#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azy n PHE 2 N 0.00 -3.95 -2.21 -1.77 3.01 -1.26 -4.86 117.46 106.42 1azy n PHE 2 Ca 0.00 -0.72 0.00 0.00 1.01 0.00 0.00 57.45 57.74 1azy n PHE 2 Cb 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1azy n PHE 2 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1azy n LEU 3 N 0.00 -6.03 -0.06 4.37 4.77 -1.26 -4.57 117.00 114.22 1azy n LEU 3 Ca 0.10 3.05 -0.11 0.00 -0.03 0.00 0.00 56.01 59.02 1azy n LEU 3 Cb 0.35 -3.15 0.04 0.00 -2.33 0.00 0.00 43.42 38.32 1azy n LEU 3 CO 0.25 -2.25 0.55 0.00 -1.33 0.00 0.00 177.39 174.62 1azy h ALA 4 N 4.37 0.69 -0.52 -1.18 0.00 -1.99 -2.34 119.26 118.29 1azy h ALA 4 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1azy h ALA 4 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1azy h ALA 4 CO 0.00 0.67 0.24 1.96 0.00 0.00 0.00 179.25 182.12 1azy h GLN 5 N 0.61 0.75 -0.16 0.00 4.20 -1.98 -0.74 115.11 117.80 1azy h GLN 5 Ca 0.04 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1azy h GLN 5 Cb 0.98 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 1azy h GLN 5 CO 0.09 0.63 -0.11 1.49 -0.67 0.00 0.00 178.83 180.26 1azy h GLU 6 N 0.69 -0.11 -0.07 1.46 4.81 -1.79 -1.60 114.58 117.98 1azy h GLU 6 Ca 0.18 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1azy h GLU 6 Cb 0.13 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1azy h GLU 6 CO -0.02 -0.07 0.03 0.82 -0.73 0.00 0.00 179.01 179.04 1azy h ILE 7 N -0.11 1.11 -0.55 2.32 1.08 -1.15 -2.55 117.51 117.66 1azy h ILE 7 Ca 0.09 -0.31 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 1azy h ILE 7 Cb 0.25 1.19 -0.07 0.00 -3.07 0.00 0.00 36.82 35.12 1azy h ILE 7 CO -0.22 0.09 0.15 0.40 -0.69 0.00 0.00 178.15 177.88 1azy h ILE 8 N -0.01 0.73 0.46 -0.67 2.04 -0.98 -2.72 117.51 116.36 1azy h ILE 8 Ca 0.02 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1azy h ILE 8 Cb 0.12 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1azy h ILE 8 CO -0.00 0.06 -0.34 -0.09 0.00 0.00 0.00 178.15 177.77 1azy h ARG 9 N 0.30 -0.76 -0.75 2.37 2.43 -1.16 -0.35 114.38 116.48 1azy h ARG 9 Ca 0.28 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.60 1azy h ARG 9 Cb 0.37 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 29.98 1azy h ARG 9 CO -0.33 -0.50 -0.48 0.87 -1.51 0.00 0.00 179.97 178.02 1azy h LYS 10 N -0.78 -0.14 -0.67 0.20 1.57 -1.16 0.20 116.57 115.79 1azy h LYS 10 Ca -0.05 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1azy h LYS 10 Cb 0.66 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1azy h LYS 10 CO 0.01 -0.09 0.28 -0.22 -0.57 0.00 0.00 179.45 178.86 1azy h LYS 11 N -0.15 0.97 -0.71 3.15 1.63 -1.43 -1.77 116.57 118.27 1azy h LYS 11 Ca 0.19 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1azy h LYS 11 Cb 0.53 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 1azy h LYS 11 CO -0.80 0.77 0.38 -0.09 -3.45 0.00 0.00 179.45 176.26 1azy h ARG 12 N 0.95 0.98 -0.97 1.90 2.43 0.11 -2.20 114.38 117.57 1azy h ARG 12 Ca 0.23 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1azy h ARG 12 Cb 0.16 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 29.44 1azy h ARG 12 CO -0.02 0.73 0.15 -0.25 -1.51 0.00 0.00 179.97 179.07 1azy n ASP 13 N -4.36 3.06 -1.90 -3.80 8.00 0.27 -4.86 116.55 112.96 1azy n ASP 13 Ca 0.07 -2.43 -0.16 0.00 0.71 0.00 0.00 54.79 52.98 1azy n ASP 13 Cb 0.10 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1azy n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1azy n GLY 14 N 0.05 -0.26 3.91 0.44 0.00 -0.83 -5.03 105.19 103.46 1azy n GLY 14 Ca 0.16 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1azy n GLY 14 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1azy s HIS 15 N -2.83 3.07 -0.16 1.61 3.76 -0.71 -5.02 115.29 115.01 1azy s HIS 15 Ca 0.05 -0.21 -0.13 0.00 -0.15 0.00 0.00 55.06 54.62 1azy s HIS 15 Cb -0.02 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.84 1azy s HIS 15 CO 0.06 0.20 0.27 0.00 -0.85 0.00 0.00 174.74 174.43 1azy s ALA 16 N -2.19 3.62 0.23 -1.40 0.00 -1.26 -4.29 121.76 116.46 1azy s ALA 16 Ca 0.40 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 1azy s ALA 16 Cb -0.08 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.61 1azy s ALA 16 CO 0.28 0.14 0.90 -0.51 0.00 0.00 0.00 175.76 176.57 1azy s LEU 17 N 0.31 4.62 0.82 0.00 1.43 -1.26 -4.98 118.68 119.63 1azy s LEU 17 Ca 0.16 1.87 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 1azy s LEU 17 Cb -0.13 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.62 1azy s LEU 17 CO 0.04 0.16 1.13 -0.94 0.23 0.00 0.00 176.35 176.97 1azy s SER 18 N -1.20 4.34 0.07 2.29 1.04 -1.26 -4.80 113.70 114.19 1azy s SER 18 Ca 0.40 1.01 -0.22 0.00 0.48 0.00 0.00 55.95 57.62 1azy s SER 18 Cb -0.25 -1.63 -0.13 0.00 0.10 0.00 0.00 66.02 64.11 1azy s SER 18 CO 0.30 -2.03 1.59 -0.78 0.98 0.00 0.00 173.24 173.31 1azy h ASP 19 N -1.14 0.13 -0.70 7.02 3.58 -1.97 -0.05 116.42 123.30 1azy h ASP 19 Ca -0.47 -0.18 0.11 0.00 0.42 0.00 0.00 57.03 56.91 1azy h ASP 19 Cb 1.30 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 1azy h ASP 19 CO 0.63 0.27 0.47 -0.33 -2.88 0.00 0.00 179.24 177.40 1azy h GLU 20 N -0.02 0.48 -0.00 0.28 3.07 -1.98 0.38 114.58 116.79 1azy h GLU 20 Ca 0.03 -0.03 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 1azy h GLU 20 Cb 0.18 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1azy h GLU 20 CO -0.00 0.32 -0.89 0.93 -1.40 0.00 0.00 179.01 177.96 1azy h GLU 21 N 0.49 0.61 -0.42 2.33 5.08 -1.76 -1.75 114.58 119.17 1azy h GLU 21 Ca 0.33 -0.65 -0.13 0.00 -1.00 0.00 0.00 59.36 57.91 1azy h GLU 21 Cb 0.62 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1azy h GLU 21 CO -0.11 1.25 -0.25 0.82 -1.00 0.00 0.00 179.01 179.73 1azy h ILE 22 N 0.24 1.28 -0.36 3.13 2.04 -0.05 -1.94 117.51 121.84 1azy h ILE 22 Ca -0.11 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 1azy h ILE 22 Cb 1.56 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1azy h ILE 22 CO 0.18 0.48 0.18 0.03 0.00 0.00 0.00 178.15 179.01 1azy h ARG 23 N 0.74 0.52 -0.88 2.37 3.08 -0.33 -1.51 114.38 118.36 1azy h ARG 23 Ca 0.09 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1azy h ARG 23 Cb 0.82 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 1azy h ARG 23 CO 0.07 0.46 0.57 0.35 -1.07 0.00 0.00 179.97 180.35 1azy h PHE 24 N 0.45 1.08 -0.16 3.04 3.04 -1.23 -2.41 116.94 120.75 1azy h PHE 24 Ca 0.12 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.07 1azy h PHE 24 Cb 0.11 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 1azy h PHE 24 CO -0.02 0.64 -0.01 0.35 -2.02 0.00 0.00 178.31 177.24 1azy h PHE 25 N 1.13 0.32 -0.70 0.41 3.04 -0.98 -2.85 116.94 117.31 1azy h PHE 25 Ca 0.35 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 1azy h PHE 25 Cb -0.03 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 1azy h PHE 25 CO -0.02 0.53 0.44 0.82 -2.02 0.00 0.00 178.31 178.06 1azy h ILE 26 N 0.02 1.20 -0.53 1.41 1.08 -1.04 -1.23 117.51 118.40 1azy h ILE 26 Ca 0.04 -0.41 -0.06 0.00 -0.39 0.00 0.00 64.86 64.04 1azy h ILE 26 Cb 0.41 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1azy h ILE 26 CO 0.01 0.20 0.08 0.78 -0.69 0.00 0.00 178.15 178.53 1azy h ASN 27 N 0.95 0.80 -0.05 1.72 2.35 -1.51 -0.93 115.58 118.92 1azy h ASN 27 Ca 0.25 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1azy h ASN 27 Cb -0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1azy h ASN 27 CO -0.05 0.82 -0.06 1.23 -1.65 0.00 0.00 177.43 177.72 1azy h GLY 28 N 0.98 0.27 1.02 2.83 0.00 -1.10 0.60 103.07 107.67 1azy h GLY 28 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 1azy h GLY 28 CO 0.01 0.14 -0.11 -2.22 0.00 0.00 0.00 176.54 174.36 1azy h ILE 29 N 0.25 1.27 -0.19 2.60 2.04 -0.07 -1.78 117.51 121.63 1azy h ILE 29 Ca 0.06 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.63 1azy h ILE 29 Cb 0.27 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1azy h ILE 29 CO 0.01 0.42 -0.14 -0.09 0.00 0.00 0.00 178.15 178.34 1azy h ARG 30 N 0.68 0.44 -0.93 2.37 2.43 -0.05 -3.18 114.38 116.14 1azy h ARG 30 Ca 0.11 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1azy h ARG 30 Cb 0.65 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1azy h ARG 30 CO 0.04 0.76 0.00 -0.25 -1.51 0.00 0.00 179.97 179.02 1azy n ASP 31 N -4.52 1.71 -1.10 -3.80 8.00 0.20 -4.89 116.55 112.15 1azy n ASP 31 Ca -0.05 -2.14 -0.08 0.00 0.71 0.00 0.00 54.79 53.23 1azy n ASP 31 Cb 0.36 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 1azy n ASP 31 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1azy n ASN 32 N 0.09 -2.52 0.09 -2.24 2.85 -1.08 -4.80 115.26 107.65 1azy n ASN 32 Ca 0.04 0.20 0.12 0.00 -0.11 0.00 0.00 54.58 54.83 1azy n ASN 32 Cb 0.39 -2.39 0.17 0.00 1.24 0.00 0.00 39.78 39.20 1azy n ASN 32 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1azy