#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzf n ALA 3 N 0.00 2.02 -1.75 -1.46 0.00 -1.26 -4.98 120.51 113.08 3kzf n ALA 3 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 3kzf n ALA 3 Cb 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.12 3kzf n ALA 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kzf s GLY 4 N -3.04 2.86 0.21 0.00 0.00 -1.25 -4.98 107.32 101.11 3kzf s GLY 4 Ca 0.11 1.24 -0.29 0.00 0.00 0.00 0.00 44.72 45.78 3kzf s GLY 4 CO 0.41 1.73 0.91 0.54 0.00 0.00 0.00 173.10 176.70 3kzf s LYS 5 N -2.98 4.79 0.02 2.90 1.02 -1.26 -4.53 119.74 119.69 3kzf s LYS 5 Ca 0.73 1.42 -0.26 0.00 0.02 0.00 0.00 55.97 57.88 3kzf s LYS 5 Cb -0.38 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.59 3kzf s LYS 5 CO 0.44 0.48 0.81 0.95 -0.92 0.00 0.00 175.35 177.10 3kzf s THR 6 N -0.98 4.80 -0.05 2.17 -4.23 -1.26 -1.75 115.64 114.33 3kzf s THR 6 Ca 0.41 1.70 0.05 0.00 -1.18 0.00 0.00 61.69 62.67 3kzf s THR 6 Cb -0.25 -4.15 -0.02 0.00 1.34 0.00 0.00 72.50 69.41 3kzf s THR 6 CO 0.31 0.30 -0.19 0.54 -0.54 0.00 0.00 174.62 175.04 3kzf s VAL 7 N 0.30 2.66 -0.33 2.29 0.11 -0.70 -0.53 120.40 124.20 3kzf s VAL 7 Ca 0.41 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 3kzf s VAL 7 Cb -0.20 -2.01 0.07 0.00 -1.53 0.00 0.00 36.38 32.71 3kzf s VAL 7 CO 0.23 0.58 0.04 -0.69 -3.33 0.00 0.00 175.10 171.94 3kzf s VAL 8 N -0.56 2.94 -0.20 2.04 1.01 0.16 -2.83 120.40 122.96 3kzf s VAL 8 Ca 0.08 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.36 3kzf s VAL 8 Cb -0.11 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3kzf s VAL 8 CO 0.01 -0.28 0.04 -0.63 0.00 0.00 0.00 175.10 174.24 3kzf s ILE 9 N 1.19 4.38 -0.47 2.22 1.01 -0.65 -0.00 121.20 128.88 3kzf s ILE 9 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3kzf s ILE 9 Cb -0.20 -2.98 0.10 0.00 0.01 0.00 0.00 42.46 39.39 3kzf s ILE 9 CO -0.03 0.43 0.35 0.00 0.00 0.00 0.00 174.94 175.69 3kzf s ALA 10 N 0.78 3.42 0.54 9.38 0.00 0.46 -1.36 121.76 134.97 3kzf s ALA 10 Ca 0.02 -2.37 -0.22 0.00 0.00 0.00 0.00 51.96 49.39 3kzf s ALA 10 Cb -0.14 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 3kzf s ALA 10 CO 0.02 -1.83 1.33 -0.51 0.00 0.00 0.00 175.76 174.78 3kzf s LEU 11 N 1.45 3.86 0.48 0.00 2.01 -0.24 -1.32 118.68 124.92 3kzf s LEU 11 Ca 0.04 2.70 0.08 0.00 0.01 0.00 0.00 54.13 56.96 3kzf s LEU 11 Cb -0.26 -4.28 0.02 0.00 0.01 0.00 0.00 46.19 41.68 3kzf s LEU 11 CO 0.01 -1.50 0.48 -0.83 1.01 0.00 0.00 176.35 175.53 3kzf s GLY 12 N -1.02 2.10 0.00 -3.19 0.00 -1.26 -2.47 107.32 101.49 3kzf s GLY 12 Ca 0.71 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.67 3kzf s GLY 12 CO 0.46 -1.73 1.27 0.61 0.00 0.00 0.00 173.10 173.71 3kzf n GLY 13 N -1.76 1.83 0.08 0.20 0.00 -1.26 -0.67 105.19 103.61 3kzf n GLY 13 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3kzf n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kzf n ASN 14 N 1.39 2.76 -0.02 1.61 4.05 -1.26 -4.07 115.26 119.72 3kzf n ASN 14 Ca 0.00 -0.08 0.24 0.00 0.45 0.00 0.00 54.58 55.19 3kzf n ASN 14 Cb 0.36 -0.21 0.69 0.00 1.23 0.00 0.00 39.78 41.85 3kzf n ASN 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kzf h ALA 15 N 0.02 2.41 0.00 5.20 0.00 -1.25 -3.40 119.26 122.24 3kzf h ALA 15 Ca -0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kzf h ALA 15 Cb 1.55 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3kzf h ALA 15 CO -0.05 -0.95 -0.01 -1.33 0.00 0.00 0.00 179.25 176.91 3kzf n MET 16 N -3.71 0.00 -3.51 0.00 2.81 -1.26 -2.33 117.12 109.13 3kzf n MET 16 Ca 0.13 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.75 3kzf n MET 16 Cb 0.86 -0.01 -0.10 0.00 -0.71 0.00 0.00 33.22 33.26 3kzf n MET 16 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3kzf n LEU 17 N -3.11 0.68 -4.66 4.03 7.94 -1.26 -4.44 117.00 116.18 3kzf n LEU 17 Ca 0.00 -4.67 -0.42 0.00 -1.11 0.00 0.00 56.01 49.81 3kzf n LEU 17 Cb 0.00 0.16 -0.03 0.00 0.53 0.00 0.00 43.42 44.08 3kzf n LEU 17 CO 0.00 1.86 0.74 0.00 -1.11 0.00 0.00 177.39 178.88 3kzf s GLN 18 N -0.58 4.24 -0.02 1.96 -2.07 -1.26 -4.87 119.66 117.07 3kzf s GLN 18 Ca 0.31 1.12 -0.33 0.00 -1.82 0.00 0.00 55.36 54.64 3kzf s GLN 18 Cb 0.04 -3.62 -0.17 0.00 -1.09 0.00 0.00 33.01 28.17 3kzf s GLN 18 CO -0.18 -0.51 0.90 0.00 -1.32 0.00 0.00 175.29 174.19 3kzf n ALA 19 N 5.91 -3.03 -0.82 2.60 0.00 -1.26 -0.50 120.51 123.41 3kzf n ALA 19 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3kzf n ALA 19 Cb 0.47 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3kzf n ALA 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kzf n LYS 20 N 1.32 0.00 -4.55 0.00 4.76 -1.26 -5.06 118.16 113.38 3kzf n LYS 20 Ca 0.17 0.16 -0.33 0.00 -2.87 0.00 0.00 58.31 55.43 3kzf n LYS 20 Cb 0.06 -2.77 -0.15 0.00 -1.84 0.00 0.00 35.03 30.34 3kzf n LYS 20 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3kzf s GLU 21 N -0.74 3.31 0.01 1.97 2.02 0.35 -5.04 118.70 120.57 3kzf s GLU 21 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 3kzf s GLU 21 Cb 0.00 -2.68 -0.00 0.00 0.10 0.00 0.00 34.13 31.55 3kzf s GLU 21 CO 0.00 0.07 0.12 1.63 0.02 0.00 0.00 175.26 177.11 3kzf n LYS 22 N 3.92 -0.01 0.00 1.61 5.02 -1.26 -4.76 118.16 122.67 3kzf n LYS 22 Ca -0.19 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3kzf n LYS 22 Cb 0.52 -0.18 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 3kzf n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kzf n GLY 23 N -1.01 1.49 2.53 0.72 0.00 -1.26 -5.13 105.19 102.54 3kzf n GLY 23 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3kzf n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kzf n ASP 24 N 0.00 -2.78 -0.04 1.61 -0.08 -1.26 -4.88 116.55 109.11 3kzf n ASP 24 Ca 0.00 0.52 -0.13 0.00 -1.51 0.00 0.00 54.79 53.68 3kzf n ASP 24 Cb 0.00 -0.66 -0.08 0.00 2.34 0.00 0.00 41.12 42.72 3kzf n ASP 24 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3kzf h TYR 25 N 0.03 0.29 -0.78 -0.67 3.20 -2.00 -2.49 116.97 114.55 3kzf h TYR 25 Ca -0.32 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.56 3kzf h TYR 25 Cb 1.13 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 39.26 3kzf h TYR 25 CO 0.18 0.63 0.45 -0.44 -1.64 0.00 0.00 178.16 177.34 3kzf h ASP 26 N -0.13 0.65 -0.86 -2.11 3.32 -2.00 0.15 116.42 115.44 3kzf h ASP 26 Ca 0.02 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.19 3kzf h ASP 26 Cb 0.57 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.96 3kzf h ASP 26 CO 0.02 0.39 0.52 0.74 -1.72 0.00 0.00 179.24 179.19 3kzf h THR 27 N 0.78 0.97 0.13 0.35 2.02 -1.94 -2.66 112.91 112.56 3kzf h THR 27 Ca 0.37 -0.31 -0.29 0.00 0.77 0.00 0.00 66.41 66.95 3kzf h THR 27 Cb 0.29 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3kzf h THR 27 CO -0.22 0.16 -1.34 1.56 0.37 0.00 0.00 175.52 176.06 3kzf h GLN 28 N 0.90 0.27 -0.51 6.66 4.20 -0.45 -3.07 115.11 123.11 3kzf h GLN 28 Ca 0.40 -0.47 0.10 0.00 0.06 0.00 0.00 58.65 58.74 3kzf h GLN 28 Cb 0.28 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.14 3kzf h GLN 28 CO -0.21 1.19 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.97 3kzf h ARG 29 N 0.07 0.04 0.00 1.46 2.43 -0.76 -2.80 114.38 114.82 3kzf h ARG 29 Ca -0.17 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3kzf h ARG 29 Cb 1.99 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 3kzf h ARG 29 CO 0.19 0.03 0.00 1.63 -1.51 0.00 0.00 179.97 180.31 3kzf n LYS 30 N -5.31 0.00 -0.33 0.20 5.02 -1.01 -2.22 118.16 114.50 3kzf n LYS 30 Ca 0.05 0.60 0.12 0.00 -2.02 0.00 0.00 58.31 57.07 3kzf n LYS 30 Cb 0.28 -1.47 0.25 0.00 -0.02 0.00 0.00 35.03 34.06 3kzf n LYS 30 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kzf n ASN 31 N -2.18 -0.16 -0.16 4.39 5.03 -1.20 -1.38 115.26 119.60 3kzf n ASN 31 Ca 0.00 1.62 -0.02 0.00 0.87 0.00 0.00 54.58 57.05 3kzf n ASN 31 Cb 0.00 -0.57 0.07 0.00 -1.02 0.00 0.00 39.78 38.26 3kzf n ASN 31 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3kzf h VAL 32 N 0.00 0.74 -0.42 2.41 2.07 -1.03 -1.69 116.25 118.32 3kzf h VAL 32 Ca 0.55 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 68.03 3kzf h VAL 32 Cb 1.08 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3kzf h VAL 32 CO -0.92 0.05 0.28 -0.33 0.02 0.00 0.00 177.57 176.68 3kzf h GLU 33 N 0.27 0.34 0.09 1.57 5.08 -0.76 0.45 114.58 121.62 3kzf h GLU 33 Ca 0.26 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3kzf h GLU 33 Cb 0.33 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3kzf h GLU 33 CO -0.31 0.22 -0.07 0.82 -1.00 0.00 0.00 179.01 178.68 3kzf h ILE 34 N 0.35 0.85 0.36 3.13 5.03 -1.15 -1.71 117.51 124.38 3kzf h ILE 34 Ca 0.18 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.92 3kzf h ILE 34 Cb 0.28 0.85 -0.01 0.00 -3.03 0.00 0.00 36.82 34.91 3kzf h ILE 34 CO -0.04 0.00 -0.28 0.00 -0.68 0.00 0.00 178.15 177.15 3kzf h ALA 35 N 0.74 -0.64 -0.84 1.87 0.00 -0.00 -0.74 119.26 119.65 3kzf h ALA 35 Ca -0.00 -0.11 0.30 0.00 0.00 0.00 0.00 54.91 55.09 3kzf h ALA 35 Cb 0.14 0.37 -0.15 0.00 0.00 0.00 0.00 17.79 18.15 3kzf h ALA 35 CO -0.00 -0.88 0.26 0.00 0.00 0.00 0.00 179.25 178.63 3kzf n ALA 36 N -2.52 0.67 -0.07 0.00 0.00 0.13 -0.40 120.51 118.33 3kzf n ALA 36 Ca -0.10 0.88 -0.12 0.00 0.00 0.00 0.00 53.44 54.09 3kzf n ALA 36 Cb 0.31 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 3kzf n ALA 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kzf h SER 37 N 0.00 0.44 -0.21 0.00 0.87 -0.16 0.34 113.55 114.82 3kzf h SER 37 Ca 0.63 -0.41 -0.15 0.00 -1.23 0.00 0.00 61.79 60.62 3kzf h SER 37 Cb 1.52 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 3kzf h SER 37 CO -0.71 0.75 -0.41 -0.33 -0.53 0.00 0.00 176.83 175.60 3kzf h GLU 38 N 0.13 0.76 -0.34 2.24 4.39 -0.60 -3.03 114.58 118.12 3kzf h GLU 38 Ca 0.05 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.29 3kzf h GLU 38 Cb 0.59 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3kzf h GLU 38 CO 0.03 1.03 -0.01 0.82 -1.16 0.00 0.00 179.01 179.72 3kzf h ILE 39 N 0.62 1.20 -0.76 3.13 