.11 0.00 0.00 32.58 31.42 1zkh s HIS 79 CO 0.22 -0.61 0.85 -1.17 -0.85 0.00 0.00 174.74 173.18 1zkh s LEU 80 N 1.43 4.42 -0.04 0.89 2.96 0.50 -0.66 118.68 128.19 1zkh s LEU 80 Ca 0.04 1.54 -0.12 0.00 -0.22 0.00 0.00 54.13 55.37 1zkh s LEU 80 Cb -0.15 -3.37 0.02 0.00 0.50 0.00 0.00 46.19 43.19 1zkh s LEU 80 CO -0.04 -0.09 0.27 0.00 -1.32 0.00 0.00 176.35 175.17 1zkh s ALA 81 N 0.35 -0.66 0.42 5.97 0.00 -0.28 -3.82 121.76 123.74 1zkh s ALA 81 Ca 0.44 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.54 1zkh s ALA 81 Cb -0.21 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.73 1zkh s ALA 81 CO 0.25 -0.21 0.98 -1.17 0.00 0.00 0.00 175.76 175.60 1zkh s LEU 82 N -0.90 4.01 0.20 0.00 2.96 -1.26 -0.30 118.68 123.39 1zkh s LEU 82 Ca -0.10 1.79 0.15 0.00 -0.22 0.00 0.00 54.13 55.75 1zkh s LEU 82 Cb -0.05 -4.42 0.77 0.00 0.50 0.00 0.00 46.19 42.99 1zkh s LEU 82 CO 0.03 -0.40 1.45 1.17 -1.32 0.00 0.00 176.35 177.27 1zkh n LYS 83 N -0.45 0.09 -1.35 1.98 4.81 0.15 -4.81 118.16 118.58 1zkh n LYS 83 Ca 0.06 0.57 -0.12 0.00 -0.87 0.00 0.00 58.31 57.95 1zkh n LYS 83 Cb 0.53 -1.79 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 1zkh n LYS 83 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1zkh n GLU 84 N -1.99 -1.16 0.07 1.64 1.02 -1.26 -4.86 120.64 114.10 1zkh n GLU 84 Ca -0.01 0.89 -0.22 0.00 -0.02 0.00 0.00 57.16 57.81 1zkh n GLU 84 Cb 0.04 -5.04 -0.15 0.00 -0.02 0.00 0.00 31.44 26.28 1zkh n GLU 84 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1zkh h ARG 85 N 0.06 0.38 0.00 3.49 9.65 -1.94 -3.56 114.38 122.46 1zkh h ARG 85 Ca -0.25 -0.64 0.00 0.00 -1.10 0.00 0.00 59.98 57.99 1zkh h ARG 85 Cb 0.95 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1zkh h ARG 85 CO 0.36 1.31 0.00 0.41 2.80 0.00 0.00 179.97 184.85