h THR 33 N 0.00 0.00 -3.49 -0.44 1.35 -1.63 -3.43 112.91 105.28 1azy h THR 33 Ca -0.17 -0.62 -0.71 0.00 -0.55 0.00 0.00 66.41 64.36 1azy h THR 33 Cb 0.59 1.28 -0.27 0.00 -1.73 0.00 0.00 68.15 68.02 1azy h THR 33 CO 0.25 0.00 -0.48 -0.63 -0.25 0.00 0.00 175.52 174.40 1azy s ILE 34 N -3.20 4.29 0.98 6.82 1.01 -0.88 -5.02 121.20 125.21 1azy s ILE 34 Ca 0.06 -1.28 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 1azy s ILE 34 Cb 0.12 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 39.06 1azy s ILE 34 CO 0.71 -0.44 0.29 -1.54 0.00 0.00 0.00 174.94 173.96 1azy n SER 35 N 4.93 -2.25 -0.04 3.58 3.41 -1.26 -4.72 113.62 117.26 1azy n SER 35 Ca -0.11 0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1azy n SER 35 Cb 0.44 -1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 63.22 1azy n SER 35 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1azy h GLU 36 N -1.64 -0.24 -0.49 4.33 4.81 -1.98 -0.87 114.58 118.50 1azy h GLU 36 Ca -0.45 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.88 1azy h GLU 36 Cb 1.30 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 1azy h GLU 36 CO 0.35 -0.16 0.34 0.78 -0.73 0.00 0.00 179.01 179.58 1azy h GLY 37 N -0.25 0.41 2.00 1.92 0.00 -1.98 0.17 103.07 105.34 1azy h GLY 37 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1azy h GLY 37 CO -0.38 0.08 -0.16 1.46 0.00 0.00 0.00 176.54 177.54 1azy h GLN 38 N 0.31 0.00 0.07 4.80 4.20 -1.52 -1.67 115.11 121.29 1azy h GLN 38 Ca 0.22 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.81 1azy h GLN 38 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1azy h GLN 38 CO -0.05 0.16 -0.58 0.82 -0.67 0.00 0.00 178.83 178.52 1azy h ILE 39 N 0.00 1.53 -0.33 2.54 2.04 0.10 -3.15 117.51 120.24 1azy h ILE 39 Ca -0.00 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.44 1azy h ILE 39 Cb 0.95 3.14 -0.02 0.00 -0.74 0.00 0.00 36.82 40.15 1azy h ILE 39 CO 0.02 0.63 0.17 0.00 0.00 0.00 0.00 178.15 178.97 1azy h ALA 40 N -0.02 1.67 -0.02 1.87 0.00 -0.84 -1.52 119.26 120.41 1azy h ALA 40 Ca -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1azy h ALA 40 Cb 1.35 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1azy h ALA 40 CO 0.04 0.27 -0.01 0.00 0.00 0.00 0.00 179.25 179.55 1azy h ALA 41 N 1.73 0.02 -0.54 0.00 0.00 -1.42 -2.73 119.26 116.33 1azy h ALA 41 Ca 0.12 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1azy h ALA 41 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1azy h ALA 41 CO -0.02 -0.23 0.11 1.25 0.00 0.00 0.00 179.25 180.37 1azy h LEU 42 N -0.42 0.79 -0.78 0.00 5.85 -1.46 -2.13 115.31 117.17 1azy h LEU 42 Ca 0.00 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1azy h LEU 42 Cb 0.49 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1azy h LEU 42 CO 0.00 0.79 0.51 0.00 -0.34 0.00 0.00 178.44 179.40 1azy h ALA 43 N 1.32 0.99 -0.41 1.25 0.00 -1.30 -2.45 119.26 118.65 1azy h ALA 43 Ca 0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1azy h ALA 43 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1azy h ALA 43 CO 0.00 0.41 -0.00 0.52 0.00 0.00 0.00 179.25 180.18 1azy h MET 44 N 1.06 0.73 -0.12 0.00 2.86 -1.12 -1.69 114.93 116.64 1azy h MET 44 Ca 0.28 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1azy h MET 44 Cb -0.12 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1azy h MET 44 CO -0.06 0.81 0.08 1.79 1.06 0.00 0.00 176.91 180.59 1azy h THR 45 N 0.56 1.03 0.00 2.22 1.35 -1.15 0.16 112.91 117.08 1azy h THR 45 Ca 0.12 -0.05 -0.20 0.00 -0.55 0.00 0.00 66.41 65.73 1azy h THR 45 Cb 0.48 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1azy h THR 45 CO 0.02 0.03 -0.88 0.40 -0.25 0.00 0.00 175.52 174.84 1azy h ILE 46 N 0.16 1.51 0.00 6.82 2.04 -1.20 0.83 117.51 127.67 1azy h ILE 46 Ca 0.04 -2.65 -0.02 0.00 1.00 0.00 0.00 64.86 63.23 1azy h ILE 46 Cb -0.01 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1azy h ILE 46 CO -0.01 0.77 -0.09 0.15 0.00 0.00 0.00 178.15 178.97 1azy h PHE 47 N 0.09 0.00 0.00 1.37 3.57 -0.04 0.48 116.94 122.42 1azy h PHE 47 Ca -0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1azy h PHE 47 Cb 1.51 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 1azy h PHE 47 CO 0.03 0.09 -1.78 1.19 -2.23 0.00 0.00 178.31 175.61 1azy n PHE 48 N -3.29 0.00 0.12 0.41 3.72 -0.74 -4.63 117.46 113.05 1azy n PHE 48 Ca -0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 1azy n PHE 48 Cb 0.31 -0.40 -0.02 0.00 -0.94 0.00 0.00 39.48 38.43 1azy n PHE 48 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1azy n HIS 49 N -2.11 0.00 -4.83 1.38 8.25 0.27 -5.10 115.22 113.09 1azy n HIS 49 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1azy n HIS 49 Cb 0.47 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1azy n HIS 49 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1azy n ASP 50 N -1.10 -4.30 -3.76 0.41 -0.08 0.17 -4.87 116.55 103.02 1azy n ASP 50 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.16 1azy n ASP 50 Cb 0.05 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.37 1azy n ASP 50 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1azy s MET 51 N 0.00 0.16 0.79 -0.67 -1.94 -1.26 -4.74 119.30 111.63 1azy s MET 51 Ca 0.00 0.38 -0.13 0.00 -1.71 0.00 0.00 55.69 54.24 1azy s MET 51 Cb 0.00 -0.09 0.07 0.00 2.01 0.00 0.00 34.83 36.83 1azy s MET 51 CO 0.00 -0.13 1.16 0.95 -0.01 0.00 0.00 175.02 176.99 1azy s THR 52 N 0.90 2.51 0.26 2.05 -4.23 -1.26 -4.59 115.64 111.28 1azy s THR 52 Ca -0.07 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1azy s THR 52 Cb -0.08 -2.58 0.33 0.00 1.34 0.00 0.00 72.50 71.50 1azy s THR 52 CO -0.05 -0.18 1.61 -0.03 -0.54 0.00 0.00 174.62 175.43 1azy h MET 53 N -0.91 0.05 -0.28 3.99 4.05 -2.01 0.27 114.93 120.09 1azy h MET 53 Ca -0.45 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.97 1azy h MET 53 Cb 1.27 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 1azy h MET 53 CO 0.48 0.03 0.17 -1.35 0.23 0.00 0.00 176.91 176.48 1azy h PRO 54 N 0.05 0.35 -0.97 0.39 0.11 -2.00 -0.87 132.00 129.07 1azy h PRO 54 Ca 0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1azy h PRO 54 Cb 0.76 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.74 1azy h PRO 54 CO -0.77 0.23 0.61 0.93 -0.21 0.00 0.00 178.00 178.79 1azy h GLU 55 N 0.36 1.30 -0.57 1.05 5.08 -1.39 -1.19 114.58 119.22 1azy h GLU 55 Ca 0.11 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1azy h GLU 55 Cb -0.02 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.92 1azy h GLU 55 CO -0.04 0.89 0.34 0.00 -1.00 0.00 0.00 179.01 179.20 1azy h ARG 56 N 1.33 0.78 -0.30 2.33 3.08 0.11 -1.13 114.38 120.59 1azy h ARG 56 Ca 0.35 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.21 1azy h ARG 56 Cb -0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1azy h ARG 56 CO -0.07 0.57 -0.27 0.28 -1.07 0.00 0.00 179.97 179.42 1azy h VAL 57 N 0.77 1.30 -0.63 2.04 2.07 -0.80 -2.87 116.25 118.14 1azy h VAL 57 Ca 0.20 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1azy h VAL 57 Cb -0.00 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1azy h VAL 57 CO -0.04 0.46 0.33 0.28 0.02 0.00 0.00 177.57 178.62 1azy h SER 58 N 0.45 0.78 0.16 0.57 0.02 -1.03 -0.47 113.55 114.03 1azy h SER 58 Ca 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1azy h SER 58 Cb 0.83 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1azy h SER 58 CO 0.07 0.64 -0.08 0.25 -1.14 0.00 0.00 176.83 176.57 1azy h LEU 59 N 0.88 -0.18 -0.16 5.07 5.85 -1.16 -0.53 115.31 125.09 1azy h LEU 59 Ca 0.22 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1azy h LEU 59 Cb 0.04 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1azy h LEU 59 CO -0.03 0.07 -0.00 0.74 -0.34 0.00 0.00 178.44 178.87 1azy h THR 60 N -0.44 0.89 -0.46 1.05 2.02 -1.27 -1.86 112.91 112.84 1azy h THR 60 Ca -0.02 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1azy h THR 60 Cb 0.34 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1azy h THR 60 CO 0.04 0.01 0.30 0.24 0.37 0.00 0.00 175.52 176.47 1azy h MET 61 N 0.05 0.59 0.00 6.66 2.86 -1.07 0.11 114.93 124.13 1azy h MET 61 Ca 0.07 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1azy h MET 61 Cb 0.09 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1azy h MET 61 CO -0.12 0.39 0.00 0.00 1.06 0.00 0.00 176.91 178.24 1azy h ALA 62 N 1.18 1.00 0.09 6.32 0.00 -0.85 -0.39 119.26 126.62 1azy h ALA 62 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 1azy h ALA 62 Cb -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1azy h ALA 62 CO -0.05 0.00 -1.81 0.52 0.00 0.00 0.00 179.25 177.91 1azy h MET 63 N 0.00 0.20 0.12 0.00 2.86 -0.42 -3.14 114.93 114.54 1azy h MET 63 Ca 0.00 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1azy h MET 63 Cb 0.26 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1azy h MET 63 CO 0.00 1.00 -0.06 -0.09 