1.08 -0.53 -2.95 117.51 119.29 3kzf h ILE 39 Ca 0.05 -0.80 -0.05 0.00 -0.39 0.00 0.00 64.86 63.67 3kzf h ILE 39 Cb 0.96 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 3kzf h ILE 39 CO 0.09 0.27 0.30 0.22 -0.69 0.00 0.00 178.15 178.34 3kzf h TYR 40 N 0.51 1.17 -0.64 1.37 3.20 -0.81 -1.95 116.97 119.82 3kzf h TYR 40 Ca 0.11 -0.09 0.13 0.00 3.14 0.00 0.00 58.73 62.02 3kzf h TYR 40 Cb 0.34 -0.35 -0.10 0.00 1.54 0.00 0.00 36.73 38.16 3kzf h TYR 40 CO 0.01 0.89 0.06 0.87 -1.64 0.00 0.00 178.16 178.36 3kzf h LYS 41 N 1.11 0.17 -0.16 1.82 1.79 -1.46 0.30 116.57 120.13 3kzf h LYS 41 Ca 0.25 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.73 3kzf h LYS 41 Cb 0.23 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 3kzf h LYS 41 CO -0.02 0.11 0.03 0.82 -1.08 0.00 0.00 179.45 179.31 3kzf h ILE 42 N 0.17 0.92 -0.81 1.86 2.04 -1.40 0.45 117.51 120.75 3kzf h ILE 42 Ca 0.34 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 66.23 3kzf h ILE 42 Cb 0.55 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3kzf h ILE 42 CO -0.50 0.02 0.53 -0.74 0.00 0.00 0.00 178.15 177.46 3kzf h HIS 43 N 0.09 0.90 -0.10 1.37 2.76 -1.14 -2.07 115.15 116.98 3kzf h HIS 43 Ca 0.07 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3kzf h HIS 43 Cb 0.07 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.73 3kzf h HIS 43 CO -0.13 0.48 0.06 -0.22 -1.30 0.00 0.00 177.93 176.81 3kzf h LYS 44 N 0.90 0.13 -0.09 5.26 3.64 -0.19 -2.99 116.57 123.23 3kzf h LYS 44 Ca 0.35 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.74 3kzf h LYS 44 Cb 0.21 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3kzf h LYS 44 CO -0.12 0.16 0.20 0.00 -2.27 0.00 0.00 179.45 177.42 3kzf h ALA 45 N 0.97 1.48 0.00 5.00 0.00 0.55 -3.44 119.26 123.82 3kzf h ALA 45 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kzf h ALA 45 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kzf h ALA 45 CO -0.01 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.40 3kzf n GLY 46 N -1.27 1.18 3.90 0.00 0.00 -0.97 -5.08 105.19 102.95 3kzf n GLY 46 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kzf n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kzf s TYR 47 N -2.00 2.86 0.21 1.61 1.51 -1.17 -3.92 117.35 116.45 3kzf s TYR 47 Ca 0.00 0.70 -0.02 0.00 -1.01 0.00 0.00 57.07 56.74 3kzf s TYR 47 Cb 0.00 -3.52 -0.05 0.00 -0.11 0.00 0.00 41.96 38.28 3kzf s TYR 47 CO 0.00 -1.81 0.42 0.15 -1.11 0.00 0.00 175.55 173.20 3kzf s LYS 48 N -5.58 3.56 -0.05 -0.62 1.02 -0.72 -4.56 119.74 112.79 3kzf s LYS 48 Ca 0.63 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.42 3kzf s LYS 48 Cb -0.11 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3kzf s LYS 48 CO 0.49 0.37 -0.10 0.08 -0.92 0.00 0.00 175.35 175.28 3kzf s VAL 49 N -1.87 0.92 -0.26 3.17 1.01 -1.26 -1.73 120.40 120.38 3kzf s VAL 49 Ca 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3kzf s VAL 49 Cb -0.11 -0.86 0.08 0.00 0.00 0.00 0.00 36.38 35.48 3kzf s VAL 49 CO 0.28 0.30 0.01 -0.69 0.00 0.00 0.00 175.10 175.01 3kzf s VAL 50 N 0.65 1.31 -0.36 2.92 1.01 -1.13 -2.74 120.40 122.06 3kzf s VAL 50 Ca -0.12 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.35 3kzf s VAL 50 Cb -0.14 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3kzf s VAL 50 CO 0.02 -0.33 0.63 -0.76 0.00 0.00 0.00 175.10 174.67 3kzf s LEU 51 N 1.46 4.27 0.40 3.92 1.43 0.16 -1.64 118.68 128.68 3kzf s LEU 51 Ca 0.01 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 3kzf s LEU 51 Cb -0.18 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 3kzf s LEU 51 CO -0.11 -0.59 0.26 0.42 0.23 0.00 0.00 176.35 176.56 3kzf s THR 52 N 2.69 2.57 0.24 5.49 -4.23 -0.47 -0.51 115.64 121.43 3kzf s THR 52 Ca 0.24 -1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 3kzf s THR 52 Cb -0.15 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 3kzf s THR 52 CO 0.15 -0.03 0.45 -0.94 -0.54 0.00 0.00 174.62 173.71 3kzf s SER 53 N -3.99 -0.07 0.67 3.99 1.04 -1.26 -1.07 113.70 113.00 3kzf s SER 53 Ca 0.44 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3kzf s SER 53 Cb -0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3kzf s SER 53 CO 0.25 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3kzf n GLY 54 N -0.37 -0.66 0.00 7.32 0.00 -1.03 0.12 105.19 110.57 3kzf n GLY 54 Ca -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3kzf n GLY 54 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kzf n ASN 55 N -2.31 0.00 0.00 1.61 5.15 -1.26 -3.36 115.26 115.09 3kzf n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3kzf n ASN 55 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3kzf n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kzf n GLY 56 N 0.00 -2.34 0.42 8.20 0.00 -1.26 -1.10 105.19 109.11 3kzf n GLY 56 Ca 0.00 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 3kzf n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kzf h PRO 57 N 0.00 -0.44 -0.09 1.61 0.11 -1.93 -3.06 132.00 128.20 3kzf h PRO 57 Ca 0.00 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3kzf h PRO 57 Cb 0.00 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 3kzf h PRO 57 CO 0.00 -0.30 0.01 1.96 -0.21 0.00 0.00 178.00 179.46 3kzf h GLN 58 N -0.46 0.15 0.00 1.05 7.50 -1.43 -1.59 115.11 120.33 3kzf h GLN 58 Ca 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.19 3kzf h GLN 58 Cb 0.63 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.14 3kzf h GLN 58 CO -0.47 0.38 0.00 -0.24 -1.50 0.00 0.00 178.83 177.01 3kzf h VAL 59 N -0.10 0.00 -0.05 -0.54 3.04 -1.49 -2.68 116.25 114.43 3kzf h VAL 59 Ca 0.03 -0.45 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 3kzf h VAL 59 Cb 0.31 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3kzf h VAL 59 CO 0.00 0.00 -0.03 1.23 -1.01 0.00 0.00 177.57 177.76 3kzf h GLY 60 N 1.84 0.12 1.00 3.17 0.00 -1.21 -2.10 103.07 105.89 3kzf h GLY 60 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3kzf h GLY 60 CO 0.00 0.10 -0.48 0.00 0.00 0.00 0.00 176.54 176.16 3kzf h ALA 61 N 0.59 -1.36 -0.08 3.60 0.00 -1.25 0.10 119.26 120.85 3kzf h ALA 61 Ca 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kzf h ALA 61 Cb 0.49 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3kzf h ALA 61 CO 0.01 -1.27 -0.05 -0.89 0.00 0.00 0.00 179.25 177.06 3kzf n ILE 62 N -5.62 -0.05 -0.28 0.00 2.08 -1.02 0.46 119.36 114.92 3kzf n ILE 62 Ca -0.17 1.48 0.09 0.00 0.56 0.00 0.00 62.75 64.71 3kzf n ILE 62 Cb 0.53 -1.96 0.24 0.00 -0.75 0.00 0.00 39.64 37.70 3kzf n ILE 62 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3kzf h LYS 63 N 0.00 0.38 -1.00 0.38 1.63 -1.36 0.95 116.57 117.55 3kzf h LYS 63 Ca 0.01 -0.02 0.23 0.00 -0.85 0.00 0.00 60.65 60.02 3kzf h LYS 63 Cb 0.03 -0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 31.47 3kzf h LYS 63 CO -0.07 0.25 0.62 1.25 -3.45 0.00 0.00 179.45 178.05 3kzf h LEU 64 N 0.39 0.63 -0.02 5.20 6.46 0.26 -1.01 115.31 127.22 3kzf h LEU 64 Ca 0.48 0.10 -0.11 0.00 -0.12 0.00 0.00 57.88 58.22 3kzf h LEU 64 Cb 0.84 -0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.77 3kzf h LEU 64 CO -0.49 0.17 -0.44 1.56 -0.62 0.00 0.00 178.44 178.63 3kzf h GLN 65 N 0.58 0.33 -0.88 1.25 4.20 0.59 -3.29 115.11 117.90 3kzf h GLN 65 Ca 0.59 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.98 3kzf h GLN 65 Cb 1.17 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 3kzf h GLN 65 CO -0.36 1.01 0.59 -0.91 -0.67 0.00 0.00 178.83 178.48 3kzf h ASN 66 N -0.22 1.01 0.00 1.46 4.21 0.58 0.87 115.58 123.48 3kzf h ASN 66 Ca -0.05 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.44 3kzf h ASN 66 Cb 1.15 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.10 3kzf h ASN 66 CO 0.09 0.72 0.28 0.00 -1.29 0.00 0.00 177.43 177.23 3kzf n GLN 67 N -4.41 0.00 -2.18 0.81 6.02 -1.04 -1.56 117.38 115.03 3kzf n GLN 67 Ca 0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.88 3kzf n GLN 67 Cb 0.03 -1.24 0.02 0.00 1.02 0.00 0.00 30.24 30.07 3kzf n GLN 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kzf n ALA 68 N 2.40 4.69 0.23 -1.58 0.00 0.30 -4.97 120.51 121.58 3kzf n ALA 68 Ca 0.00 -3.70 0.07 0.00 0.00 0.00 0.00 53.44 49.81 3kzf n ALA 68 Cb 0.00 -0.42 0.16 0.00 0.00 0.00 0.00 19.45 19.19 3kzf n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kzf h ALA 69 N 2.29 2.11 0.00 0.00 0.00 -1.48 -2.75 119.26 119.43 3kzf h ALA 69 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kzf h ALA 69 Cb 1.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3kzf h ALA 69 CO 0.69 -1.06 -0.99 0.00 0.00 0.00 0.00 179.25 177.89 3kzf n ALA 70 N -1.68 2.10 -3.21 0.00 0.00 -1.26 -4.57 120.51 111.89 3kzf n ALA 70 Ca 0.04 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.19 3kzf n ALA 70 Cb 1.03 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 20.33 3kzf n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kzf n GLY 71 N 2.23 2.43 2.37 0.00 0.00 -1.04 -4.17 105.19 107.02 3kzf n GLY 71 Ca -0.00 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 3kzf n GLY 71 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kzf n VAL 72 N 1.85 0.79 -3.89 1.61 0.24 -1.26 -5.08 118.33 112.59 3kzf n VAL 72 Ca 0.23 -4.56 -0.11 0.00 -2.04 0.00 0.00 64.34 57.85 3kzf n VAL 72 Cb 0.52 -2.02 -0.13 0.00 -1.47 0.00 0.00 33.84 30.75 3kzf n VAL 72 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3kzf s SER 73 N -1.67 0.03 0.37 -1.34 0.15 -1.26 -5.13 113.70 104.85 3kzf s SER 73 Ca 0.36 -0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.68 3kzf s SER 73 Cb 0.13 0.08 -0.10 0.00 -1.71 0.00 0.00 66.02 64.43 3kzf s SER 73 CO -0.08 -0.10 0.99 -2.84 1.20 0.00 0.00 173.24 172.42 3kzf s PRO 74 N -0.41 4.37 -0.01 5.44 0.02 -1.26 -4.19 135.00 138.96 3kzf s PRO 74 Ca -0.05 1.40 -0.24 0.00 0.02 0.00 0.00 61.00 62.13 3kzf s PRO 74 Cb -0.03 -2.63 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 3kzf s PRO 74 CO -0.00 0.07 0.72 -2.00 -0.33 0.00 0.00 177.00 175.45 3kzf s GLU 75 N -2.35 4.44 0.18 5.54 2.12 -1.26 -5.01 118.70 122.37 3kzf s GLU 75 Ca 0.55 0.95 -0.06 0.00 0.36 0.00 0.00 54.97 56.76 3kzf s GLU 75 Cb -0.19 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.74 3kzf s GLU 75 CO 0.25 0.20 0.45 -1.64 -0.54 0.00 0.00 175.26 173.98 3kzf s MET 76 N 0.28 3.68 1.04 4.30 -1.94 -1.26 -5.08 119.30 120.32 3kzf s MET 76 Ca 0.37 0.03 -0.15 0.00 -1.71 0.00 0.00 55.69 54.23 3kzf s MET 76 Cb -0.19 -2.77 0.21 0.00 2.01 0.00 0.00 34.83 34.09 3kzf s MET 76 CO 0.20 0.40 1.15 -1.25 -0.01 0.00 0.00 175.02 175.51 3kzf s PRO 77 N -2.79 0.11 0.25 2.03 0.04 -1.26 -4.72 135.00 128.66 3kzf s PRO 77 Ca 0.43 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 3kzf s PRO 77 Cb -0.12 -1.74 0.30 0.00 0.04 0.00 0.00 34.50 32.99 3kzf s PRO 77 CO 0.24 -2.85 1.74 1.25 0.04 0.00 0.00 177.00 177.41 3kzf h LEU 78 N -1.97 0.78 -0.36 -3.56 5.85 -1.93 -0.03 115.31 114.09 3kzf h LEU 78 Ca -0.49 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.01 3kzf h LEU 78 Cb 1.