1.06 0.00 0.00 176.91 178.82 1azy h ARG 64 N 0.05 -0.16 0.00 1.72 2.43 -0.30 -2.41 114.38 115.71 1azy h ARG 64 Ca -0.35 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1azy h ARG 64 Cb 2.03 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1azy h ARG 64 CO 0.11 0.08 0.00 -0.25 -1.51 0.00 0.00 179.97 178.40 1azy n ASP 65 N -5.06 0.00 -0.17 -3.80 9.92 -0.20 -2.68 116.55 114.55 1azy n ASP 65 Ca -0.09 -0.64 -0.07 0.00 -0.53 0.00 0.00 54.79 53.46 1azy n ASP 65 Cb 0.18 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.74 1azy n ASP 65 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1azy h SER 66 N 0.00 0.93 0.00 -2.24 0.87 -1.38 -3.45 113.55 108.28 1azy h SER 66 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1azy h SER 66 Cb 0.00 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1azy h SER 66 CO 0.00 0.98 0.00 0.61 -0.53 0.00 0.00 176.83 177.89 1azy n GLY 67 N -0.52 3.07 3.89 5.77 0.00 -1.09 -4.71 105.19 111.59 1azy n GLY 67 Ca 0.03 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1azy n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1azy s THR 68 N 4.14 5.41 -0.25 2.61 -4.23 0.45 -4.95 115.64 118.83 1azy s THR 68 Ca 0.00 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 1azy s THR 68 Cb 0.00 -3.50 0.05 0.00 1.34 0.00 0.00 72.50 70.39 1azy s THR 68 CO 0.00 0.45 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.73 1azy s VAL 69 N -1.20 2.09 0.75 2.29 1.01 -1.26 -4.70 120.40 119.38 1azy s VAL 69 Ca 0.23 -1.49 -0.14 0.00 0.00 0.00 0.00 61.98 60.57 1azy s VAL 69 Cb -0.13 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.14 1azy s VAL 69 CO 0.12 0.05 1.19 -0.76 0.00 0.00 0.00 175.10 175.71 1azy s LEU 70 N 1.16 3.25 -0.12 3.92 1.43 0.25 -4.95 118.68 123.61 1azy s LEU 70 Ca -0.07 2.31 -0.06 0.00 -1.03 0.00 0.00 54.13 55.28 1azy s LEU 70 Cb -0.19 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.50 1azy s LEU 70 CO -0.06 -2.35 0.27 -0.62 0.23 0.00 0.00 176.35 173.82 1azy s ASP 71 N -2.18 -0.19 -0.15 2.29 2.15 -1.26 -3.97 116.67 113.36 1azy s ASP 71 Ca 0.73 0.59 0.16 0.00 0.43 0.00 0.00 52.55 54.46 1azy s ASP 71 Cb -0.28 0.52 0.53 0.00 -0.30 0.00 0.00 42.92 43.40 1azy s ASP 71 CO 0.47 -0.18 1.44 0.79 -0.17 0.00 0.00 175.17 177.52 1azy n TRP 72 N 4.45 1.00 -0.06 -5.34 7.02 -1.26 -4.65 117.44 118.60 1azy n TRP 72 Ca -0.22 -0.79 -0.11 0.00 -1.02 0.00 0.00 57.50 55.37 1azy n TRP 72 Cb 0.53 -0.28 -0.05 0.00 -2.42 0.00 0.00 31.31 29.08 1azy n TRP 72 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1azy h LYS 73 N 2.16 0.30 -0.46 -0.99 3.64 -1.98 -2.96 116.57 116.28 1azy h LYS 73 Ca 0.00 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1azy h LYS 73 Cb 1.38 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1azy h LYS 73 CO 0.21 0.45 0.31 0.66 -2.27 0.00 0.00 179.45 178.81 1azy h SER 74 N 0.10 0.46 0.72 4.20 4.64 -2.04 -1.13 113.55 120.51 1azy h SER 74 Ca 0.06 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1azy h SER 74 Cb 0.29 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1azy h SER 74 CO 0.00 0.32 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.15 1azy h LEU 75 N 0.53 0.00 -2.27 5.97 3.38 -1.84 -3.47 115.31 117.62 1azy h LEU 75 Ca 0.18 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.68 1azy h LEU 75 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1azy h LEU 75 CO -0.05 0.06 -0.89 1.41 0.09 0.00 0.00 178.44 179.06 1azy n HIS 76 N -3.24 -1.75 -1.87 1.13 8.25 -0.43 -4.93 115.22 112.37 1azy n HIS 76 Ca -0.00 0.67 -0.33 0.00 -0.26 0.00 0.00 57.72 57.79 1azy n HIS 76 Cb 0.28 -3.75 0.04 0.00 1.12 0.00 0.00 29.99 27.68 1azy n HIS 76 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1azy s LEU 77 N -6.80 3.47 -0.82 2.41 1.43 -1.26 -4.95 118.68 112.16 1azy s LEU 77 Ca 0.13 2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 55.25 1azy s LEU 77 Cb -0.05 -4.56 0.36 0.00 0.03 0.00 0.00 46.19 41.98 1azy s LEU 77 CO 0.87 -1.53 2.00 -0.46 0.23 0.00 0.00 176.35 177.45 1azy n ASN 78 N -2.17 7.45 -3.66 2.29 6.94 -1.26 -4.95 115.26 119.90 1azy n ASN 78 Ca 0.11 -3.83 -0.00 0.00 -0.02 0.00 0.00 54.58 50.83 1azy n ASN 78 Cb 0.52 -1.04 -0.01 0.00 -2.36 0.00 0.00 39.78 36.89 1azy n ASN 78 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1azy s GLY 79 N -1.25 -0.32 0.30 4.83 0.00 -1.26 -4.99 107.32 104.64 1azy s GLY 79 Ca 0.53 0.42 -0.27 0.00 0.00 0.00 0.00 44.72 45.40 1azy s GLY 79 CO -0.37 0.40 0.97 2.56 0.00 0.00 0.00 173.10 176.66 1azy s PRO 80 N -2.70 4.63 -0.41 2.90 0.04 -1.26 -4.82 135.00 133.39 1azy s PRO 80 Ca 0.14 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1azy s PRO 80 Cb 0.02 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.63 1azy s PRO 80 CO -0.01 0.30 0.66 0.42 0.04 0.00 0.00 177.00 178.40 1azy s ILE 81 N -1.45 4.83 0.26 0.56 -1.09 -1.26 -1.04 121.20 122.00 1azy s ILE 81 Ca 0.48 0.35 0.01 0.00 -2.23 0.00 0.00 60.65 59.26 1azy s ILE 81 Cb -0.22 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.44 1azy s ILE 81 CO 0.28 -0.50 0.09 0.68 -1.23 0.00 0.00 174.94 174.27 1azy s VAL 82 N 2.83 0.59 -0.19 2.92 -7.23 -0.68 0.37 120.40 119.01 1azy s VAL 82 Ca 0.24 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.10 1azy s VAL 82 Cb -0.14 -2.62 0.15 0.00 0.56 0.00 0.00 36.38 34.33 1azy s VAL 82 CO 0.18 -0.02 1.17 -0.62 -0.31 0.00 0.00 175.10 175.49 1azy s ASP 83 N -3.31 -0.19 0.26 4.85 2.15 -1.22 -4.15 116.67 115.07 1azy s ASP 83 Ca 0.37 0.11 0.09 0.00 0.43 0.00 0.00 52.55 53.56 1azy s ASP 83 Cb 0.08 0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 42.83 1azy s ASP 83 CO 0.13 -0.24 0.04 -1.59 -0.17 0.00 0.00 175.17 173.35 1azy s LYS 84 N -1.76 2.45 -0.01 4.34 -2.85 -1.26 -2.94 119.74 117.70 1azy s LYS 84 Ca 0.06 -1.33 -0.00 0.00 -1.00 0.00 0.00 55.97 53.70 1azy s LYS 84 Cb -0.01 -2.26 0.01 0.00 -2.06 0.00 0.00 37.83 33.52 1azy s LYS 84 CO -0.04 0.37 0.02 -1.58 0.10 0.00 0.00 175.35 174.22 1azy s HIS 85 N -2.28 0.00 0.39 1.78 2.46 -0.43 -4.93 115.29 112.28 1azy s HIS 85 Ca 0.32 0.09 0.08 0.00 0.47 0.00 0.00 55.06 56.01 1azy s HIS 85 Cb -0.07 -0.10 -0.07 0.00 -0.13 0.00 0.00 32.58 32.21 1azy s HIS 85 CO 0.21 -0.05 0.02 0.45 -2.47 0.00 0.00 174.74 172.90 1azy s SER 86 N 0.51 3.98 -0.16 9.88 0.15 -1.26 -0.06 113.70 126.73 1azy s SER 86 Ca -0.04 -1.24 0.16 0.00 0.70 0.00 0.00 55.95 55.53 1azy s SER 86 Cb -0.06 -0.42 0.68 0.00 -1.71 0.00 0.00 66.02 64.51 1azy s SER 86 CO -0.01 -0.39 1.59 0.35 1.20 0.00 0.00 173.24 175.98 1azy n THR 87 N -0.97 2.20 0.00 6.45 -2.24 -1.15 -4.91 114.28 113.65 1azy n THR 87 Ca -0.04 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1azy n THR 87 Cb 0.65 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1azy n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1azy n GLY 88 N 0.50 -2.00 0.00 3.38 0.00 -1.26 -4.75 105.19 101.06 1azy n GLY 88 Ca 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1azy n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1azy n GLY 89 N -2.22 0.96 3.58 -0.02 0.00 -1.26 -4.86 105.19 101.37 1azy n GLY 89 Ca 0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1azy n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1azy s VAL 90 N -2.00 5.05 0.00 1.61 1.01 -1.26 -3.72 120.40 121.09 1azy s VAL 90 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1azy s VAL 90 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1azy s VAL 90 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1azy n GLY 91 N 4.67 0.73 3.30 4.51 0.00 -1.26 -2.47 105.19 114.67 1azy n GLY 91 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1azy n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1azy n ASP 92 N 0.00 3.48 -1.89 1.61 2.03 -1.24 -2.24 116.55 118.29 1azy n ASP 92 Ca 0.00 -2.77 0.06 0.00 0.52 0.00 0.00 54.79 52.60 1azy n ASP 92 Cb 0.00 -1.55 0.40 0.00 -0.72 0.00 0.00 41.12 39.25 1azy n ASP 92 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1azy n VAL 93 N 6.51 2.74 0.25 5.18 3.14 -1.26 -4.62 118.33 130.27 1azy n VAL 93 Ca 0.48 -1.39 0.14 0.00 -2.96 0.00 0.00 64.34 60.61 1azy n VAL 93 Cb 0.43 -0.29 0.79 0.00 -1.06 0.00 0.00 33.84 33.72 1azy n VAL 93 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1azy h THR 94 N 3.87 0.69 -0.23 1.55 1.35 -1.95 -2.86 112.91 115.33 1azy h THR 94 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.81 1azy h THR 94 Cb 1.99 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 1azy h THR 94 CO 0.50 0.00 -0.15 -1.28 -0.25 0.00 0.00 175.52 174.35 1azy h SER 95 N 0.00 0.37 0.14 5.36 0.87 -1.98 0.18 113.55 118.49 1azy h SER 95 Ca 0.04 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1azy h SER 95 Cb 0.17 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1azy h SER 95 CO -0.00 0.55 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.50 1azy h LEU 96 N 0.36 0.22 0.11 2.23 3.38 -1.89 -2.25 115.31 117.47 1azy h LEU 96 Ca 0.07 -0.07 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1azy h LEU 96 Cb 0.48 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1azy h LEU 96 CO 0.03 0.50 -1.80 0.24 0.09 0.00 0.00 178.44 177.51 1azy h MET 97 N 0.20 0.23 -0.35 1.13 2.86 -1.65 -3.39 114.93 113.96 1azy h MET 97 Ca 0.03 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.33 1azy h MET 97 Cb 0.60 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1azy h MET 97 CO 0.04 1.19 0.05 1.25 1.06 0.00 0.00 176.91 180.50 1azy h LEU 98 N -0.15 -0.03 0.02 1.22 6.46 -0.62 -2.29 115.31 119.92 1azy h LEU 98 Ca -0.39 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.46 1azy h LEU 98 Cb 1.89 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.86 1azy h LEU 98 CO 0.04 0.02 -0.37 1.23 -0.62 0.00 0.00 178.44 178.74 1azy h GLY 99 N 0.16 -0.66 1.00 3.75 0.00 -1.61 -2.34 103.07 103.38 1azy h GLY 99 Ca 0.17 0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.92 1azy h GLY 99 CO -0.24 -0.25 -0.17 -2.55 0.00 0.00 0.00 176.54 173.34 1azy h PRO 100 N -0.54 -0.45 -0.66 4.80 0.11 -1.74 -2.89 132.00 130.63 1azy h PRO 100 Ca 0.05 0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.33 1azy h PRO 100 Cb 0.61 0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.72 1azy h PRO 100 CO -0.27 -0.30 0.10 0.52 -0.21 0.00 0.00 178.00 177.84 1azy h MET 101 N -0.47 0.20 0.00 1.05 2.86 -1.34 -0.69 114.93 116.55 1azy h MET 101 Ca -0.05 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1azy h MET 101 Cb 0.36 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1azy h MET 101 CO 0.08 0.13 -0.58 0.28 1.06 0.00 0.00 176.91 177.88 1azy h VAL 102 N 0.21 1.23 0.00 -2.22 2.07 -1.47 -3.06 116.25 113.01 1azy h VAL 102 Ca 0.36 -2.12 -0.15 0.00 0.82 0.00 0.00 66.70 65.61 1azy h VAL 102 Cb 0.58 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1azy h VAL 102 CO -0.49 0.57 -0.69 0.00 0.02 0.00 0.00 177.57 176.97 1azy h ALA 103 N 1.42 0.74 0.00 1.67 0.00 -1.15 -0.63 119.26 121.32 1azy h ALA 103 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1azy h ALA 103 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1azy h ALA 103 CO 0.08 0.87 0.00 0.00 0.00 0.00 0.00 179.25 180.19 1azy n ALA 104 N -2.36 2.33 -1.02 0.00 0.00 -0.34 -2.64 120.51 116.49 1azy n ALA 104 Ca -0.00 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1azy n ALA 104 Cb 0.72 -1.40 0.13 0.00 0.00 0.00 0.00 19.45 18.90 1azy n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1azy n GLY 106 N -1.38 0.76 3.81 0.00 0.00 -1.08 -4.96 105.19 102.34 1azy n GLY 106 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1azy n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1azy s GLY 107 N -1.87 2.05 -0.26 -0.02 0.00 -0.28 -4.03 107.32 102.91 1azy s GLY 107 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 1azy s GLY 107 CO 0.00 -0.58 0.16 -0.19 0.00 0.00 0.00 173.10 172.48 1azy s TYR 108 N -1.10 3.20 -0.51 1.90 1.51 -0.21 -3.52 117.35 118.63 1azy s TYR 108 Ca 0.19 0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1azy s TYR 108 Cb -0.12 -2.32 0.13 0.00 -0.11 0.00 0.00 41.96 39.54 1azy s TYR 108 CO 0.09 -0.16 0.30 0.42 -1.11 0.00 0.00 175.55 175.09 1azy s ILE 109 N 1.59 3.30 -1.37 2.71 -1.09 -0.54 -1.69 121.20 124.11 1azy s ILE 109 Ca 0.07 -2.63 -0.08 0.00 -2.23 0.00 0.00 60.65 55.78 1azy s ILE 109 Cb -0.15 -3.23 0.10 0.00 -1.58 0.00 0.00 42.46 37.60 1azy s ILE 109 CO 0.08 -0.78 2.30 -0.81 -1.23 0.00 0.00 174.94 174.51 1azy n PRO 110 N 3.91 4.03 -1.61 2.79 -0.04 -1.26 -2.94 135.00 139.88 1azy n PRO 110 Ca 0.03 -3.23 -0.15 0.00 -0.04 0.00 0.00 63.50 60.12 1azy n PRO 110 Cb 0.39 -2.80 -0.11 0.00 -0.04 0.00 0.00 33.50 30.93 1azy n PRO 110 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1azy s MET 111 N 0.15 1.18 -0.78 0.54 -1.94 -1.01 -4.90 119.30 112.55 1azy s MET 111 Ca 0.51 -0.42 -0.26 0.00 -1.71 0.00 0.00 55.69 53.82 1azy s MET 111 Cb 0.15 -4.98 0.04 0.00 2.01 0.00 0.00 34.83 32.06 1azy s MET 111 CO -0.06 -5.50 1.26 0.42 -0.01 0.00 0.00 175.02 171.14 1azy s ILE 112 N 17.02 3.85 0.00 2.53 1.01 -1.26 -2.32 121.20 142.03 1azy s ILE 112 Ca 0.82 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1azy s ILE 112 Cb -0.05 -4.91 0.00 0.00 0.01 0.00 0.00 42.46 37.51 1azy s ILE 112 CO 0.18 -1.81 0.00 -1.20 0.00 0.00 0.00 174.94 172.11 1azy n SER 113 N 9.03 0.00 -1.55 3.58 7.64 0.05 -4.82 113.62 127.55 1azy n SER 113 Ca 0.07 -0.19 -0.01 0.00 1.01 0.00 0.00 58.87 59.76 1azy n SER 113 Cb 0.49 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.71 1azy n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1azy n GLY 114 N 5.00 -0.20 7.00 0.23 0.00 -1.26 -2.93 105.19 113.03 1azy n GLY 114 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1azy n GLY 114 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1azy n ARG 115 N -0.32 0.00 0.00 1.61 1.85 -1.26 -4.73 116.66 113.80 1azy n ARG 115 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1azy n ARG 115 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 1azy n ARG 115 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1azy n GLY 116 N 0.00 -1.93 3.77 2.89 0.00 -1.21 -4.34 105.19 104.37 1azy n GLY 116 Ca 0.00 0.92 -0.40 0.00 0.00 0.00 0.00 46.02 46.54 1azy n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1azy s LEU 117 N 0.00 4.12 0.00 0.99 1.02 -1.26 -1.57 118.68 121.98 1azy s LEU 117 Ca 0.00 2.87 0.00 0.00 0.02 0.00 0.00 54.13 57.02 1azy s LEU 117 Cb 0.00 -3.94 0.00 0.00 0.02 0.00 0.00 46.19 42.27 1azy s LEU 117 CO 0.00 -1.13 0.00 0.61 0.02 0.00 0.00 176.35 175.85 1azy n GLY 118 N 0.59 2.81 0.54 -3.19 0.00 -1.26 -4.62 105.19 100.06 1azy n GLY 118 Ca 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.30 1azy n GLY 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1azy n HIS 119 N 0.00 0.00 -3.84 1.61 1.44 -1.25 -4.95 115.22 108.24 1azy n HIS 119 Ca 0.00 -0.09 -0.29 0.00 -2.01 0.00 0.00 57.72 55.33 1azy n HIS 119 Cb 0.00 0.29 -0.16 0.00 0.12 0.00 0.00 29.99 30.24 1azy n HIS 119 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1azy s THR 120 N 0.00 1.04 -0.93 0.61 2.01 -0.61 -4.93 115.64 112.83 1azy s THR 120 Ca 0.00 -0.89 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 1azy s THR 120 Cb 0.00 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 71.01 1azy s THR 120 CO 0.00 -0.15 2.04 -0.83 -0.69 0.00 0.00 174.62 174.99 1azy s GLY 121 N 1.62 -0.07 0.76 4.40 0.00 -1.26 -3.34 107.32 109.42 1azy s GLY 121 Ca -0.03 -1.46 -0.13 0.00 0.00 0.00 0.00 44.72 43.10 1azy s GLY 121 CO -0.07 3.68 1.16 -0.32 0.00 0.00 0.00 173.10 177.54 1azy s GLY 122 N 8.40 2.06 0.29 0.20 0.00 -1.26 -4.91 107.32 112.09 1azy s GLY 122 Ca 0.75 0.65 0.10 0.00 0.00 0.00 0.00 44.72 46.22 1azy s GLY 122 CO 0.04 1.04 1.66 -0.91 0.00 0.00 0.00 173.10 174.92 1azy h THR 123 N -0.69 1.39 -0.82 0.90 1.35 -1.92 -3.15 112.91 109.97 1azy h THR 123 Ca -0.46 -1.88 0.15 0.00 -0.55 0.00 0.00 66.41 63.67 1azy h THR 123 Cb 1.27 2.00 -0.06 0.00 -1.73 0.00 0.00 68.15 69.62 1azy h THR 123 CO 0.49 0.54 0.54 -0.07 -0.25 0.00 0.00 175.52 176.77 1azy h LEU 124 N 0.04 0.53 -0.21 3.87 3.38 -1.92 0.56 115.31 121.55 1azy h LEU 124 Ca -0.00 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1azy h LEU 124 Cb 0.98 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1azy h LEU 124 CO 0.07 0.27 -0.90 0.44 0.09 0.00 0.00 178.44 178.41 1azy h ASP 125 N 0.56 0.02 -0.02 -0.43 3.32 -1.94 -3.03 116.42 114.90 1azy h ASP 125 Ca 0.41 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 1azy h ASP 125 Cb 0.78 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 1azy h ASP 125 CO -0.16 0.91 0.00 0.11 -1.72 0.00 0.00 179.24 178.38 1azy h LYS 126 N 0.01 0.04 0.00 3.56 1.57 -1.02 -2.69 116.57 118.04 1azy h LYS 126 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1azy h LYS 126 Cb 1.59 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.89 1azy h LYS 126 CO 0.12 0.33 0.00 -0.07 -0.57 0.00 0.00 179.45 179.26 1azy h LEU 127 N -0.26 0.00 -0.28 2.94 3.38 -1.14 -1.20 115.31 118.75 1azy h LEU 127 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1azy h LEU 127 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1azy h LEU 127 CO 0.00 0.00 -0.14 -0.62 0.09 0.00 0.00 178.44 177.77 1azy n GLU 128 N -2.42 0.69 0.00 1.13 1.02 -1.01 -3.07 120.64 116.99 1azy n GLU 128 Ca -0.01 -0.28 0.15 0.00 -0.02 0.00 0.00 57.16 57.00 1azy n GLU 128 Cb 0.08 -1.49 0.80 0.00 -0.02 0.00 0.00 31.44 30.81 1azy n GLU 128 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1azy n SER 129 N -0.91 0.27 -4.51 1.62 3.41 -0.45 -4.61 113.62 108.43 1azy n SER 129 Ca 0.14 -0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 57.50 1azy n SER 129 Cb 0.29 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 1azy n SER 129 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1azy s ILE 130 N -2.19 5.11 -0.71 -1.33 1.01 -1.17 -4.37 121.20 117.56 1azy s ILE 130 Ca 0.40 -0.13 -0.36 0.00 0.00 0.00 0.00 60.65 60.55 1azy s ILE 130 Cb 0.21 -3.95 -0.19 0.00 0.01 0.00 0.00 42.46 38.55 1azy s ILE 130 CO 0.40 -0.27 2.41 -2.65 0.00 0.00 0.00 174.94 174.83 1azy n PRO 131 N 5.53 0.16 -0.07 2.79 -0.02 -1.26 -1.27 135.00 140.86 1azy n PRO 131 Ca -0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1azy n PRO 131 Cb 0.48 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1azy n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azy n GLY 132 N 6.88 0.62 3.58 -1.23 0.00 -1.26 -4.33 105.19 109.45 1azy n GLY 132 Ca 0.58 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 46.14 1azy n GLY 132 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1azy n PHE 133 N -2.00 2.00 -3.30 1.61 7.35 -0.40 -4.36 117.46 118.36 1azy n PHE 133 Ca 0.00 -0.02 -0.43 0.00 -0.76 0.00 0.00 57.45 56.24 1azy n PHE 133 Cb 0.00 -2.67 -0.08 0.00 0.35 0.00 0.00 39.48 37.07 1azy n PHE 133 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1azy s ASP 134 N 6.86 6.21 0.00 -2.13 2.15 0.12 -4.86 116.67 125.02 1azy s ASP 134 Ca 1.00 -0.59 0.18 0.00 0.43 0.00 0.00 52.55 53.58 1azy s ASP 134 Cb -0.55 -2.23 0.54 0.00 -0.30 0.00 0.00 42.92 40.38 1azy s ASP 134 CO 0.43 -0.58 1.43 2.30 -0.17 0.00 0.00 175.17 178.57 1azy n ILE 135 N 5.47 0.41 -2.62 4.11 -5.35 -1.26 -4.47 119.36 115.64 1azy n ILE 135 Ca -0.07 -0.49 -0.27 0.00 -0.27 0.00 0.00 62.75 61.65 1azy n ILE 135 Cb 0.48 0.41 -0.01 0.00 -1.74 0.00 0.00 39.64 38.77 1azy n ILE 135 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1azy n PHE 136 N 0.65 3.54 -2.35 4.28 3.72 -1.26 -0.81 117.46 125.23 1azy n PHE 136 Ca 0.16 -3.37 -0.37 0.00 -0.05 0.00 0.00 57.45 53.82 1azy n PHE 136 Cb 0.38 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 1azy n PHE 136 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1azy s PRO 137 N -3.51 3.93 0.88 -1.08 0.04 -1.26 -5.00 135.00 129.00 1azy s PRO 137 Ca 0.48 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 1azy s PRO 137 Cb 0.37 -2.50 0.12 0.00 0.04 0.00 0.00 34.50 32.53 1azy s PRO 137 CO -0.17 -0.39 1.09 0.16 0.04 0.00 0.00 177.00 177.73 1azy s ASP 138 N -1.38 3.57 0.20 6.66 -4.77 -1.26 -4.62 116.67 115.08 1azy s ASP 138 Ca 0.61 1.67 -0.18 0.00 -3.30 0.00 0.00 52.55 51.35 1azy s ASP 138 Cb -0.27 -2.33 0.19 0.00 -1.09 0.00 0.00 42.92 39.42 1azy s ASP 138 CO 0.33 -2.61 1.59 0.44 0.70 0.00 0.00 175.17 175.63 1azy h ASP 139 N -1.53 -1.01 -0.89 2.11 3.32 -1.98 0.19 116.42 116.62 1azy h ASP 139 Ca -0.48 0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1azy h ASP 139 Cb 1.27 0.54 -0.04 0.00 0.22 0.00 0.00 39.33 41.32 1azy h ASP 139 CO 0.52 -0.28 0.50 0.78 -1.72 0.00 0.00 179.24 179.03 1azy h ASN 140 N -0.10 1.11 -0.39 6.45 2.35 -1.99 0.20 115.58 123.21 1azy h ASN 140 Ca 0.28 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 1azy h ASN 140 Cb 0.55 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1azy h ASN 140 CO -0.72 0.89 -0.20 -0.09 -1.65 0.00 0.00 177.43 175.66 1azy h ARG 141 N 1.25 0.83 -0.05 0.81 9.65 -1.66 -2.30 114.38 122.91 1azy h ARG 141 Ca 0.32 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1azy h ARG 141 Cb 0.02 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1azy h ARG 141 CO -0.05 1.00 0.03 0.35 2.80 0.00 0.00 179.97 184.10 1azy h PHE 142 N 0.64 0.07 -0.78 2.20 3.57 -0.19 -1.89 116.94 120.55 1azy h PHE 142 Ca 0.09 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.73 1azy h PHE 142 Cb 0.75 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 1azy h PHE 142 CO 0.06 0.06 0.51 0.00 -2.23 0.00 0.00 178.31 176.71 1azy h ARG 143 N 0.06 0.48 0.02 1.11 3.08 -0.53 -2.28 114.38 116.31 1azy h ARG 143 Ca 0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1azy h ARG 143 Cb 0.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1azy h ARG 143 CO -0.00 0.32 -0.01 0.93 -1.07 0.00 0.00 179.97 180.14 1azy h GLU 144 N 0.50 -0.02 -0.60 0.04 5.08 -0.79 -2.99 114.58 115.80 1azy h GLU 144 Ca 0.38 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 1azy h GLU 144 Cb 0.77 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 1azy h GLU 144 CO -0.14 0.43 0.30 0.82 -1.00 0.00 0.00 179.01 179.42 1azy h ILE 145 N -0.47 0.91 0.35 3.13 2.04 -0.83 0.56 117.51 123.20 1azy h ILE 145 Ca -0.00 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1azy h ILE 145 Cb 0.46 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1azy h ILE 145 CO 0.00 0.10 -0.35 0.40 0.00 0.00 0.00 178.15 178.31 1azy h ILE 146 N 0.55 0.28 -0.74 -0.67 1.08 -1.50 0.73 117.51 117.24 1azy h ILE 146 Ca 0.28 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.74 1azy h ILE 146 Cb 0.23 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.23 1azy h ILE 146 CO -0.21 0.00 0.42 0.50 -0.69 0.00 0.00 178.15 178.17 1azy h LYS 147 N -0.73 1.02 0.15 2.37 3.64 -1.33 0.75 116.57 122.44 1azy h LYS 147 Ca -0.02 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1azy h LYS 147 Cb 0.65 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1azy h LYS 147 CO -0.06 0.75 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.36 1azy h ASP 148 N 1.02 -0.17 0.01 4.20 3.32 -0.73 -3.40 116.42 120.67 1azy h ASP 148 Ca 0.26 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 1azy h ASP 148 Cb 0.02 0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.62 1azy h ASP 148 CO -0.04 0.10 -0.43 0.58 -1.72 0.00 0.00 179.24 177.73 1azy h VAL 149 N -0.64 1.50 0.00 -1.35 2.07 0.38 -3.49 116.25 114.72 1azy h VAL 149 Ca -0.02 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1azy h VAL 149 Cb 0.15 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1azy h VAL 149 CO 0.03 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.81 1azy n GLY 150 N 1.11 2.20 3.64 2.17 0.00 0.26 -4.94 105.19 109.62 1azy n GLY 150 Ca -0.10 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1azy n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1azy s VAL 151 N -0.74 1.92 -0.30 1.61 1.01 -1.26 -1.47 120.40 121.17 1azy s VAL 151 Ca 0.00 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 59.80 1azy s VAL 151 Cb 0.00 -2.91 0.20 0.00 0.00 0.00 0.00 36.38 33.67 1azy s VAL 151 CO 0.00 0.00 1.26 0.00 0.00 0.00 0.00 175.10 176.36 1azy s ALA 152 N -2.73 -3.11 -0.44 5.51 0.00 -1.15 -4.27 121.76 115.57 1azy s ALA 152 Ca 0.32 1.85 -0.06 0.00 0.00 0.00 0.00 51.96 54.07 1azy s ALA 152 Cb 0.09 -2.21 0.11 0.00 0.00 0.00 0.00 23.12 21.11 1azy s ALA 152 CO 0.16 -0.82 0.27 0.42 0.00 0.00 0.00 175.76 175.79 1azy s ILE 153 N 1.85 3.73 0.24 0.00 1.01 -1.26 -2.39 121.20 124.37 1azy s ILE 153 Ca -0.02 -1.92 0.11 0.00 0.00 0.00 0.00 60.65 58.82 1azy s ILE 153 Cb -0.01 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1azy s ILE 153 CO -0.15 -0.73 -0.20 0.27 0.00 0.00 0.00 174.94 174.14 1azy s ILE 154 N 1.25 2.27 0.32 2.92 -4.36 -0.98 -4.81 121.20 117.80 1azy s ILE 154 Ca 0.07 -2.24 -0.23 0.00 -0.26 0.00 0.00 60.65 57.98 1azy s ILE 154 Cb -0.24 -2.17 -0.10 0.00 1.25 0.00 0.00 42.46 41.20 1azy s ILE 154 CO -0.02 -0.36 0.88 -0.83 0.24 0.00 0.00 174.94 174.85 1azy s GLY 155 N -3.21 2.67 0.07 6.27 0.00 0.01 -0.77 107.32 112.36 1azy s GLY 155 Ca 0.25 0.39 -0.32 0.00 0.00 0.00 0.00 44.72 45.05 1azy s GLY 155 CO 0.12 0.78 1.86 0.61 0.00 0.00 0.00 173.10 176.47 1azy n GLN 156 N 0.36 2.68 -1.36 2.90 10.64 -1.15 -4.85 117.38 126.60 1azy n GLN 156 Ca 0.02 0.98 -0.37 0.00 -1.83 0.00 0.00 57.00 55.79 1azy n GLN 156 Cb 0.51 -2.87 -0.04 0.00 -0.86 0.00 0.00 30.24 26.98 1azy n GLN 156 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1azy n THR 157 N 4.90 4.32 0.00 -0.39 -1.04 -1.26 -4.89 114.28 115.93 1azy n THR 157 Ca 0.19 -2.69 0.00 0.00 -2.04 0.00 0.00 64.05 59.51 1azy n THR 157 Cb 0.36 -2.51 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 1azy n THR 157 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1azy n SER 158 N 3.28 0.00 -2.18 8.00 7.64 -1.26 -4.53 113.62 124.58 1azy n SER 158 Ca 0.74 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1azy n SER 158 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1azy n SER 158 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1azy n SER 159 N 0.19 0.00 -0.03 6.43 3.41 -1.26 -4.31 113.62 118.05 1azy n SER 159 Ca 0.00 -0.76 -0.01 0.00 -0.26 0.00 0.00 58.87 57.84 1azy n SER 159 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1azy n SER 159 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1azy h LEU 160 N 3.60 0.00 -6.44 1.04 5.85 -1.84 1.31 115.31 118.83 1azy h LEU 160 Ca 0.00 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 1azy h LEU 160 Cb 0.00 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 40.65 1azy h LEU 160 CO 0.03 0.27 -0.94 0.00 -0.34 0.00 0.00 178.44 177.46 1azy s ALA 161 N -2.89 1.44 0.14 1.25 0.00 -1.26 -2.97 121.76 117.47 1azy s ALA 161 Ca -0.05 -2.42 -0.12 0.00 0.00 0.00 0.00 51.96 49.37 1azy s ALA 161 Cb 0.01 -1.62 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1azy s ALA 161 CO 0.07 -2.00 1.56 -1.35 0.00 0.00 0.00 175.76 174.04 1azy h PRO 162 N 5.86 0.86 -0.99 0.00 0.11 -1.84 -3.24 132.00 132.77 1azy h PRO 162 Ca 0.23 -0.31 0.19 0.00 0.11 0.00 0.00 66.00 66.21 1azy h PRO 162 Cb 0.91 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 31.87 1azy h PRO 162 CO 0.37 0.95 0.61 0.00 -0.21 0.00 0.00 178.00 179.72 1azy h ALA 163 N 0.88 1.77 -0.00 -0.75 0.00 -1.87 0.18 119.26 119.46 1azy h ALA 163 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1azy h ALA 163 Cb 0.61 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1azy h ALA 163 CO 0.04 -0.11 0.01 0.22 0.00 0.00 0.00 179.25 179.40 1azy h ASP 164 N 0.72 0.00 0.88 0.00 3.58 -1.89 -2.00 116.42 117.70 1azy h ASP 164 Ca 0.55 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.96 1azy h ASP 164 Cb 0.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1azy h ASP 164 CO -0.33 0.00 -0.49 0.50 -2.88 0.00 0.00 179.24 176.04 1azy h LYS 165 N 0.00 -1.22 -0.26 0.28 1.63 -0.79 -0.78 116.57 115.43 1azy h LYS 165 Ca 0.00 0.08 -0.13 0.00 -0.85 0.00 0.00 60.65 59.75 1azy h LYS 165 Cb 0.01 0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1azy h LYS 165 CO -0.00 -0.81 -0.36 0.00 -3.45 0.00 0.00 179.45 174.82 1azy h ARG 166 N -1.27 0.70 -0.39 1.90 3.08 -1.62 -2.60 114.38 114.19 1azy h ARG 166 Ca -0.12 -0.41 0.05 0.00 0.07 0.00 0.00 59.98 59.57 1azy h ARG 166 Cb 1.00 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 1azy h ARG 166 CO 0.15 1.03 0.12 0.35 -1.07 0.00 0.00 179.97 180.56 1azy h PHE 167 N 0.43 0.22 -0.38 3.04 3.04 -1.41 -2.03 116.94 119.85 1azy h PHE 167 Ca 0.03 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.84 1azy h PHE 167 Cb 0.95 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 1azy h PHE 167 CO 0.08 0.08 -0.39 -0.92 -2.02 0.00 0.00 178.31 175.14 1azy h TYR 168 N 0.28 1.13 -0.69 0.41 3.20 -1.17 -2.48 116.97 117.64 1azy h TYR 168 Ca 0.18 -0.34 0.03 0.00 3.14 0.00 0.00 58.73 61.74 1azy h TYR 168 Cb 0.17 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1azy h TYR 168 CO -0.16 1.17 0.43 0.00 -1.64 0.00 0.00 178.16 177.96 1azy h ALA 169 N 0.77 0.91 0.24 1.82 0.00 -1.23 -1.63 119.26 120.13 1azy h ALA 169 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1azy h ALA 169 Cb 0.98 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1azy h ALA 169 CO 0.10 0.20 -0.12 1.15 0.00 0.00 0.00 179.25 180.57 1azy h THR 170 N 0.84 0.82 -0.97 0.00 2.02 -1.37 -3.18 112.91 111.06 1azy h THR 170 Ca 0.28 -0.53 0.20 0.00 0.77 0.00 0.00 66.41 67.12 1azy h THR 170 Cb 0.03 1.12 -0.09 0.00 -1.74 0.00 0.00 68.15 67.47 1azy h THR 170 CO -0.11 0.11 0.61 0.03 0.37 0.00 0.00 175.52 176.53 1azy h ARG 171 N -0.61 0.60 -0.05 6.66 3.08 -1.24 -1.62 114.38 121.21 1azy h ARG 171 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1azy h ARG 171 Cb 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1azy h ARG 171 CO 0.05 0.40 -0.09 0.22 -1.07 0.00 0.00 179.97 179.48 1azy h ASP 172 N 0.62 0.07 -0.01 7.04 3.58 -1.28 -2.81 116.42 123.63 1azy h ASP 172 Ca 0.53 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.97 1azy h ASP 172 Cb 1.02 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1azy h ASP 172 CO -0.29 0.17 -0.61 2.30 -2.88 0.00 0.00 179.24 177.93 1azy n ILE 173 N -4.39 0.00 -0.33 2.25 -5.35 -0.68 -4.39 119.36 106.47 1azy n ILE 173 Ca -0.02 -0.19 0.07 0.00 -0.27 0.00 0.00 62.75 62.34 1azy n ILE 173 Cb 0.19 1.10 0.22 0.00 -1.74 0.00 0.00 39.64 39.41 1azy n ILE 173 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1azy n THR 174 N -0.77 1.19 -2.29 7.28 -2.24 -0.79 -4.99 114.28 111.66 1azy n THR 174 Ca 0.05 -1.10 -0.19 0.00 -2.27 0.00 0.00 64.05 60.55 1azy n THR 174 Cb 0.33 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1azy n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1azy n ALA 175 N 0.71 -0.54 -1.09 6.98 0.00 -1.11 -4.90 120.51 120.56 1azy n ALA 175 Ca 0.16 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.86 1azy n ALA 175 Cb 0.55 -2.03 0.18 0.00 0.00 0.00 0.00 19.45 18.15 1azy n ALA 175 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1azy n THR 176 N -3.89 2.07 0.08 0.00 -2.24 -1.08 -4.69 114.28 104.53 1azy n THR 176 Ca -0.22 -2.23 -0.16 0.00 -2.27 0.00 0.00 64.05 59.17 1azy n THR 176 Cb 0.67 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 1azy n THR 176 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1azy h VAL 177 N 0.67 1.39 -0.43 2.28 3.04 -1.90 -3.36 116.25 117.94 1azy h VAL 177 Ca 0.01 -2.55 -0.70 0.00 -1.01 0.00 0.00 66.70 62.45 1azy h VAL 177 Cb 1.17 2.56 -0.03 0.00 -2.01 0.00 0.00 31.29 32.98 1azy h VAL 177 CO 0.09 0.76 3.26 -0.90 -1.01 0.00 0.00 177.57 179.77 1azy n ASP 178 N -3.72 7.98 -3.87 3.17 5.75 -1.26 -4.69 116.55 119.91 1azy n ASP 178 Ca -0.09 -2.80 -0.29 0.00 -0.01 0.00 0.00 54.79 51.60 1azy n ASP 178 Cb 0.90 -1.50 -0.16 0.00 -1.03 0.00 0.00 41.12 39.33 1azy n ASP 178 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1azy s SER 179 N 1.62 3.48 0.28 -1.12 0.15 -1.26 -5.05 113.70 111.80 1azy s SER 179 Ca 0.62 -1.03 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1azy s SER 179 Cb 0.17 -0.97 0.66 0.00 -1.71 0.00 0.00 66.02 64.17 1azy s SER 179 CO -0.07 -0.25 1.71 0.40 1.20 0.00 0.00 173.24 176.23 1azy h ILE 180 N 6.60 0.54 -0.85 6.45 2.04 -1.96 -1.28 117.51 129.06 1azy h ILE 180 Ca -0.18 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1azy h ILE 180 Cb 1.09 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1azy h ILE 180 CO 0.39 0.08 0.40 -0.65 0.00 0.00 0.00 178.15 178.37 1azy h PRO 181 N 0.44 1.22 -0.26 2.37 0.11 -1.96 -0.77 132.00 133.15 1azy h PRO 181 Ca 0.52 -0.18 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 1azy h PRO 181 Cb 0.93 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1azy h PRO 181 CO -0.49 0.94 -0.46 -0.07 -0.21 0.00 0.00 178.00 177.71 1azy h LEU 182 N 1.21 0.75 -0.02 2.35 3.38 -1.66 -2.84 115.31 118.47 1azy h LEU 182 Ca 0.29 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1azy h LEU 182 Cb 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1azy h LEU 182 CO -0.04 1.09 -0.01 0.40 0.09 0.00 0.00 178.44 179.98 1azy h ILE 183 N 0.55 1.30 -0.41 1.22 2.04 -1.03 -2.00 117.51 119.18 1azy h ILE 183 Ca 0.03 -0.89 0.09 0.00 1.00 0.00 0.00 64.86 65.09 1azy h ILE 183 Cb 1.01 1.85 -0.09 0.00 -0.74 0.00 0.00 36.82 38.86 1azy h ILE 183 CO 0.10 0.24 -0.19 0.74 0.00 0.00 0.00 178.15 179.04 1azy h THR 184 N -0.32 0.43 -0.08 -0.27 2.02 -1.15 -0.89 112.91 112.65 1azy h THR 184 Ca 0.01 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 1azy h THR 184 Cb 0.39 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1azy h THR 184 CO 0.00 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.46 1azy h ALA 185 N 1.19 1.13 0.03 6.16 0.00 -1.52 -2.92 119.26 123.34 1azy h ALA 185 Ca 0.20 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1azy h ALA 185 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1azy h ALA 185 CO -0.48 0.59 -0.02 1.03 0.00 0.00 0.00 179.25 180.37 1azy h SER 186 N 0.15 -0.04 -0.00 0.00 0.87 -0.42 -2.45 113.55 111.66 1azy h SER 186 Ca 0.01 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1azy h SER 186 Cb 0.82 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1azy h SER 186 CO 0.06 0.24 0.00 0.40 -0.53 0.00 0.00 176.83 177.00 1azy h ILE 187 N -0.32 1.05 0.00 2.23 2.04 -1.28 -3.18 117.51 118.05 1azy h ILE 187 Ca -0.00 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1azy h ILE 187 Cb 0.29 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1azy h ILE 187 CO 0.01 0.04 -0.22 -0.07 0.00 0.00 0.00 178.15 177.90 1azy h LEU 188 N -0.05 0.00 -0.22 1.44 3.38 -1.60 -3.29 115.31 114.98 1azy h LEU 188 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1azy h LEU 188 Cb 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1azy h LEU 188 CO -0.00 0.22 -0.14 0.00 0.09 0.00 0.00 178.44 178.62 1azy h ALA 189 N 1.78 0.03 -0.10 1.53 0.00 -1.41 0.42 119.26 121.50 1azy h ALA 189 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1azy h ALA 189 Cb 0.69 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1azy h ALA 189 CO 0.03 -0.56 0.06 0.87 0.00 0.00 0.00 179.25 179.65 1azy h LYS 190 N -0.13 0.15 -0.09 0.00 1.79 -1.71 -3.04 116.57 113.54 1azy h LYS 190 Ca 0.12 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1azy h LYS 190 Cb 0.31 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1azy h LYS 190 CO -0.30 0.18 0.01 0.87 -1.08 0.00 0.00 179.45 179.13 1azy h LYS 191 N 0.07 0.15 0.00 3.15 1.79 -1.57 -2.76 116.57 117.40 1azy h LYS 191 Ca 0.04 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1azy h LYS 191 Cb 0.08 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1azy h LYS 191 CO -0.01 0.39 0.00 1.28 -1.08 0.00 0.00 179.45 180.04 1azy n LEU 192 N -4.85 0.00 0.13 2.94 4.77 0.14 -0.76 117.00 119.37 1azy n LEU 192 Ca -0.06 0.40 0.01 0.00 -0.03 0.00 0.00 56.01 56.33 1azy n LEU 192 Cb 0.18 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1azy n LEU 192 CO 0.35 -0.37 0.42 0.00 -1.33 0.00 0.00 177.39 176.46 1azy h ALA 193 N 2.10 0.63 0.00 -1.18 0.00 -1.37 -3.23 119.26 116.22 1azy h ALA 193 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1azy h ALA 193 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1azy h ALA 193 CO 0.00 0.73 0.00 0.39 0.00 0.00 0.00 179.25 180.37 1azy n GLU 194 N -3.26 0.37 -3.22 0.00 1.02 0.06 -0.58 120.64 115.03 1azy n GLU 194 Ca 0.02 0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 1azy n GLU 194 Cb 0.76 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.75 1azy n GLU 194 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1azy n GLY 195 N -0.04 -0.21 3.75 0.62 0.00 -1.22 -4.70 105.19 103.39 1azy n GLY 195 Ca 0.10 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1azy n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1azy s LEU 196 N -5.65 2.22 -0.08 0.99 1.43 -1.26 -4.83 118.68 111.49 1azy s LEU 196 Ca 0.18 1.31 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 1azy s LEU 196 Cb -0.08 -3.74 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 1azy s LEU 196 CO 0.58 -2.50 -0.04 0.47 0.23 0.00 0.00 176.35 175.08 1azy n ASP 197 N -3.78 3.28 -3.90 2.29 8.00 0.16 -4.85 116.55 117.76 1azy n ASP 197 Ca 0.07 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.45 1azy n ASP 197 Cb 0.56 0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.75 1azy n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1azy s ALA 198 N -2.18 -0.11 0.14 2.24 0.00 -1.10 -2.20 121.76 118.55 1azy s ALA 198 Ca -0.09 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1azy s ALA 198 Cb 0.03 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1azy s ALA 198 CO 0.24 -0.46 0.31 -1.17 0.00 0.00 0.00 175.76 174.68 1azy s LEU 199 N -2.74 0.88 -0.13 0.00 2.96 -0.53 -3.38 118.68 115.74 1azy s LEU 199 Ca 0.04 -0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 1azy s LEU 199 Cb 0.04 1.40 0.07 0.00 0.50 0.00 0.00 46.19 48.20 1azy s LEU 199 CO -0.10 -0.85 0.24 0.54 -1.32 0.00 0.00 176.35 174.86 1azy s VAL 200 N -3.89 -0.37 -0.09 1.68 0.11 -1.15 -3.05 120.40 113.63 1azy s VAL 200 Ca 0.09 0.23 -0.19 0.00 -2.93 0.00 0.00 61.98 59.18 1azy s VAL 200 Cb 0.03 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1azy s VAL 200 CO -0.06 0.07 0.51 -0.04 -3.33 0.00 0.00 175.10 172.24 1azy s MET 201 N 2.38 4.32 -0.76 1.54 -1.94 -0.63 -1.32 119.30 122.90 1azy s MET 201 Ca 0.03 0.52 -0.10 0.00 -1.71 0.00 0.00 55.69 54.43 1azy s MET 201 Cb -0.13 -3.42 0.20 0.00 2.01 0.00 0.00 34.83 33.50 1azy s MET 201 CO -0.09 0.20 0.65 0.34 -0.01 0.00 0.00 175.02 176.12 1azy s ASP 202 N 0.46 6.21 -0.40 3.03 2.15 0.92 -0.60 116.67 128.44 1azy s ASP 202 Ca 0.27 -2.77 -0.22 0.00 0.43 0.00 0.00 52.55 50.26 1azy s ASP 202 Cb -0.16 -2.08 0.02 0.00 -0.30 0.00 0.00 42.92 40.40 1azy s ASP 202 CO 0.12 -0.49 0.74 -0.69 -0.17 0.00 0.00 175.17 174.68 1azy s VAL 203 N 0.06 4.74 0.51 1.11 1.01 0.30 -2.95 120.40 125.18 1azy s VAL 203 Ca 0.18 0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.53 1azy s VAL 203 Cb -0.14 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 1azy s VAL 203 CO -0.07 -0.54 1.07 -0.54 0.00 0.00 0.00 175.10 175.02 1azy s LYS 204 N 3.08 3.64 0.02 2.72 -0.14 -1.26 -1.79 119.74 126.00 1azy s LYS 204 Ca 0.29 1.44 0.04 0.00 -1.36 0.00 0.00 55.97 56.37 1azy s LYS 204 Cb -0.13 -2.06 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1azy s LYS 204 CO 0.19 -0.58 -0.11 0.14 -0.76 0.00 0.00 175.35 174.22 1azy s VAL 205 N -1.92 0.89 0.00 3.17 -7.23 0.11 -4.36 120.40 111.05 1azy s VAL 205 Ca 0.69 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1azy s VAL 205 Cb -0.19 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 35.96 1azy s VAL 205 CO 0.23 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 1azy n GLY 206 N 2.27 0.00 0.21 2.32 0.00 -1.26 -1.39 105.19 107.35 1azy n GLY 206 Ca -0.17 -2.28 -0.01 0.00 0.00 0.00 0.00 46.02 43.56 1azy n GLY 206 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1azy h SER 207 N 0.00 -0.18 -0.16 1.61 4.64 -1.90 0.60 113.55 118.15 1azy h SER 207 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1azy h SER 207 Cb 0.00 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1azy h SER 207 CO 0.00 -0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 1azy n GLY 208 N -1.33 1.03 3.84 -0.77 0.00 -0.45 -4.90 105.19 102.63 1azy n GLY 208 Ca 0.07 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1azy n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1azy s ALA 209 N -1.57 3.10 -0.00 4.61 0.00 0.20 -4.82 121.76 123.27 1azy s ALA 209 Ca 0.13 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 1azy s ALA 209 Cb 0.09 -3.07 -0.11 0.00 0.00 0.00 0.00 23.12 20.03 1azy s ALA 209 CO 0.06 -0.15 0.92 0.35 0.00 0.00 0.00 175.76 176.94 1azy h PHE 210 N 1.11 -0.69 -3.97 0.00 3.57 -1.85 -3.44 116.94 111.67 1azy h PHE 210 Ca -0.47 -0.02 -0.50 0.00 3.53 0.00 0.00 57.97 60.51 1azy h PHE 210 Cb 1.18 0.23 0.05 0.00 2.79 0.00 0.00 35.95 40.20 1azy h PHE 210 CO 0.63 -0.43 0.48 -1.64 -2.23 0.00 0.00 178.31 175.12 1azy s MET 211 N -4.04 3.97 0.26 1.11 -1.94 -1.26 -4.97 119.30 112.43 1azy s MET 211 Ca -0.11 1.75 -0.03 0.00 -1.71 0.00 0.00 55.69 55.59 1azy s MET 211 Cb 0.01 -2.55 0.34 0.00 2.01 0.00 0.00 34.83 34.64 1azy s MET 211 CO 0.33 -0.37 1.81 -1.00 -0.01 0.00 0.00 175.02 175.78 1azy h PRO 212 N 2.40 0.91 -5.79 2.03 0.13 -1.93 -3.45 132.00 126.30 1azy h PRO 212 Ca -0.49 -0.19 -0.49 0.00 -0.87 0.00 0.00 66.00 63.96 1azy h PRO 212 Cb 1.24 -0.14 -0.18 0.00 0.13 0.00 0.00 31.00 32.05 1azy h PRO 212 CO 0.62 0.80 -0.78 0.95 -0.23 0.00 0.00 178.00 179.36 1azy s THR 213 N -5.26 1.67 0.27 1.56 -4.23 -1.26 -4.97 115.64 103.42 1azy s THR 213 Ca -0.10 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.56 1azy s THR 213 Cb 0.15 -1.74 0.26 0.00 1.34 0.00 0.00 72.50 72.51 1azy s THR 213 CO 0.81 -0.34 1.83 0.22 -0.54 0.00 0.00 174.62 176.60 1azy h TYR 214 N 3.36 1.06 0.00 3.99 3.20 -1.97 0.20 116.97 126.81 1azy h TYR 214 Ca -0.42 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.46 1azy h TYR 214 Cb 1.20 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 1azy h TYR 214 CO 0.67 0.42 -0.12 0.93 -1.64 0.00 0.00 178.16 178.42 1azy h GLU 215 N 0.94 0.00 0.00 1.82 3.07 -1.99 -0.80 114.58 117.62 1azy h GLU 215 Ca 0.47 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.10 1azy h GLU 215 Cb 0.44 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1azy h GLU 215 CO -0.26 0.12 -1.51 -0.07 -1.40 0.00 0.00 179.01 175.90 1azy h LEU 216 N 0.00 0.00 -0.32 1.33 3.38 -1.09 -2.43 115.31 116.18 1azy h LEU 216 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1azy h LEU 216 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1azy h LEU 216 CO 0.02 0.81 -0.35 0.28 0.09 0.00 0.00 178.44 179.29 1azy h SER 217 N 0.00 0.85 -0.56 -0.43 0.02 -0.51 -2.04 113.55 110.88 1azy h SER 217 Ca -0.21 -0.48 -0.08 0.00 -0.84 0.00 0.00 61.79 60.18 1azy h SER 217 Cb 1.81 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.08 1azy h SER 217 CO 0.07 1.16 0.04 -0.08 -1.14 0.00 0.00 176.83 176.88 1azy h GLU 218 N 0.57 0.96 -0.20 3.45 4.81 -1.27 -1.49 114.58 121.39 1azy h GLU 218 Ca 0.05 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1azy h GLU 218 Cb 0.93 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 1azy h GLU 218 CO 0.08 0.94 -0.01 0.00 -0.73 0.00 0.00 179.01 179.29 1azy h ALA 219 N 0.98 0.17 -0.78 2.92 0.00 -1.32 -1.32 119.26 119.91 1azy h ALA 219 Ca 0.16 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1azy h ALA 219 Cb 0.48 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1azy h ALA 219 CO 0.02 -0.44 0.33 1.25 0.00 0.00 0.00 179.25 180.41 1azy h LEU 220 N 0.05 1.07 -0.71 0.00 5.85 -1.19 -2.56 115.31 117.82 1azy h LEU 220 Ca 0.10 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1azy h LEU 220 Cb 0.13 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1azy h LEU 220 CO -0.18 0.94 0.44 0.00 -0.34 0.00 0.00 178.44 179.30 1azy h ALA 221 N 1.17 0.92 -0.16 1.25 0.00 -0.71 -1.12 119.26 120.61 1azy h ALA 221 Ca 0.26 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1azy h ALA 221 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1azy h ALA 221 CO -0.02 0.22 -0.32 0.93 0.00 0.00 0.00 179.25 180.05 1azy h GLU 222 N 0.86 0.32 -0.18 0.00 3.07 -1.05 -2.64 114.58 114.96 1azy h GLU 222 Ca 0.28 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1azy h GLU 222 Cb 0.02 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1azy h GLU 222 CO -0.11 0.61 -0.18 0.00 -1.40 0.00 0.00 179.01 177.93 1azy h