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3kzf h LEU 78 CO 0.48 0.86 0.13 1.12 -0.34 0.00 0.00 178.44 180.70 3kzf h HIS 79 N 0.74 0.55 -0.47 1.25 2.07 -1.83 -0.72 115.15 116.74 3kzf h HIS 79 Ca 0.14 -0.04 0.10 0.00 -2.85 0.00 0.00 60.37 57.71 3kzf h HIS 79 Cb 0.49 -0.16 -0.10 0.00 2.57 0.00 0.00 27.41 30.21 3kzf h HIS 79 CO 0.03 0.51 -0.20 0.28 -3.07 0.00 0.00 177.93 175.48 3kzf h VAL 80 N 0.43 0.39 -0.75 6.12 2.07 -1.76 0.28 116.25 123.03 3kzf h VAL 80 Ca 0.12 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.81 3kzf h VAL 80 Cb 0.20 0.39 -0.13 0.00 -1.52 0.00 0.00 31.29 30.23 3kzf h VAL 80 CO -0.01 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.62 3kzf h GLY 82 N 0.13 0.48 -0.42 0.00 0.00 0.22 0.75 103.07 104.22 3kzf h GLY 82 Ca 0.41 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.90 3kzf h GLY 82 CO -0.64 -0.15 -0.47 0.00 0.00 0.00 0.00 176.54 175.28 3kzf h ALA 83 N 1.46 -0.48 0.40 3.60 0.00 0.35 -1.81 119.26 122.77 3kzf h ALA 83 Ca 0.25 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3kzf h ALA 83 Cb 0.38 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3kzf h ALA 83 CO -0.44 -0.90 -0.35 0.52 0.00 0.00 0.00 179.25 178.07 3kzf h MET 84 N -0.30 -0.74 0.00 0.00 2.86 -0.37 -3.07 114.93 113.31 3kzf h MET 84 Ca 0.14 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3kzf h MET 84 Cb 0.58 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3kzf h MET 84 CO -0.64 -0.49 0.00 -1.13 1.06 0.00 0.00 176.91 175.71 3kzf n SER 85 N -5.47 0.00 -0.37 1.22 3.41 0.19 -1.23 113.62 111.37 3kzf n SER 85 Ca -0.10 0.70 -0.02 0.00 -0.26 0.00 0.00 58.87 59.20 3kzf n SER 85 Cb 0.37 -0.34 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3kzf n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kzf n GLN 86 N -2.62 -0.24 -0.18 4.33 6.02 -0.73 -0.48 117.38 123.48 3kzf n GLN 86 Ca 0.00 1.49 -0.01 0.00 -0.01 0.00 0.00 57.00 58.47 3kzf n GLN 86 Cb 0.00 -2.21 0.07 0.00 1.02 0.00 0.00 30.24 29.12 3kzf n GLN 86 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3kzf h GLY 87 N 0.00 0.53 0.00 1.08 0.00 -1.07 -1.74 103.07 101.88 3kzf h GLY 87 Ca 0.33 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3kzf h GLY 87 CO -0.96 -0.17 0.00 0.33 0.00 0.00 0.00 176.54 175.74 3kzf n PHE 88 N -5.28 0.00 -0.04 5.60 7.35 0.37 -1.28 117.46 124.17 3kzf n PHE 88 Ca 0.07 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.75 3kzf n PHE 88 Cb 0.30 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.12 3kzf n PHE 88 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3kzf n ILE 89 N 0.00 -0.07 0.02 -2.13 5.41 -0.04 0.25 119.36 122.81 3kzf n ILE 89 Ca 0.00 0.24 0.05 0.00 1.00 0.00 0.00 62.75 64.04 3kzf n ILE 89 Cb 0.00 -0.30 0.45 0.00 -0.71 0.00 0.00 39.64 39.08 3kzf n ILE 89 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3kzf h GLY 90 N 0.00 0.52 0.12 7.39 0.00 -1.42 1.32 103.07 111.01 3kzf h GLY 90 Ca 0.02 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.21 3kzf h GLY 90 CO -0.09 0.19 -0.26 -1.82 0.00 0.00 0.00 176.54 174.55 3kzf h TYR 91 N 0.50 -0.70 -0.15 5.60 3.20 0.48 0.27 116.97 126.17 3kzf h TYR 91 Ca 0.14 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 3kzf h TYR 91 Cb -0.04 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3kzf h TYR 91 CO -0.00 -0.34 -0.28 0.52 -1.64 0.00 0.00 178.16 176.42 3kzf h MET 92 N -0.27 0.29 -0.10 1.82 0.00 0.21 -2.22 114.93 114.66 3kzf h MET 92 Ca 0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 59.70 59.61 3kzf h MET 92 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.07 3kzf h MET 92 CO -0.39 0.55 -0.38 0.52 0.00 0.00 0.00 176.91 177.21 3kzf h MET 93 N 0.26 0.44 0.00 1.72 2.86 -0.27 -2.92 114.93 117.01 3kzf h MET 93 Ca 0.04 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.37 3kzf h MET 93 Cb 0.64 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 3kzf h MET 93 CO 0.05 0.96 -0.16 0.77 1.06 0.00 0.00 176.91 179.59 3kzf h SER 94 N 0.00 -0.46 0.84 1.22 0.02 -0.26 -2.24 113.55 112.68 3kzf h SER 94 Ca -0.02 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3kzf h SER 94 Cb 1.01 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 3kzf h SER 94 CO 0.08 -0.22 -0.20 -0.61 -1.14 0.00 0.00 176.83 174.75 3kzf h GLN 95 N -0.26 0.00 0.01 3.45 4.15 -1.50 -1.79 115.11 119.17 3kzf h GLN 95 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 3kzf h GLN 95 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3kzf h GLN 95 CO -0.15 0.20 -0.11 0.00 -1.93 0.00 0.00 178.83 176.84 3kzf h ALA 96 N 1.80 -0.00 -0.78 3.38 0.00 -1.27 -2.59 119.26 119.80 3kzf h ALA 96 Ca -0.00 -0.47 0.13 0.00 0.00 0.00 0.00 54.91 54.56 3kzf h ALA 96 Cb 0.67 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 3kzf h ALA 96 CO 0.03 0.01 0.37 1.98 0.00 0.00 0.00 179.25 181.63 3kzf h MET 97 N -0.79 0.54 0.10 0.00 4.05 -1.33 -0.33 114.93 117.18 3kzf h MET 97 Ca -0.02 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3kzf h MET 97 Cb 0.98 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 3kzf h MET 97 CO 0.02 0.36 -0.05 -0.44 0.23 0.00 0.00 176.91 177.03 3kzf h ASP 98 N 0.56 -0.12 -0.13 1.39 3.45 -1.37 0.21 116.42 120.42 3kzf h ASP 98 Ca 0.41 -0.25 0.05 0.00 0.43 0.00 0.00 57.03 57.67 3kzf h ASP 98 Cb 0.56 0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 39.30 3kzf h ASP 98 CO -0.35 0.19 -0.27 0.78 -1.57 0.00 0.00 179.24 178.02 3kzf h ASN 99 N -0.44 -0.84 -0.90 6.45 4.21 -1.33 -1.52 115.58 121.21 3kzf h ASN 99 Ca -0.01 0.13 0.02 0.00 1.21 0.00 0.00 56.30 57.65 3kzf h ASN 99 Cb 0.36 0.36 -0.05 0.00 -1.12 0.00 0.00 38.32 37.88 3kzf h ASN 99 CO 0.02 -0.32 0.59 1.62 -1.29 0.00 0.00 177.43 178.05 3kzf h VAL 100 N -0.34 1.19 -0.40 2.81 3.04 -0.75 0.48 116.25 122.27 3kzf h VAL 100 Ca 0.10 -0.40 0.08 0.00 -1.01 0.00 0.00 66.70 65.47 3kzf h VAL 100 Cb 0.49 -0.09 -0.07 0.00 -2.01 0.00 0.00 31.29 29.61 3kzf h VAL 100 CO -0.32 0.21 -0.05 -0.26 -1.01 0.00 0.00 177.57 176.14 3kzf h PHE 101 N 1.17 -0.12 -0.37 3.17 -1.00 -0.26 -3.17 116.94 116.36 3kzf h PHE 101 Ca 0.34 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 61.10 3kzf h PHE 101 Cb -0.06 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3kzf h PHE 101 CO -0.01 -0.13 0.02 0.00 -1.61 0.00 0.00 178.31 176.57 3kzf n ALA 103 N -2.38 -0.00 -0.21 0.00 0.00 0.04 0.40 120.51 118.37 3kzf n ALA 103 Ca -0.01 0.72 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 3kzf n ALA 103 Cb 0.27 -0.36 0.10 0.00 0.00 0.00 0.00 19.45 19.46 3kzf n ALA 103 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kzf n ASN 104 N -5.06 3.41 -3.61 0.00 3.02 0.12 -4.90 115.26 108.25 3kzf n ASN 104 Ca 0.08 -2.86 -0.22 0.00 -0.03 0.00 0.00 54.58 51.55 3kzf n ASN 104 Cb 0.30 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 3kzf n ASN 104 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kzf n ASN 105 N -0.37 -3.90 -2.85 6.41 3.02 0.16 -4.86 115.26 112.88 3kzf n ASN 105 Ca 0.32 -0.83 -0.20 0.00 -0.03 0.00 0.00 54.58 53.83 3kzf n ASN 105 Cb 1.13 -1.31 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 3kzf n ASN 105 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3kzf n GLU 106 N -2.41 2.15 -0.83 3.52 2.13 -0.97 -4.98 120.64 119.24 3kzf n GLU 106 Ca -0.26 -4.00 -0.39 0.00 0.66 0.00 0.00 57.16 53.17 3kzf n GLU 106 Cb 0.57 -1.86 -0.08 0.00 0.27 0.00 0.00 31.44 30.34 3kzf n GLU 106 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kzf n PRO 107 N -0.10 0.00 -2.00 5.31 -0.02 -1.26 -4.62 135.00 132.30 3kzf n PRO 107 Ca 0.26 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 3kzf n PRO 107 Cb 0.62 -0.97 0.01 0.00 -0.02 0.00 0.00 33.50 33.14 3kzf n PRO 107 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kzf n ALA 108 N 4.66 -0.65 -2.88 3.55 0.00 -1.26 -5.12 120.51 118.81 3kzf n ALA 108 Ca 0.34 -0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 3kzf n ALA 108 Cb -0.03 0.16 -0.16 0.00 0.00 0.00 0.00 19.45 19.42 3kzf n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kzf s ASN 109 N -1.61 2.27 -0.28 0.00 2.20 -1.26 -5.02 114.94 111.24 3kzf s ASN 109 Ca 0.06 -0.37 -0.20 0.00 -0.94 0.00 0.00 52.86 51.40 3kzf s ASN 109 Cb -0.01 -0.63 0.10 0.00 -2.00 0.00 0.00 41.25 38.71 3kzf s ASN 109 CO 0.02 0.16 0.82 0.00 -2.94 0.00 0.00 177.10 175.16 3kzf s VAL 111 N 1.01 0.62 -0.12 0.00 -7.23 -0.81 -5.00 120.40 108.87 3kzf s VAL 111 Ca -0.05 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3kzf s VAL 111 Cb -0.05 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.58 3kzf s VAL 111 CO -0.11 -0.27 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.43 3kzf s THR 112 N -3.70 1.16 -0.28 5.32 2.01 -1.26 -0.28 115.64 118.61 3kzf s THR 112 Ca 0.30 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 3kzf s THR 112 Cb 0.07 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 3kzf s THR 112 CO 0.08 0.39 0.08 0.00 -0.69 0.00 0.00 174.62 174.48 3kzf n VAL 114 N 4.90 0.18 -4.68 0.00 3.14 -1.26 -4.21 118.33 116.40 3kzf n VAL 114 Ca -0.15 -0.03 -0.27 0.00 -2.96 0.00 0.00 64.34 60.93 3kzf n VAL 114 Cb 0.49 -1.41 -0.14 0.00 -1.06 0.00 0.00 33.84 31.73 3kzf n VAL 114 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3kzf s THR 115 N 1.92 1.79 -0.02 1.55 2.01 -1.26 -4.95 115.64 116.68 3kzf s THR 115 Ca 0.86 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 61.62 3kzf s THR 115 Cb -0.80 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3kzf s THR 115 CO 0.47 0.23 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.45 3kzf s GLN 116 N -1.24 2.58 -0.18 4.92 -0.21 -1.26 -1.84 119.66 122.43 3kzf s GLN 116 Ca 0.09 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.79 3kzf s GLN 116 Cb -0.09 -2.50 0.02 0.00 1.00 0.00 0.00 33.01 31.44 3kzf s GLN 116 CO 0.02 0.62 -0.19 0.99 -2.12 0.00 0.00 175.29 174.61 3kzf s THR 117 N -0.92 2.04 0.17 -0.19 2.01 -0.98 -1.22 115.64 116.54 3kzf s THR 117 Ca 0.15 -0.96 -0.31 0.00 0.31 0.00 0.00 61.69 60.89 3kzf s THR 117 Cb -0.11 -1.86 -0.09 0.00 0.01 0.00 0.00 72.50 70.45 3kzf s THR 117 CO 0.05 0.51 1.47 -0.76 -0.69 0.00 0.00 174.62 175.20 3kzf s LEU 118 N 1.29 4.38 0.00 4.42 1.43 0.22 -2.95 118.68 127.48 3kzf s LEU 118 Ca 0.04 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 3kzf s LEU 118 Cb -0.13 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 3kzf s LEU 118 CO -0.13 -0.73 0.01 1.33 0.23 0.00 0.00 176.35 177.06 3kzf n VAL 119 N 3.59 0.00 -4.13 -1.59 0.24 0.06 0.53 118.33 117.03 3kzf n VAL 119 Ca 0.11 -1.65 -0.35 0.00 -2.04 0.00 0.00 64.34 60.42 3kzf n VAL 119 Cb 0.40 0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 33.00 3kzf n VAL 119 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kzf s ASP 120 N -2.91 4.66 0.43 -1.34 2.15 -1.26 -4.62 116.67 113.77 3kzf s ASP 120 Ca 0.01 -0.24 0.30 0.00 0.43 0.00 0.00 52.55 53.05 3kzf s ASP 120 Cb 0.00 -1.79 1.35 0.00 -0.30 0.00 0.00 42.92 42.18 3kzf s ASP 120 CO 0.01 0.07 1.90 -0.65 -0.17 0.00 0.00 175.17 176.32 3kzf h PRO 121 N 7.47 0.00 0.06 4.34 0.11 -2.01 -0.52 132.00 141.45 3kzf h PRO 121 Ca -0.36 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.49 3kzf h PRO 121 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 3kzf h PRO 121 CO 0.61 0.00 -1.09 0.87 -0.21 0.00 0.00 178.00 178.18 3kzf h LYS 122 N 0.00 0.47 -2.40 1.05 1.79 -2.04 -3.46 116.57 111.98 3kzf h LYS 122 Ca 0.00 -0.59 -0.35 0.00 -2.18 0.00 0.00 60.65 57.54 3kzf h LYS 122 Cb 0.32 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 3kzf h LYS 122 CO 0.00 1.22 0.30 -3.47 -1.08 0.00 0.00 179.45 176.42 3kzf n ASP 123 N -3.73 0.47 0.28 0.86 -0.08 -0.21 -4.71 116.55 109.43 3kzf n ASP 123 Ca -0.09 0.46 0.18 0.00 -1.51 0.00 0.00 54.79 53.83 3kzf n ASP 123 Cb 0.91 -0.35 0.94 0.00 2.34 0.00 0.00 41.12 44.96 3kzf n ASP 123 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 3kzf h GLN 124 N 2.15 0.00 -0.01 -0.67 -0.00 -1.89 -2.69 115.11 112.00 3kzf h GLN 124 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 3kzf h GLN 124 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.03 3kzf h GLN 124 CO 0.40 0.00 0.32 0.00 -0.00 0.00 0.00 178.83 179.55 3kzf h ALA 125 N 1.70 1.34 0.00 0.06 0.00 -1.84 0.10 119.26 120.62 3kzf h ALA 125 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kzf h ALA 125 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kzf h ALA 125 CO -0.00 -0.32 0.00 0.74 0.00 0.00 0.00 179.25 179.66 3kzf h PHE 126 N 0.00 0.00 0.00 0.00 0.04 -1.80 -2.57 116.94 112.61 3kzf h PHE 126 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3kzf h PHE 126 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 3kzf h PHE 126 CO 0.00 0.00 -1.13 0.25 -0.60 0.00 0.00 178.31 176.83 3kzf n THR 127 N -2.97 0.00 -3.60 -1.55 -2.24 0.28 -4.83 114.28 99.37 3kzf n THR 127 Ca 0.02 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 3kzf n THR 127 Cb 0.39 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 3kzf n THR 127 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kzf n ASN 128 N -1.63 1.58 -4.53 3.42 4.05 -0.74 -5.10 115.26 112.30 3kzf n ASN 128 Ca 0.01 -2.89 -0.27 0.00 0.45 0.00 0.00 54.58 51.88 3kzf n ASN 128 Cb 0.33 -0.66 -0.11 0.00 1.23 0.00 0.00 39.78 40.57 3kzf n ASN 128 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3kzf n PRO 129 N 2.11 0.48 -0.00 1.20 -0.04 -1.20 -4.60 135.00 132.94 3kzf n PRO 129 Ca 0.25 -0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 3kzf n PRO 129 Cb 0.42 -2.66 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 3kzf n PRO 129 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kzf n THR 130 N 7.65 0.00 -3.49 0.52 -2.24 -1.03 -4.52 114.28 111.17 3kzf n THR 130 Ca 0.52 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.67 3kzf n THR 130 Cb 0.33 0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.90 3kzf n THR 130 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kzf s LYS 131 N -2.42 3.28 0.37 -0.78 2.47 -1.12 -4.89 119.74 116.65 3kzf s LYS 131 Ca -0.02 -0.79 -0.28 0.00 -1.56 0.00 0.00 55.97 53.33 3kzf s LYS 131 Cb 0.06 -3.88 -0.11 0.00 -1.46 0.00 0.00 37.83 32.43 3kzf s LYS 131 CO 0.35 -0.57 1.41 -0.35 0.16 0.00 0.00 175.35 176.35 3kzf n PRO 132 N 5.14 2.45 0.00 4.03 -0.04 -1.26 -2.29 135.00 143.04 3kzf n PRO 132 Ca -0.12 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 3kzf n PRO 132 Cb 0.49 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3kzf n PRO 132 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3kzf n VAL 133 N 0.34 0.00 -2.29 0.52 3.14 -0.57 -4.85 118.33 114.61 3kzf n VAL 133 Ca 0.03 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.98 3kzf n VAL 133 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 3kzf n VAL 133 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kzf n GLY 134 N 0.29 4.63 4.19 7.55 0.00 -1.18 -3.97 105.19 116.70 3kzf n GLY 134 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3kzf n GLY 134 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kzf n ARG 135 N 4.27 0.00 -3.83 1.61 0.63 -1.26 -3.56 116.66 114.53 3kzf n ARG 135 Ca 0.41 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.01 3kzf n ARG 135 Cb 0.37 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.16 3kzf n ARG 135 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3kzf s PHE 136 N 0.00 3.32 0.00 -0.14 0.08 -1.26 -4.64 117.98 115.35 3kzf s PHE 136 Ca 0.00 -2.97 0.00 0.00 0.12 0.00 0.00 56.93 54.08 3kzf s PHE 136 Cb 0.00 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 3kzf s PHE 136 CO 0.00 -0.78 0.00 2.48 -0.10 0.00 0.00 175.22 176.82 3kzf n TYR 137 N 3.18 -0.05 -3.65 0.36 -0.00 -1.26 -5.09 117.16 110.66 3kzf n TYR 137 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.97 3kzf n TYR 137 Cb 0.35 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.63 3kzf n TYR 137 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3kzf s THR 138 N -1.59 0.00 0.00 -3.48 -1.32 -1.26 -2.88 115.64 105.11 3kzf s THR 138 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3kzf s THR 138 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3kzf s THR 138 CO 0.00 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.79 3kzf n GLU 139 N 3.53 0.00 0.00 7.08 -0.58 -1.26 -4.97 120.64 124.44 3kzf n GLU 139 Ca -0.18 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3kzf n GLU 139 Cb 0.57 -0.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 3kzf n GLU 139 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3kzf n ILE 153 N -2.29 0.00 -4.57 -3.67 -6.64 -1.26 -4.76 119.36 96.17 3kzf n ILE 153 Ca 0.00 0.00 -0.26 0.00 -1.77 0.00 0.00 62.75 60.72 3kzf n ILE 153 Cb 0.00 0.00 -0.14 0.00 -1.44 0.00 0.00 39.64 38.06 3kzf n ILE 153 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 3kzf s LEU 154 N 0.00 2.21 0.86 7.28 2.96 -1.26 -5.10 118.68 125.63 3kzf s LEU 154 Ca 0.00 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 3kzf s LEU 154 Cb 0.00 -1.00 0.17 0.00 0.50 0.00 0.00 46.19 45.86 3kzf s LEU 154 CO 0.00 0.15 1.18 -0.13 -1.32 0.00 0.00 176.35 176.23 3kzf s ARG 155 N -1.42 1.08 -0.01 1.98 0.52 -1.26 -2.84 118.95 117.00 3kzf s ARG 155 Ca 0.08 -0.75 -0.28 0.00 -0.52 0.00 0.00 55.73 54.25 3kzf s ARG 155 Cb -0.09 -2.06 0.10 0.00 0.52 0.00 0.00 34.95 33.41 3kzf s ARG 155 CO 0.03 -2.00 0.86 -1.21 0.02 0.00 0.00 175.30 173.00 3kzf s GLU 156 N -5.56 0.85 0.00 3.54 0.41 0.31 -4.75 118.70 113.50 3kzf s GLU 156 Ca 0.71 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.04 3kzf s GLU 156 Cb -0.04 0.39 0.00 0.00 -1.78 0.00 0.00 34.13 32.70 3kzf s GLU 156 CO 0.49 -0.35 0.11 -3.47 -0.49 0.00 0.00 175.26 171.55 3kzf n ASP 157 N -0.06 0.00 -1.83 -0.19 -0.08 -1.26 0.40 116.55 113.53 3kzf n ASP 157 Ca -0.10 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 3kzf n ASP 157 Cb 0.61 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.07 3kzf n ASP 157 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kzf n ALA 158 N -2.50 -2.25 0.00 -1.67 0.00 -1.26 -2.41 120.51 110.42 3kzf n ALA 158 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kzf n ALA 158 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3kzf n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kzf n GLY 159 N 1.47 0.00 2.85 0.00 0.00 -1.26 -3.63 105.19 104.62 3kzf n GLY 159 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kzf n GLY 159 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kzf s ARG 160 N 0.00 1.19 0.15 1.61 3.52 -1.26 -5.06 118.95 119.10 3kzf s ARG 160 Ca 0.00 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 3kzf s ARG 160 Cb 0.00 -2.38 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 3kzf s ARG 160 CO 0.00 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.25 3kzf n GLY 161 N 4.82 -5.27 0.14 8.12 0.00 -1.24 -4.82 105.19 106.93 3kzf n GLY 161 Ca -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 3kzf n GLY 161 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kzf n TRP 162 N 1.69 0.06 -3.84 1.61 7.02 -1.14 -4.61 117.44 118.22 3kzf n TRP 162 Ca 0.00 0.04 -0.21 0.00 -1.02 0.00 0.00 57.50 56.30 3kzf n TRP 162 Cb 0.00 -0.09 -0.04 0.00 -2.42 0.00 0.00 31.31 28.76 3kzf n TRP 162 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3kzf s ARG 163 N 0.20 2.64 0.25 -0.99 0.52 0.16 -4.13 118.95 117.60 3kzf s ARG 163 Ca 0.05 -1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 53.59 3kzf s ARG 163 Cb -0.06 -2.41 -0.09 0.00 0.52 0.00 0.00 34.95 32.91 3kzf s ARG 163 CO 0.03 0.06 1.13 0.08 0.02 0.00 0.00 175.30 176.62 3kzf s VAL 164 N -2.35 3.54 -0.02 3.52 1.01 -1.23 0.11 120.40 124.98 3kzf s VAL 164 Ca 0.41 1.45 0.07 0.00 0.00 0.00 0.00 61.98 63.91 3kzf s VAL 164 Cb -0.05 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3kzf s VAL 164 CO 0.26 0.31 -0.22 0.68 0.00 0.00 0.00 175.10 176.13 3kzf s VAL 165 N -0.79 1.71 0.26 2.92 -7.23 -1.13 -1.52 120.40 114.62 3kzf s VAL 165 Ca 0.47 -0.92 0.11 0.00 -1.81 0.00 0.00 61.98 59.83 3kzf s VAL 165 Cb -0.32 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 3kzf s VAL 165 CO 0.40 0.48 -0.18 0.68 -0.31 0.00 0.00 175.10 176.17 3kzf s VAL 166 N -0.48 2.62 0.39 1.32 -7.23 -0.97 -4.77 120.40 111.27 3kzf s VAL 166 Ca 0.08 -2.23 -0.26 0.00 -1.81 0.00 0.00 61.98 57.76 3kzf s VAL 166 Cb -0.09 -2.35 -0.11 0.00 0.56 0.00 0.00 36.38 34.39 3kzf s VAL 166 CO -0.01 -0.32 1.10 -2.65 -0.31 0.00 0.00 175.10 172.91 3kzf n PRO 167 N -0.44 1.59 -3.55 4.82 -0.02 -1.26 -2.47 135.00 133.66 3kzf n PRO 167 Ca -0.07 0.56 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 3kzf n PRO 167 Cb 0.59 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 3kzf n PRO 167 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kzf n SER 168 N 0.60 1.36 -4.80 2.55 2.88 -1.26 -1.12 113.62 113.83 3kzf n SER 168 Ca 0.08 -2.84 -0.32 0.00 -1.33 0.00 0.00 58.87 54.46 3kzf n SER 168 Cb 0.38 -0.65 0.05 0.00 -0.75 0.00 0.00 64.21 63.23 3kzf n SER 168 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3kzf s PRO 169 N -0.96 2.90 0.15 -1.46 0.02 -1.26 -4.83 135.00 129.56 3kzf s PRO 169 Ca 0.31 1.09 -0.30 0.00 0.02 0.00 0.00 61.00 62.12 3kzf s PRO 169 Cb 0.04 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 3kzf s PRO 169 CO -0.15 -1.13 1.29 0.50 -0.33 0.00 0.00 177.00 177.17 3kzf s ARG 170 N -4.69 4.40 0.19 5.54 3.52 -1.26 -4.69 118.95 121.95 3kzf s ARG 170 Ca 0.61 1.98 -0.28 0.00 -0.13 0.00 0.00 55.73 57.91 3kzf s ARG 170 Cb -0.16 -3.24 -0.08 0.00 -1.56 0.00 0.00 34.95 29.91 3kzf s ARG 170 CO 0.49 -0.27 0.85 -1.25 -0.81 0.00 0.00 175.30 174.32 3kzf s PRO 171 N 0.36 4.70 -0.00 5.12 0.04 -1.26 -4.54 135.00 139.42 3kzf s PRO 171 Ca 0.58 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.95 3kzf s PRO 171 Cb -0.35 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 3kzf s PRO 171 CO 0.34 0.52 0.03 1.28 0.04 0.00 0.00 177.00 179.22 3kzf n LEU 172 N 1.65 0.00 -3.42 -3.56 4.77 0.19 -4.95 117.00 111.68 3kzf n LEU 172 Ca -0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 3kzf n LEU 172 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3kzf n LEU 172 CO 0.48 0.00 0.32 -0.70 -1.33 0.00 0.00 177.39 176.17 3kzf s GLU 173 N -2.11 0.49 -0.00 3.23 2.12 -1.22 -4.90 118.70 116.30 3kzf s GLU 173 Ca -0.01 1.10 -0.30 0.00 0.36 0.00 0.00 54.97 56.13 3kzf s GLU 173 Cb 0.01 0.65 -0.07 0.00 0.26 0.00 0.00 34.13 34.98 3kzf s GLU 173 CO 0.07 -0.30 1.68 0.42 -0.54 0.00 0.00 175.26 176.58 3kzf s ILE 174 N 2.81 3.36 0.13 -3.70 1.09 -1.26 -0.61 121.20 123.02 3kzf s ILE 174 Ca 0.03 0.58 -0.10 0.00 -1.10 0.00 0.00 60.65 60.06 3kzf s ILE 174 Cb -0.12 -3.37 -0.12 0.00 -1.06 0.00 0.00 42.46 37.79 3kzf s ILE 174 CO -0.19 -0.03 1.37 0.58 -0.10 0.00 0.00 174.94 176.57 3kzf h VAL 175 N 5.32 1.29 -0.00 2.92 2.07 -1.56 -3.23 116.25 123.06 3kzf h VAL 175 Ca -0.41 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.21 3kzf h VAL 175 Cb 1.19 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3kzf h VAL 175 CO 0.94 0.60 -0.22 -0.62 0.02 0.00 0.00 177.57 178.29 3kzf n GLU 176 N -3.95 0.63 -0.31 1.57 4.71 -1.26 -4.55 120.64 117.48 3kzf n GLU 176 Ca -0.06 -0.31 0.06 0.00 -0.01 0.00 0.00 57.16 56.85 3kzf n GLU 176 Cb 0.70 -1.49 0.14 0.00 -1.01 0.00 0.00 31.44 29.77 3kzf n GLU 176 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 3kzf n TYR 177 N -0.91 0.35 -0.33 -0.32 0.18 -1.22 0.14 117.16 115.04 3kzf n TYR 177 Ca 0.12 1.06 0.23 0.00 1.88 0.00 0.00 57.90 61.19 3kzf n TYR 177 Cb 0.32 -1.03 0.44 0.00 -0.38 0.00 0.00 39.34 38.69 3kzf n TYR 177 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 3kzf h GLY 178 N 0.00 1.77 1.13 -7.48 0.00 -1.86 0.29 103.07 96.92 3kzf h GLY 178 Ca 0.43 -0.03 -0.26 0.00 0.00 0.00 0.00 47.33 47.48 3kzf h GLY 178 CO -0.89 -0.63 -1.07 -2.08 0.00 0.00 0.00 176.54 171.87 3kzf h VAL 179 N 0.05 1.31 0.37 4.60 2.07 0.84 -3.00 116.25 122.49 3kzf h VAL 179 Ca 0.72 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3kzf h VAL 179 Cb 1.70 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 34.05 3kzf h VAL 179 CO -0.81 0.71 -0.33 0.40 0.02 0.00 0.00 177.57 177.56 3kzf h ILE 180 N 0.24 0.31 -0.29 4.57 1.08 -0.36 0.70 117.51 123.76 3kzf h ILE 180 Ca -0.15 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3kzf h ILE 180 Cb 1.75 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 3kzf h ILE 180 CO 0.21 0.00 -0.17 1.17 -0.69 0.00 0.00 178.15 178.67 3kzf n LYS 181 N -5.45 -0.13 -0.25 2.37 3.00 0.00 0.13 118.16 117.84 3kzf n LYS 181 Ca -0.10 1.03 -0.00 0.00 -0.00 0.00 0.00 58.31 59.24 3kzf n LYS 181 Cb 0.35 -1.53 0.07 0.00 0.00 0.00 0.00 35.03 33.91 3kzf n LYS 181 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3kzf h THR 182 N 0.00 0.22 -0.83 3.15 2.02 -1.23 0.64 112.91 116.88 3kzf h THR 182 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3kzf h THR 182 Cb 0.12 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 3kzf h THR 182 CO -0.27 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.06 3kzf h LEU 183 N -0.04 0.99 -0.19 2.58 3.38 0.32 -1.61 115.31 120.73 3kzf h LEU 183 Ca 0.33 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 3kzf h LEU 183 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3kzf h LEU 183 CO -0.76 0.75 -0.72 0.16 0.09 0.00 0.00 178.44 177.96 3kzf h ILE 184 N 1.14 1.30 -0.27 1.22 3.07 0.50 0.24 117.51 124.71 3kzf h ILE 184 Ca 0.30 -2.65 0.00 0.00 1.55 0.00 0.00 64.86 64.06 3kzf h ILE 184 Cb -0.07 2.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.99 3kzf h ILE 184 CO -0.06 0.70 0.17 0.44 -1.05 0.00 0.00 178.15 178.35 3kzf h ASP 185 N 0.00 0.31 -0.75 2.16 5.19 0.90 -1.45 116.42 122.79 3kzf h ASP 185 Ca -0.01 -0.01 -0.30 0.00 -0.62 0.00 0.00 57.03 56.09 3kzf h ASP 185 Cb 1.46 -0.08 -0.18 0.00 0.18 0.00 0.00 39.33 40.72 3kzf h ASP 185 CO 0.09 0.24 0.38 0.59 -3.12 0.00 0.00 179.24 177.42 3kzf n ASN 186 N -4.49 4.16 -4.29 6.45 3.02 -0.69 -4.90 115.26 114.52 3kzf n ASN 186 Ca 0.01 -3.20 -0.36 0.00 -0.03 0.00 0.00 54.58 50.99 3kzf n ASN 186 Cb 0.08 -0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 38.45 3kzf n ASN 186 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3kzf n ASN 187 N -0.44 -2.07 -4.77 6.41 2.85 -0.55 -4.98 115.26 111.73 3kzf n ASN 187 Ca 0.43 -1.11 -0.39 0.00 -0.11 0.00 0.00 54.58 53.40 3kzf n ASN 187 Cb 1.38 -2.34 -0.06 0.00 1.24 0.00 0.00 39.78 40.00 3kzf n ASN 187 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3kzf s VAL 188 N -3.48 4.52 -0.25 3.44 1.01 0.83 -4.99 120.40 121.48 3kzf s VAL 188 Ca 0.60 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 64.04 3kzf s VAL 188 Cb -0.34 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 3kzf s VAL 188 CO 0.96 0.47 0.48 -0.22 0.00 0.00 0.00 175.10 176.80 3kzf s LEU 189 N -0.78 4.08 -0.06 3.92 2.96 -1.22 -4.29 118.68 123.28 3kzf s LEU 189 Ca 0.36 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.82 3kzf s LEU 189 Cb -0.22 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.85 3kzf s LEU 189 CO 0.24 -0.23 -0.17 0.54 -1.32 0.00 0.00 176.35 175.41 3kzf s VAL 190 N 2.06 1.48 -0.13 1.68 0.11 -1.11 -1.92 120.40 122.58 3kzf s VAL 190 Ca 0.21 -0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 58.48 3kzf s VAL 190 Cb -0.16 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 3kzf s VAL 190 CO 0.09 0.43 0.10 -0.63 -3.33 0.00 0.00 175.10 171.76 3kzf s ILE 191 N 0.27 5.18 0.16 7.04 1.01 0.61 0.36 121.20 135.84 3kzf s ILE 191 Ca -0.10 0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 3kzf s ILE 191 Cb -0.14 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.14 3kzf s ILE 191 CO 0.04 0.58 1.02 0.00 0.00 0.00 0.00 174.94 176.57 3kzf n THR 193 N -0.59 -0.04 -1.60 0.00 -1.04 -1.26 -4.20 114.28 105.55 3kzf n THR 193 Ca -0.05 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.50 3kzf n THR 193 Cb 0.60 -0.16 -0.03 0.00 -1.82 0.00 0.00 70.33 68.92 3kzf n THR 193 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3kzf n ASN 194 N -1.66 1.53 -2.00 8.00 3.02 -1.26 -0.26 115.26 122.63 3kzf n ASN 194 Ca 0.01 1.16 -0.18 0.00 -0.03 0.00 0.00 54.58 55.54 3kzf n ASN 194 Cb 0.50 -1.28 -0.04 0.00 -0.61 0.00 0.00 39.78 38.35 3kzf n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kzf n GLY 195 N 1.71 0.53 3.21 7.41 0.00 0.32 -1.78 105.19 116.59 3kzf n GLY 195 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kzf n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzf n GLY 196 N -0.67 1.25 0.00 -0.02 0.00 0.64 -4.25 105.19 102.14 3kzf n GLY 196 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3kzf n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzf n GLY 197 N -2.00 2.34 3.57 -0.02 0.00 -0.73 -4.73 105.19 103.62 3kzf n GLY 197 Ca 0.00 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3kzf n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kzf s ILE 198 N -2.08 3.69 -0.09 -0.61 1.01 -0.77 -4.53 121.20 117.82 3kzf s ILE 198 Ca 0.00 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.92 3kzf s ILE 198 Cb 0.00 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 3kzf s ILE 198 CO 0.00 -1.11 1.92 -2.84 0.00 0.00 0.00 174.94 172.91 3kzf s PRO 199 N 5.78 3.81 0.38 2.79 0.02 -1.26 -2.33 135.00 144.20 3kzf s PRO 199 Ca 0.56 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.82 3kzf s PRO 199 Cb -0.12 -4.17 -0.01 0.00 0.02 0.00 0.00 34.50 30.22 3kzf s PRO 199 CO 0.24 -1.31 0.09 0.00 -0.33 0.00 0.00 177.00 175.69 3kzf s LYS 201 N -3.42 0.67 -0.03 0.00 -2.85 0.12 -0.76 119.74 113.47 3kzf s LYS 201 Ca 0.13 -0.01 0.03 0.00 -1.00 0.00 0.00 55.97 55.13 3kzf s LYS 201 Cb 0.01 0.30 -0.25 0.00 -2.06 0.00 0.00 37.83 35.83 3kzf s LYS 201 CO 0.09 -0.17 0.72 0.00 0.10 0.00 0.00 175.35 176.09 3kzf h ARG 202 N 4.10 0.13 -0.17 1.78 2.47 -1.83 -1.88 114.38 118.98 3kzf h ARG 202 Ca -0.29 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 3kzf h ARG 202 Cb 1.17 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3kzf h ARG 202 CO 0.37 0.88 0.00 -1.91 0.56 0.00 0.00 179.97 179.87 3kzf n GLU 203 N -3.29 0.00 -0.18 0.04 2.13 -1.26 -2.21 120.64 115.87 3kzf n GLU 203 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 3kzf n GLU 203 Cb 1.04 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.75 3kzf n GLU 203 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kzf n ASN 204 N 0.14 -0.17 -0.66 4.31 4.13 -1.26 -4.09 115.26 117.65 3kzf n ASN 204 Ca 0.00 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.22 3kzf n ASN 204 Cb 0.00 -0.04 -0.02 0.00 -1.54 0.00 0.00 39.78 38.18 3kzf n ASN 204 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3kzf n LYS 205 N -0.07 -1.56 -3.88 3.52 5.02 -1.23 -4.95 118.16 115.00 3kzf n LYS 205 Ca 0.00 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.36 3kzf n LYS 205 Cb 0.04 -4.11 -0.16 0.00 -0.02 0.00 0.00 35.03 30.78 3kzf n LYS 205 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kzf s VAL 206 N -1.10 1.16 0.30 -0.18 0.11 -0.94 -5.11 120.40 114.64 3kzf s VAL 206 Ca 0.00 -0.79 -0.29 0.00 -2.93 0.00 0.00 61.98 57.98 3kzf s VAL 206 Cb 0.00 -1.40 -0.09 0.00 -1.53 0.00 0.00 36.38 33.36 3kzf s VAL 206 CO 0.00 0.02 1.12 -0.63 -3.33 0.00 0.00 175.10 172.28 3kzf s ILE 207 N 1.59 3.42 -0.11 7.04 1.01 -1.24 -4.15 121.20 128.78 3kzf s ILE 207 Ca -0.01 1.39 -0.27 0.00 0.00 0.00 0.00 60.65 61.76 3kzf s ILE 207 Cb -0.16 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 38.50 3kzf s ILE 207 CO -0.07 0.30 0.63 -0.94 0.00 0.00 0.00 174.94 174.85 3kzf s SER 208 N -0.92 -0.61 0.29 3.58 1.04 -0.71 -4.93 113.70 111.44 3kzf s SER 208 Ca 0.47 0.83 -0.28 0.00 0.48 0.00 0.00 55.95 57.45 3kzf s SER 208 Cb -0.32 0.76 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 3kzf s SER 208 CO 0.41 -0.48 0.96 -0.83 0.98 0.00 0.00 173.24 174.28 3kzf s GLY 209 N -0.74 2.93 0.09 7.32 0.00 -1.26 0.13 107.32 115.78 3kzf s GLY 209 Ca -0.08 0.59 0.08 0.00 0.00 0.00 0.00 44.72 45.31 3kzf s GLY 209 CO 0.07 1.09 -0.16 -1.34 0.00 0.00 0.00 173.10 172.75 3kzf s VAL 210 N -1.43 2.96 -1.07 1.40 -7.23 0.19 -4.89 120.40 110.33 3kzf s VAL 210 Ca 0.47 -1.33 -0.21 0.00 -1.81 0.00 0.00 61.98 59.09 3kzf s VAL 210 Cb -0.22 -2.33 0.07 0.00 0.56 0.00 0.00 36.38 34.46 3kzf s VAL 210 CO 0.28 0.19 1.46 -1.81 -0.31 0.00 0.00 175.10 174.91 3kzf s ASP 211 N -1.91 6.61 0.24 4.85 -0.00 -1.26 -4.28 116.67 120.91 3kzf s ASP 211 Ca 0.18 -1.80 -0.01 0.00 -0.00 0.00 0.00 52.55 50.92 3kzf s ASP 211 Cb -0.11 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 3kzf s ASP 211 CO 0.09 -1.35 0.33 0.00 -0.00 0.00 0.00 175.17 174.25 3kzf n ALA 212 N 8.32 -0.18 -3.69 5.23 0.00 -1.26 -4.53 120.51 124.40 3kzf n ALA 212 Ca 0.35 -1.15 -0.15 0.00 0.00 0.00 0.00 53.44 52.49 3kzf n ALA 212 Cb 0.49 0.93 -0.16 0.00 0.00 0.00 0.00 19.45 20.71 3kzf n ALA 212 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kzf s VAL 213 N -2.72 -0.04 0.03 0.00 1.01 -0.28 -4.65 120.40 113.76 3kzf s VAL 213 Ca 0.21 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 3kzf s VAL 213 Cb -0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 36.38 36.23 3kzf s VAL 213 CO 0.15 0.09 0.39 -0.63 0.00 0.00 0.00 175.10 175.09 3kzf s ILE 214 N 0.99 5.09 -0.10 2.22 1.01 -1.26 -4.28 121.20 124.86 3kzf s ILE 214 Ca -0.08 0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.87 3kzf s ILE 214 Cb -0.12 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3kzf s ILE 214 CO -0.03 0.43 1.87 -0.62 0.00 0.00 0.00 174.94 176.60 3kzf s ASP 215 N -1.42 6.25 0.25 3.58 -1.08 -1.26 -4.32 116.67 118.67 3kzf s ASP 215 Ca 0.28 2.15 -0.10 0.00 -0.52 0.00 0.00 52.55 54.35 3kzf s ASP 215 Cb -0.15 -2.53 0.36 0.00 -1.46 0.00 0.00 42.92 39.15 3kzf s ASP 215 CO 0.15 -1.28 1.46 1.17 0.52 0.00 0.00 175.17 177.19 3kzf n LYS 216 N 7.76 -0.13 0.08 4.34 4.81 -1.26 -1.61 118.16 132.15 3kzf n LYS 216 Ca 0.21 1.46 -0.01 0.00 -0.87 0.00 0.00 58.31 59.11 3kzf n LYS 216 Cb 0.43 -2.18 0.28 0.00 0.02 0.00 0.00 35.03 33.59 3kzf n LYS 216 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3kzf h ASP 217 N 0.00 0.30 0.07 3.14 3.32 -1.90 -1.20 116.42 120.15 3kzf h ASP 217 Ca 0.41 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.22 3kzf h ASP 217 Cb 0.65 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 40.13 3kzf h ASP 217 CO -0.96 0.56 -0.62 -0.07 -1.72 0.00 0.00 179.24 176.44 3kzf h LEU 218 N 0.27 0.42 -0.61 1.55 3.38 -1.56 -2.88 115.31 115.88 3kzf h LEU 218 Ca 0.04 -0.88 0.02 0.00 0.09 0.00 0.00 57.88 57.15 3kzf h LEU 218 Cb 0.60 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3kzf h LEU 218 CO 0.04 1.26 0.39 0.00 0.09 0.00 0.00 178.44 180.22 3kzf h ALA 219 N 0.17 0.78 0.00 1.53 0.00 -1.24 0.26 119.26 120.76 3kzf h ALA 219 Ca -0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3kzf h ALA 219 Cb 1.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kzf h ALA 219 CO 0.12 0.16 -0.32 0.00 0.00 0.00 0.00 179.25 179.21 3kzf h THR 220 N 0.78 0.87 -0.14 0.00 1.03 -1.36 0.14 112.91 114.23 3kzf h THR 220 Ca 0.24 -1.28 -0.09 0.00 -0.01 0.00 0.00 66.41 65.27 3kzf h THR 220 Cb -0.04 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 3kzf h THR 220 CO -0.08 0.31 -0.26 -1.28 -0.01 0.00 0.00 175.52 174.20 3kzf h SER 221 N 0.00 0.48 -0.41 0.00 0.87 -0.89 -0.42 113.55 113.18 3kzf h SER 221 Ca -0.00 -0.55 0.08 0.00 -1.23 0.00 0.00 61.79 60.09 3kzf h SER 221 Cb 0.75 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.50 3kzf h SER 221 CO 0.04 0.94 -0.06 0.25 -0.53 0.00 0.00 176.83 177.47 3kzf h LEU 222 N 0.04 -0.29 -0.49 2.23 5.85 0.11 -2.36 115.31 120.39 3kzf h LEU 222 Ca 0.01 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3kzf h LEU 222 Cb 0.85 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3kzf h LEU 222 CO 0.06 -0.10 0.08 0.25 -0.34 0.00 0.00 178.44 178.38 3kzf h LEU 223 N 0.04 0.79 -0.07 2.25 5.85 -0.57 -0.69 115.31 122.91 3kzf h LEU 223 Ca 0.20 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3kzf h LEU 223 Cb 0.30 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3kzf h LEU 223 CO -0.39 0.85 -0.10 0.00 -0.34 0.00 0.00 178.44 178.47 3kzf h ALA 224 N 0.97 -0.05 -0.36 1.25 0.00 -0.57 0.13 119.26 120.62 3kzf h ALA 224 Ca 0.15 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kzf h ALA 224 Cb 0.40 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kzf h ALA 224 CO 0.01 -0.57 -0.15 1.57 0.00 0.00 0.00 179.25 180.11 3kzf h LYS 225 N -0.14 0.66 0.00 0.00 2.10 -1.38 -1.29 116.57 116.52 3kzf h LYS 225 Ca 0.06 -0.22 -0.02 0.00 -2.00 0.00 0.00 60.65 58.46 3kzf h LYS 225 Cb 0.23 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3kzf h LYS 225 CO -0.15 0.78 -0.12 1.15 -2.00 0.00 0.00 179.45 179.11 3kzf h THR 226 N 0.60 0.63 0.00 0.07 2.02 -0.52 -2.41 112.91 113.30 3kzf h THR 226 Ca 0.10 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3kzf h THR 226 Cb 0.60 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3kzf h THR 226 CO 0.04 0.11 -0.88 -0.07 0.37 0.00 0.00 175.52 175.09 3kzf h LEU 227 N 0.00 0.00 -1.04 2.58 4.07 -0.52 -3.49 115.31 116.91 3kzf h LEU 227 Ca -0.00 -0.03 -0.39 0.00 0.08 0.00 0.00 57.88 57.54 3kzf h LEU 227 Cb 0.30 0.00 0.13 0.00 1.08 0.00 0.00 40.66 42.17 3kzf h LEU 227 CO 0.02 0.01 -0.71 0.59 -1.08 0.00 0.00 178.44 177.27 3kzf n ASN 228 N -2.65 -5.30 -4.60 -0.43 4.13 -0.54 -5.01 115.26 100.88 3kzf n ASN 228 Ca 0.01 -0.58 -0.30 0.00 1.68 0.00 0.00 54.58 55.39 3kzf n ASN 228 Cb 0.54 -4.95 0.20 0.00 -1.54 0.00 0.00 39.78 34.03 3kzf n ASN 228 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3kzf s SER 229 N -3.55 2.09 0.11 6.41 0.15 -0.91 -4.93 113.70 113.08 3kzf s SER 229 Ca 0.46 1.84 0.24 0.00 0.70 0.00 0.00 55.95 59.19 3kzf s SER 229 Cb -0.21 -2.43 0.27 0.00 -1.71 0.00 0.00 66.02 61.95 3kzf s SER 229 CO 0.74 -3.56 1.25 0.44 1.20 0.00 0.00 173.24 173.31 3kzf h ASP 230 N -2.18 0.00 -3.57 5.45 3.32 -1.16 -3.46 116.42 114.81 3kzf h ASP 230 Ca -0.52 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.24 3kzf h ASP 230 Cb 1.30 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.62 3kzf h ASP 230 CO 0.46 0.11 -0.09 -0.31 -1.72 0.00 0.00 179.24 177.70 3kzf s TYR 231 N -3.18 -0.72 -0.15 4.55 1.51 -1.10 -4.22 117.35 114.03 3kzf s TYR 231 Ca 0.05 1.61 -0.02 0.00 -1.01 0.00 0.00 57.07 57.70 3kzf s TYR 231 Cb 0.13 0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 42.29 3kzf s TYR 231 CO 0.74 -0.36 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.56 3kzf s LEU 232 N 0.85 2.90 -0.08 -1.29 2.96 -1.12 0.40 118.68 123.30 3kzf s LEU 232 Ca -0.04 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3kzf s LEU 232 Cb -0.05 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3kzf s LEU 232 CO -0.07 0.13 -0.05 -0.32 -1.32 0.00 0.00 176.35 174.73 3kzf s MET 233 N 0.58 1.05 -0.17 1.98 -2.45 1.00 -1.04 119.30 120.24 3kzf s MET 233 Ca -0.06 -0.10 -0.03 0.00 -1.25 0.00 0.00 55.69 54.25 3kzf s MET 233 Cb -0.15 -1.17 -0.02 0.00 1.25 0.00 0.00 34.83 34.73 3kzf s MET 233 CO 0.03 -0.21 -0.05 0.42 1.05 0.00 0.00 175.02 176.26 3kzf s ILE 234 N 1.52 3.67 0.33 10.11 1.01 0.13 -0.40 121.20 137.57 3kzf s ILE 234 Ca -0.01 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3kzf s ILE 234 Cb -0.13 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3kzf s ILE 234 CO -0.04 0.48 0.49 -0.76 0.00 0.00 0.00 174.94 175.11 3kzf s LEU 235 N 0.64 4.01 0.00 2.97 1.43 -0.44 -3.19 118.68 124.11 3kzf s LEU 235 Ca -0.03 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3kzf s LEU 235 Cb -0.15 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.13 3kzf s LEU 235 CO 0.02 -0.37 0.00 0.35 0.23 0.00 0.00 176.35 176.59 3kzf n THR 236 N -1.69 0.00 -0.11 5.49 -2.24 -0.94 -4.11 114.28 110.68 3kzf n THR 236 Ca -0.03 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 3kzf n THR 236 Cb 0.57 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.69 3kzf n THR 236 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kzf n ASP 237 N -2.05 1.99 -4.61 3.42 5.75 -1.26 -1.12 116.55 118.67 3kzf n ASP 237 Ca 0.00 0.04 -0.42 0.00 -0.01 0.00 0.00 54.79 54.40 3kzf n ASP 237 Cb 0.00 -0.59 -0.05 0.00 -1.03 0.00 0.00 41.12 39.45 3kzf n ASP 237 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3kzf s VAL 238 N -2.52 4.75 0.38 2.12 -7.23 -1.26 -4.73 120.40 111.92 3kzf s VAL 238 Ca -0.34 1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 60.70 3kzf s VAL 238 Cb 0.10 -4.19 -0.09 0.00 0.56 0.00 0.00 36.38 32.76 3kzf s VAL 238 CO 0.60 -0.32 1.32 -0.22 -0.31 0.00 0.00 175.10 176.17 3kzf s LEU 239 N 3.06 4.28 0.00 1.32 0.20 -1.26 -4.26 118.68 122.02 3kzf s LEU 239 Ca 0.33 2.70 0.00 0.00 0.69 0.00 0.00 54.13 57.86 3kzf s LEU 239 Cb -0.14 -3.81 0.00 0.00 -0.43 0.00 0.00 46.19 41.82 3kzf s LEU 239 CO 0.14 -0.76 0.00 0.59 -0.29 0.00 0.00 176.35 176.03 3kzf n ASN 240 N 0.35 -8.33 -4.37 3.68 4.13 -1.26 -4.88 115.26 104.59 3kzf n ASN 240 Ca 0.02 1.44 -0.27 0.00 1.68 0.00 0.00 54.58 57.45 3kzf n ASN 240 Cb 0.43 -4.06 -0.08 0.00 -1.54 0.00 0.00 39.78 34.52 3kzf n ASN 240 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kzf s ALA 241 N -2.19 3.21 0.00 5.41 0.00 -1.26 -4.97 121.76 121.95 3kzf s ALA 241 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3kzf s ALA 241 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.62 3kzf s ALA 241 CO 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 175.76 175.53 3kzf n GLU 250 N 0.00 1.27 0.00 0.00 2.13 -1.26 -4.96 120.64 117.82 3kzf n GLU 250 Ca 0.00 -0.95 0.00 0.00 0.66 0.00 0.00 57.16 56.87 3kzf n GLU 250 Cb 0.00 0.38 0.00 0.00 0.27 0.00 0.00 31.44 32.09 3kzf n GLU 250 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3kzf n ARG 251 N -0.29 0.00 -2.47 5.31 0.63 -1.26 -5.15 116.66 113.43 3kzf n ARG 251 Ca -0.04 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.49 3kzf n ARG 251 Cb 0.17 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.04 3kzf n ARG 251 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3kzf s LYS 252 N 0.00 4.60 -0.53 -0.14 3.01 -1.26 -4.97 119.74 120.45 3kzf s LYS 252 Ca 0.00 1.80 -0.20 0.00 -1.01 0.00 0.00 55.97 56.56 3kzf s LYS 252 Cb 0.00 -3.22 0.06 0.00 -1.01 0.00 0.00 37.83 33.67 3kzf s LYS 252 CO 0.00 0.13 0.70 -0.51 0.51 0.00 0.00 175.35 176.18 3kzf s LEU 253 N -1.01 4.88 0.64 3.17 1.43 -0.76 -5.02 118.68 122.00 3kzf s LEU 253 Ca 0.47 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3kzf s LEU 253 Cb -0.32 -2.48 0.10 0.00 0.03 0.00 0.00 46.19 43.52 3kzf s LEU 253 CO 0.39 -1.00 0.88 -1.61 0.23 0.00 0.00 176.35 175.23 3kzf s GLU 254 N 2.90 2.05 0.00 1.70 0.41 -1.26 -3.81 118.70 120.69 3kzf s GLU 254 Ca 0.17 -1.24 0.00 0.00 -0.41 0.00 0.00 54.97 53.49 3kzf s GLU 254 Cb -0.19 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 3kzf s GLU 254 CO 0.12 -1.10 0.00 -1.91 -0.49 0.00 0.00 175.26 171.88 3kzf n GLU 255 N -2.53 0.00 -4.10 1.61 2.13 -1.22 -4.63 120.64 111.90 3kzf n GLU 255 Ca 0.14 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.89 3kzf n GLU 255 Cb 0.61 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.22 3kzf n GLU 255 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 3kzf s ILE 256 N 0.00 0.26 0.73 6.31 -4.36 -1.22 -4.93 121.20 117.99 3kzf s ILE 256 Ca 0.00 -1.82 -0.11 0.00 -0.26 0.00 0.00 60.65 58.46 3kzf s ILE 256 Cb 0.00 -1.53 0.03 0.00 1.25 0.00 0.00 42.46 42.20 3kzf s ILE 256 CO 0.00 -0.99 1.08 -0.54 0.24 0.00 0.00 174.94 174.73 3kzf s LYS 257 N -3.91 2.68 0.00 0.37 1.02 -1.26 0.12 119.74 118.76 3kzf s LYS 257 Ca 0.07 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.82 3kzf s LYS 257 Cb 0.08 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 3kzf s LYS 257 CO -0.10 -1.23 0.59 -0.11 -0.92 0.00 0.00 175.35 173.58 3kzf n LEU 258 N -3.19 0.00 0.32 3.17 7.94 0.19 -3.26 117.00 122.18 3kzf n LEU 258 Ca 0.07 0.59 0.18 0.00 -1.11 0.00 0.00 56.01 55.74 3kzf n LEU 258 Cb 0.55 -0.09 0.96 0.00 0.53 0.00 0.00 43.42 45.37 3kzf n LEU 258 CO 0.56 -0.09 1.12 -1.28 -1.11 0.00 0.00 177.39 176.60 3kzf h SER 259 N 0.00 0.00 0.08 1.96 0.87 -1.92 -0.09 113.55 114.46 3kzf h SER 259 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3kzf h SER 259 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3kzf h SER 259 CO 0.00 0.00 -0.04 -0.08 -0.53 0.00 0.00 176.83 176.18 3kzf h GLU 260 N 0.00 -0.10 -0.25 2.24 4.81 -1.95 -2.15 114.58 117.17 3kzf h GLU 260 Ca 0.00 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 3kzf h GLU 260 Cb 0.36 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3kzf h GLU 260 CO 0.00 0.03 -0.56 0.82 -0.73 0.00 0.00 179.01 178.57 3kzf h ILE 261 N -0.21 1.28 -0.45 2.32 5.03 -1.07 -0.11 117.51 124.29 3kzf h ILE 261 Ca -0.01 -1.75 0.05 0.00 -0.12 0.00 0.00 64.86 63.03 3kzf h ILE 261 Cb 0.18 1.72 -0.08 0.00 -3.03 0.00 0.00 36.82 35.61 3kzf h ILE 261 CO 0.02 0.56 -0.56 0.25 -0.68 0.00 0.00 178.15 177.74 3kzf h LEU 262 N 0.59 -1.89 -1.09 1.44 6.46 -1.58 1.32 115.31 120.55 3kzf h LEU 262 Ca 0.00 0.25 -0.09 0.00 -0.12 0.00 0.00 57.88 57.92 3kzf h LEU 262 Cb 1.17 0.78 -0.01 0.00 -0.73 0.00 0.00 40.66 41.87 3kzf h LEU 262 CO 0.12 -0.39 -0.42 0.00 -0.62 0.00 0.00 178.44 177.13 3kzf h ALA 263 N -0.00 1.24 0.00 1.25 0.00 -1.36 -2.14 119.26 118.24 3kzf h ALA 263 Ca 0.08 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3kzf h ALA 263 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kzf h ALA 263 CO -0.62 0.55 -0.58 1.25 0.00 0.00 0.00 179.25 179.84 3kzf h LEU 264 N 0.06 0.00 -1.72 0.00 5.85 -0.11 -2.68 115.31 116.72 3kzf h LEU 264 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3kzf h LEU 264 Cb 0.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3kzf h LEU 264 CO 0.06 0.58 0.09 -0.08 -0.34 0.00 0.00 178.44 178.75 3kzf h GLU 265 N 0.00 0.28 -0.03 1.25 4.81 0.23 -3.00 114.58 118.12 3kzf h GLU 265 Ca -0.01 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 3kzf h GLU 265 Cb 1.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3kzf h GLU 265 CO 0.08 0.22 -0.69 0.87 -0.73 0.00 0.00 179.01 178.76 3kzf h LYS 266 N 0.28 0.15 0.00 1.92 1.57 -1.17 -3.04 116.57 116.28 3kzf h LYS 266 Ca 0.07 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kzf h LYS 266 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kzf h LYS 266 CO -0.01 0.78 0.00 -0.25 -0.57 0.00 0.00 179.45 179.40 3kzf n ASP 267 N -3.78 0.00 0.00 0.86 8.00 -1.13 -4.80 116.55 115.70 3kzf n ASP 267 Ca -0.02 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3kzf n ASP 267 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3kzf n ASP 267 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kzf n GLY 268 N -0.28 1.69 0.66 0.44 0.00 -1.15 -5.01 105.19 101.55 3kzf n GLY 268 Ca 0.04 0.00 0.50 0.00 0.00 0.00 0.00 46.02 46.56 3kzf n GLY 268 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3kzf h HIS 269 N 0.00 0.10 -3.42 1.61 3.86 -1.70 -3.50 115.15 112.09 3kzf h HIS 269 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 3kzf h HIS 269 Cb 0.00 -0.02 -0.15 0.00 1.06 0.00 0.00 27.41 28.30 3kzf h HIS 269 CO 0.00 -0.05 -0.73 -0.06 0.86 0.00 0.00 177.93 177.95 3kzf s PHE 270 N -4.94 2.73 -3.33 2.45 0.08 -1.26 -4.97 117.98 108.74 3kzf s PHE 270 Ca -0.05 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.83 3kzf s PHE 270 Cb 0.28 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.32 3kzf s PHE 270 CO 0.88 0.45 0.00 0.41 -0.10 0.00 0.00 175.22 176.86 3kzf n GLY 273 N 0.53 -1.66 4.06 4.36 0.00 -1.26 -4.78 105.19 106.44 3kzf n GLY 273 Ca -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3kzf n GLY 273 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kzf n SER 274 N 2.00 0.00 -3.12 1.61 7.64 -1.26 -4.88 113.62 115.61 3kzf n SER 274 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 3kzf n SER 274 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kzf n SER 274 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 3kzf n MET 275 N 8.11 0.00 0.00 1.43 -0.00 -1.26 -3.80 117.12 121.60 3kzf n MET 275 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 57.70 57.28 3kzf n MET 275 Cb 0.00 -1.83 0.00 0.00 -0.00 0.00 0.00 33.22 31.39 3kzf n MET 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kzf n GLY 276 N 3.76 0.00 0.00 3.17 0.00 -1.26 -3.96 105.19 106.90 3kzf n GLY 276 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3kzf n GLY 276 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kzf n PRO 277 N -1.78 0.50 0.11 1.61 -0.04 -1.25 -3.46 135.00 130.70 3kzf n PRO 277 Ca 0.00 -0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 3kzf n PRO 277 Cb 0.28 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 3kzf n PRO 277 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3kzf h LYS 278 N 0.00 -0.36 -0.82 0.54 1.57 -1.80 -2.81 116.57 112.89 3kzf h LYS 278 Ca 0.00 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3kzf h LYS 278 Cb 0.50 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 3kzf h LYS 278 CO 0.00 -0.20 0.53 0.28 -0.57 0.00 0.00 179.45 179.50 3kzf h VAL 279 N -1.08 0.91 -0.24 0.50 2.07 -1.70 0.40 116.25 117.10 3kzf h VAL 279 Ca -0.04 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3kzf h VAL 279 Cb 0.33 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3kzf h VAL 279 CO 0.06 0.13 0.12 -0.09 0.02 0.00 0.00 177.57 177.81 3kzf h ARG 280 N 0.70 0.34 -0.34 1.57 9.65 -1.65 0.35 114.38 124.99 3kzf h ARG 280 Ca 0.39 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 59.11 3kzf h ARG 280 Cb 0.54 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3kzf h ARG 280 CO -0.16 0.33 -0.22 0.00 2.80 0.00 0.00 179.97 182.72 3kzf h ALA 281 N 0.99 0.48 -0.42 2.80 0.00 -0.93 0.17 119.26 122.36 3kzf h ALA 281 Ca 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3kzf h ALA 281 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kzf h ALA 281 CO -0.01 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.75 3kzf h ALA 282 N 0.76 0.56 -0.69 0.00 0.00 -0.76 -1.93 119.26 117.20 3kzf h ALA 282 Ca 0.07 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3kzf h ALA 282 Cb 0.77 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3kzf h ALA 282 CO 0.06 0.29 0.29 0.82 0.00 0.00 0.00 179.25 180.71 3kzf h ILE 283 N 0.56 0.75 -0.17 0.00 2.04 -0.19 -1.99 117.51 118.51 3kzf h ILE 283 Ca 0.13 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 3kzf h ILE 283 Cb 0.39 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3kzf h ILE 283 CO 0.01 0.09 -0.24 -0.33 0.00 0.00 0.00 178.15 177.68 3kzf h GLU 284 N 0.48 0.31 0.03 2.37 5.08 -0.10 -1.34 114.58 121.40 3kzf h GLU 284 Ca 0.36 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3kzf h GLU 284 Cb 0.46 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3kzf h GLU 284 CO -0.33 0.53 -0.30 0.35 -1.00 0.00 0.00 179.01 178.27 3kzf h PHE 285 N 0.28 0.25 -0.12 4.33 3.57 -1.24 -1.69 116.94 122.32 3kzf h PHE 285 Ca 0.05 -0.15 -0.15 0.00 3.53 0.00 0.00 57.97 61.24 3kzf h PHE 285 Cb 0.57 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3kzf h PHE 285 CO 0.01 1.02 -0.58 1.15 -2.23 0.00 0.00 178.31 177.69 3kzf h THR 286 N -0.59 1.35 -0.06 4.41 2.02 -1.40 -0.04 112.91 118.61 3kzf h THR 286 Ca -0.04 -1.89 -0.10 0.00 0.77 0.00 0.00 66.41 65.15 3kzf h THR 286 Cb 1.13 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 3kzf h THR 286 CO 0.06 0.57 -0.43 -0.61 0.37 0.00 0.00 175.52 175.48 3kzf h GLN 287 N 0.28 0.13 0.00 6.66 4.15 -1.34 -1.17 115.11 123.82 3kzf h GLN 287 Ca -0.00 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 59.16 3kzf h GLN 287 Cb 1.10 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 3kzf h GLN 287 CO 0.10 0.54 -1.31 0.00 -1.93 0.00 0.00 178.83 176.23 3kzf h ALA 288 N 1.46 0.65 0.00 3.38 0.00 -0.66 -3.40 119.26 120.68 3kzf h ALA 288 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3kzf h ALA 288 Cb 0.81 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kzf h ALA 288 CO 0.06 1.11 0.00 0.25 0.00 0.00 0.00 179.25 180.67 3kzf n THR 289 N -3.04 0.00 0.00 0.00 -2.24 -0.09 -5.01 114.28 103.90 3kzf n THR 289 Ca -0.09 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3kzf n THR 289 Cb 0.90 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 3kzf n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kzf n GLY 290 N 0.37 1.70 3.81 3.38 0.00 -0.44 -4.97 105.19 109.04 3kzf n GLY 290 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3kzf n GLY 290 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kzf s LYS 291 N 0.00 1.99 0.31 1.61 -0.14 -1.26 -4.26 119.74 117.99 3kzf s LYS 291 Ca 0.00 0.57 -0.07 0.00 -1.36 0.00 0.00 55.97 55.11 3kzf s LYS 291 Cb 0.00 -1.91 -0.06 0.00 -1.68 0.00 0.00 37.83 34.18 3kzf s LYS 291 CO 0.00 -1.67 0.60 0.00 -0.76 0.00 0.00 175.35 173.53 3kzf s MET 292 N -5.19 3.69 -0.00 1.68 0.23 -1.26 -4.14 119.30 114.31 3kzf s MET 292 Ca 0.61 0.15 0.05 0.00 -1.03 0.00 0.00 55.69 55.47 3kzf s MET 292 Cb -0.14 -2.58 -0.01 0.00 -1.53 0.00 0.00 34.83 30.56 3kzf s MET 292 CO 0.54 0.17 -0.16 -1.54 -2.03 0.00 0.00 175.02 171.99 3kzf s SER 293 N -3.05 1.90 -0.04 -1.18 1.04 -1.21 -2.79 113.70 108.37 3kzf s SER 293 Ca 0.46 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.60 3kzf s SER 293 Cb -0.11 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 3kzf s SER 293 CO 0.29 0.17 -0.16 -0.63 0.98 0.00 0.00 173.24 173.89 3kzf s ILE 294 N -0.47 1.36 -0.14 -1.02 1.01 -0.21 -1.96 121.20 119.77 3kzf s ILE 294 Ca 0.06 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3kzf s ILE 294 Cb -0.07 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.24 3kzf s ILE 294 CO -0.00 0.39 -0.22 -0.63 0.00 0.00 0.00 174.94 174.48 3kzf s ILE 295 N 0.05 2.06 0.02 2.92 1.09 -0.70 0.23 121.20 126.87 3kzf s ILE 295 Ca -0.04 -0.98 -0.16 0.00 -1.10 0.00 0.00 60.65 58.37 3kzf s ILE 295 Cb -0.11 -1.82 0.03 0.00 -1.06 0.00 0.00 42.46 39.50 3kzf s ILE 295 CO 0.02 0.55 0.35 -0.89 -0.10 0.00 0.00 174.94 174.87 3kzf s THR 296 N 0.81 0.06 0.84 2.92 2.01 -1.19 -1.67 115.64 119.42 3kzf s THR 296 Ca -0.07 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 3kzf s THR 296 Cb -0.16 -0.86 0.10 0.00 0.01 0.00 0.00 72.50 71.60 3kzf s THR 296 CO -0.02 -0.29 1.18 -0.94 -0.69 0.00 0.00 174.62 173.86 3kzf s SER 297 N -1.81 3.39 0.15 3.53 1.04 -1.26 -2.22 113.70 116.53 3kzf s SER 297 Ca -0.08 2.29 -0.28 0.00 0.48 0.00 0.00 55.95 58.36 3kzf s SER 297 Cb -0.02 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 3kzf s SER 297 CO -0.00 -2.80 1.57 0.25 0.98 0.00 0.00 173.24 173.24 3kzf h LEU 298 N -1.23 -1.45 -0.44 2.42 5.85 -1.42 -2.65 115.31 116.40 3kzf h LEU 298 Ca -0.45 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3kzf h LEU 298 Cb 1.28 0.62 -0.07 0.00 0.37 0.00 0.00 40.66 42.86 3kzf h LEU 298 CO 0.45 -0.39 -0.48 0.77 -0.34 0.00 0.00 178.44 178.45 3kzf h SER 299 N -0.37 -1.62 0.00 1.25 4.64 -1.92 -2.69 113.55 112.84 3kzf h SER 299 Ca 0.12 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3kzf h SER 299 Cb 0.60 0.67 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kzf h SER 299 CO -0.54 -0.31 0.00 0.35 -0.87 0.00 0.00 176.83 175.46 3kzf n THR 300 N -4.94 0.00 0.35 2.95 -2.24 -1.00 -4.18 114.28 105.22 3kzf n THR 300 Ca -0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 3kzf n THR 300 Cb 0.27 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.14 3kzf n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kzf h ALA 301 N 1.74 -0.89 -0.75 6.98 0.00 -1.45 -1.38 119.26 123.50 3kzf h ALA 301 Ca 0.00 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.85 3kzf h ALA 301 Cb 0.03 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3kzf h ALA 301 CO 0.00 -0.90 0.50 -0.39 0.00 0.00 0.00 179.25 178.47 3kzf h VAL 302 N -1.10 0.79 -0.34 0.00 -1.51 -1.84 0.73 116.25 112.97 3kzf h VAL 302 Ca -0.09 -0.14 -0.12 0.00 -1.23 0.00 0.00 66.70 65.12 3kzf h VAL 302 Cb 0.72 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 3kzf h VAL 302 CO 0.15 0.07 -0.26 0.44 -1.23 0.00 0.00 177.57 176.74 3kzf h ASP 303 N 0.41 0.83 -0.11 4.19 3.32 -1.84 -2.80 116.42 120.42 3kzf h ASP 303 Ca 0.37 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3kzf h ASP 303 Cb 0.85 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3kzf h ASP 303 CO -0.12 1.10 0.04 0.00 -1.72 0.00 0.00 179.24 178.54 3kzf h ALA 304 N 0.76 1.78 -0.01 3.45 0.00 0.28 -1.06 119.26 124.45 3kzf h ALA 304 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kzf h ALA 304 Cb 0.83 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kzf h ALA 304 CO 0.07 0.18 -0.06 -0.11 0.00 0.00 0.00 179.25 179.33 3kzf n LEU 305 N -4.44 0.62 -0.00 0.00 7.94 -0.65 -2.96 117.00 117.51 3kzf n LEU 305 Ca -0.01 -0.13 0.08 0.00 -1.11 0.00 0.00 56.01 54.85 3kzf n LEU 305 Cb 0.13 -0.09 -0.11 0.00 0.53 0.00 0.00 43.42 43.88 3kzf n LEU 305 CO 0.35 0.11 -0.39 0.59 -1.11 0.00 0.00 177.39 176.94 3kzf n ASN 306 N -0.68 0.94 -1.36 1.96 5.03 -0.46 -5.03 115.26 115.66 3kzf n ASN 306 Ca 0.18 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.21 3kzf n ASN 306 Cb 0.26 1.41 0.00 0.00 -1.02 0.00 0.00 39.78 40.43 3kzf n ASN 306 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kzf n GLY 307 N 1.46 0.53 0.06 7.41 0.00 -0.87 -5.02 105.19 108.77 3kzf n GLY 307 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3kzf n GLY 307 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kzf n LYS 308 N -1.21 0.00 -3.79 1.61 4.01 -1.05 -5.04 118.16 112.69 3kzf n LYS 308 Ca 0.00 -0.54 0.00 0.00 -0.51 0.00 0.00 58.31 57.26 3kzf n LYS 308 Cb 0.45 -0.48 0.00 0.00 -0.51 0.00 0.00 35.03 34.50 3kzf n LYS 308 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kzf n GLY 310 N -0.72 -2.65 3.55 0.00 0.00 -1.26 -4.51 105.19 99.60 3kzf n GLY 310 Ca 0.00 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3kzf n GLY 310 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kzf s THR 311 N -3.14 4.30 -0.65 2.61 2.01 -0.67 -3.45 115.64 116.65 3kzf s THR 311 Ca 0.00 0.60 0.05 0.00 0.31 0.00 0.00 61.69 62.65 3kzf s THR 311 Cb 0.00 -4.57 0.16 0.00 0.01 0.00 0.00 72.50 68.10 3kzf s THR 311 CO 0.00 -1.10 0.44 -0.13 -0.69 0.00 0.00 174.62 173.13 3kzf s ARG 312 N 4.19 2.30 0.20 4.92 0.52 -1.26 -1.72 118.95 128.12 3kzf s ARG 312 Ca 0.36 -3.15 -0.30 0.00 -0.52 0.00 0.00 55.73 52.13 3kzf s ARG 312 Cb -0.10 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 31.95 3kzf s ARG 312 CO 0.23 -1.25 1.16 0.96 0.02 0.00 0.00 175.30 176.42 3kzf s ILE 313 N -1.15 3.60 0.36 1.52 -4.36 -0.83 -3.42 121.20 116.93 3kzf s ILE 313 Ca 0.23 1.40 0.05 0.00 -0.26 0.00 0.00 60.65 62.08 3kzf s ILE 313 Cb -0.09 -3.89 -0.07 0.00 1.25 0.00 0.00 42.46 39.65 3kzf s ILE 313 CO -0.13 0.25 0.03 0.27 0.24 0.00 0.00 174.94 175.60 3kzf s ILE 314 N -0.31 1.57 0.04 8.37 -4.36 0.33 -3.29 121.20 123.55 3kzf s ILE 314 Ca 0.50 -2.01 -0.05 0.00 -0.26 0.00 0.00 60.65 58.83 3kzf s ILE 314 Cb -0.32 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.53 3kzf s ILE 314 CO 0.37 -0.02 0.31 1.17 0.24 0.00 0.00 174.94 177.01 3kzf n LYS 315 N -0.80 -0.08 0.00 0.37 4.81 -1.26 0.56 118.16 121.76 3kzf n LYS 315 Ca -0.04 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3kzf n LYS 315 Cb 0.67 -0.44 0.00 0.00 0.02 0.00 0.00 35.03 35.27 3kzf n LYS 315 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10