ALA 223 N 1.39 0.27 -0.47 3.43 0.00 -1.02 -2.80 119.26 120.06 1azy h ALA 223 Ca 0.04 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1azy h ALA 223 Cb 0.71 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1azy h ALA 223 CO 0.05 0.18 0.27 0.82 0.00 0.00 0.00 179.25 180.58 1azy h ILE 224 N 0.10 1.03 -0.81 0.00 2.04 -1.15 -1.81 117.51 116.91 1azy h ILE 224 Ca 0.03 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1azy h ILE 224 Cb 0.72 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1azy h ILE 224 CO 0.05 0.10 0.51 0.58 0.00 0.00 0.00 178.15 179.38 1azy h VAL 225 N 0.54 1.22 0.79 1.67 2.07 -1.51 -2.49 116.25 118.54 1azy h VAL 225 Ca 0.19 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1azy h VAL 225 Cb 0.04 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1azy h VAL 225 CO -0.10 0.22 -0.38 1.23 0.02 0.00 0.00 177.57 178.55 1azy h GLY 226 N 1.11 -1.11 1.94 2.17 0.00 -1.06 -2.48 103.07 103.64 1azy h GLY 226 Ca 0.29 0.41 -0.12 0.00 0.00 0.00 0.00 47.33 47.92 1azy h GLY 226 CO -0.06 -0.41 -0.52 -0.39 0.00 0.00 0.00 176.54 175.16 1azy h VAL 227 N -1.26 1.37 0.38 4.60 -1.51 -1.48 -0.50 116.25 117.85 1azy h VAL 227 Ca -0.11 -1.80 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 1azy h VAL 227 Cb 0.82 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1azy h VAL 227 CO 0.18 0.52 -0.18 0.00 -1.23 0.00 0.00 177.57 176.86 1azy h ALA 228 N 1.42 -0.51 -0.02 5.19 0.00 -1.54 0.36 119.26 124.17 1azy h ALA 228 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1azy h ALA 228 Cb 0.95 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1azy h ALA 228 CO 0.07 -0.63 0.02 -0.91 0.00 0.00 0.00 179.25 177.80 1azy h ASN 229 N -0.83 0.00 0.48 0.00 2.35 -1.43 0.43 115.58 116.59 1azy h ASN 229 Ca -0.05 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 1azy h ASN 229 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1azy h ASN 229 CO 0.09 0.00 -0.77 1.23 -1.65 0.00 0.00 177.43 176.33 1azy h GLY 230 N 0.00 0.25 0.12 2.83 0.00 -0.64 -3.07 103.07 102.55 1azy h GLY 230 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1azy h GLY 230 CO -0.00 0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.88 1azy n ALA 231 N -2.47 2.59 0.00 3.60 0.00 0.14 -4.91 120.51 119.46 1azy n ALA 231 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1azy n ALA 231 Cb 0.73 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1azy n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1azy n GLY 232 N 0.95 0.43 3.52 0.00 0.00 -0.65 -5.04 105.19 104.39 1azy n GLY 232 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1azy n GLY 232 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1azy s VAL 233 N -2.07 5.18 -0.66 1.61 1.01 -0.95 -4.95 120.40 119.58 1azy s VAL 233 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 1azy s VAL 233 Cb 0.00 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1azy s VAL 233 CO 0.00 -0.16 2.51 -1.14 0.00 0.00 0.00 175.10 176.30 1azy n ARG 234 N 5.35 0.70 -4.63 2.72 3.00 -0.93 -3.28 116.66 119.58 1azy n ARG 234 Ca -0.10 -0.02 -0.30 0.00 -0.00 0.00 0.00 57.85 57.43 1azy n ARG 234 Cb 0.49 -2.83 -0.13 0.00 0.00 0.00 0.00 32.46 29.99 1azy n ARG 234 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1azy s THR 235 N 11.21 2.71 0.15 5.15 2.01 -1.26 -1.45 115.64 134.16 1azy s THR 235 Ca 1.10 -1.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 1azy s THR 235 Cb -0.52 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1azy s THR 235 CO 0.33 0.30 0.09 0.42 -0.69 0.00 0.00 174.62 175.08 1azy s THR 236 N -0.94 0.08 0.05 -0.82 -4.23 -1.17 -4.47 115.64 104.13 1azy s THR 236 Ca 0.15 -1.89 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 1azy s THR 236 Cb -0.10 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 1azy s THR 236 CO 0.05 -0.36 0.09 0.00 -0.54 0.00 0.00 174.62 173.87 1azy s ALA 237 N -4.06 -0.00 0.10 3.99 0.00 -1.04 -1.60 121.76 119.14 1azy s ALA 237 Ca 0.26 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.62 1azy s ALA 237 Cb 0.07 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1azy s ALA 237 CO 0.04 -0.36 -0.15 -0.51 0.00 0.00 0.00 175.76 174.78 1azy s LEU 238 N -2.37 2.34 -0.61 0.00 1.43 0.24 -1.62 118.68 118.09 1azy s LEU 238 Ca -0.01 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.29 1azy s LEU 238 Cb 0.01 -0.55 0.16 0.00 0.03 0.00 0.00 46.19 45.84 1azy s LEU 238 CO -0.07 -0.10 0.48 -0.76 0.23 0.00 0.00 176.35 176.13 1azy s LEU 239 N -2.08 5.80 0.33 1.79 1.43 -1.03 -0.54 118.68 124.38 1azy s LEU 239 Ca 0.04 -2.41 -0.17 0.00 -1.03 0.00 0.00 54.13 50.56 1azy s LEU 239 Cb -0.08 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1azy s LEU 239 CO 0.03 -0.56 0.77 -0.89 0.23 0.00 0.00 176.35 175.93 1azy s THR 240 N 0.61 4.62 0.29 5.49 2.01 -0.74 -0.98 115.64 126.94 1azy s THR 240 Ca 0.12 1.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.92 1azy s THR 240 Cb -0.20 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1azy s THR 240 CO -0.04 -0.15 1.01 -0.62 -0.69 0.00 0.00 174.62 174.13 1azy s ASP 241 N -2.17 7.33 -0.33 3.53 -1.08 0.20 -0.71 116.67 123.44 1azy s ASP 241 Ca 0.54 2.05 0.16 0.00 -0.52 0.00 0.00 52.55 54.78 1azy s ASP 241 Cb -0.11 -2.61 0.45 0.00 -1.46 0.00 0.00 42.92 39.19 1azy s ASP 241 CO 0.17 -0.08 1.22 0.80 0.52 0.00 0.00 175.17 177.80 1azy n MET 242 N 0.98 1.36 -0.19 4.34 1.56 -0.48 -4.81 117.12 119.87 1azy n MET 242 Ca 0.00 -2.54 0.10 0.00 -0.27 0.00 0.00 57.70 54.99 1azy n MET 242 Cb 0.47 -0.70 0.27 0.00 2.15 0.00 0.00 33.22 35.42 1azy n MET 242 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1azy n ASN 243 N -0.65 2.75 -3.57 6.12 3.02 -1.26 -1.34 115.26 120.33 1azy n ASN 243 Ca -0.00 -1.92 -0.02 0.00 -0.03 0.00 0.00 54.58 52.60 1azy n ASN 243 Cb 0.83 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1azy n ASN 243 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1azy s GLN 244 N -1.49 1.12 0.17 3.52 -2.07 -1.26 -4.56 119.66 115.09 1azy s GLN 244 Ca 0.36 -0.67 -0.31 0.00 -1.82 0.00 0.00 55.36 52.92 1azy s GLN 244 Cb 0.20 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 32.37 1azy s GLN 244 CO 0.27 -0.52 1.52 0.08 -1.32 0.00 0.00 175.29 175.32 1azy s VAL 245 N -2.67 2.73 -0.00 3.63 1.01 -1.26 -4.88 120.40 118.96 1azy s VAL 245 Ca 0.17 0.54 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 1azy s VAL 245 Cb -0.01 -3.34 -0.14 0.00 0.00 0.00 0.00 36.38 32.89 1azy s VAL 245 CO 0.03 0.05 1.00 0.25 0.00 0.00 0.00 175.10 176.43 1azy h LEU 246 N 6.46 -0.62-10.76 3.92 5.85 -1.68 -3.45 115.31 115.04 1azy h LEU 246 Ca -0.43 -0.03 -0.45 0.00 0.84 0.00 0.00 57.88 57.81 1azy h LEU 246 Cb 1.21 0.16 0.14 0.00 0.37 0.00 0.00 40.66 42.54 1azy h LEU 246 CO 0.88 -0.22 0.41 0.00 -0.34 0.00 0.00 178.44 179.16 1azy s ALA 247 N -4.64 2.42 -0.79 1.25 0.00 -0.95 -4.01 121.76 115.04 1azy s ALA 247 Ca -0.13 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.85 1azy s ALA 247 Cb 0.01 -2.81 0.32 0.00 0.00 0.00 0.00 23.12 20.65 1azy s ALA 247 CO 0.40 -2.15 1.00 0.43 0.00 0.00 0.00 175.76 175.44 1azy n SER 248 N -3.59 2.78 -3.53 0.00 7.64 -1.26 -4.85 113.62 110.80 1azy n SER 248 Ca 0.13 -2.34 -0.13 0.00 1.01 0.00 0.00 58.87 57.54 1azy n SER 248 Cb 0.60 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 1azy n SER 248 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1azy s SER 249 N -0.35 -0.49 -0.04 6.43 1.04 -1.26 -1.62 113.70 117.41 1azy s SER 249 Ca 0.21 0.42 0.01 0.00 0.48 0.00 0.00 55.95 57.07 1azy s SER 249 Cb 0.16 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1azy s SER 249 CO 0.07 -0.54 -0.02 0.00 0.98 0.00 0.00 173.24 173.72 1azy s ALA 250 N -1.69 0.53 0.00 5.32 0.00 -0.71 -4.50 121.76 120.71 1azy s ALA 250 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1azy s ALA 250 Cb -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1azy s ALA 250 CO 0.02 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1azy n GLY 251 N 4.17 -0.53 1.43 0.00 0.00 -1.26 -0.73 105.19 108.26 1azy n GLY 251 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1azy n GLY 251 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1azy n ASN 252 N 0.00 0.00 -0.15 1.61 3.02 -1.26 -4.75 115.26 113.73 1azy n ASN 252 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1azy n ASN 252 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1azy n ASN 252 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1azy h ALA 253 N 0.00 0.60 0.00 5.41 0.00 -1.73 -2.38 119.26 121.16 1azy h ALA 253 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1azy h ALA 253 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1azy h ALA 253 CO 0.00 0.43 -0.01 -0.39 0.00 0.00 0.00 179.25 179.29 1azy h VAL 254 N 0.65 0.98 0.21 0.00 -1.51 -1.88 -1.32 116.25 113.39 1azy h VAL 254 Ca 0.12 -0.02 -0.31 0.00 -1.23 0.00 0.00 66.70 65.27 1azy h VAL 254 Cb 0.55 1.01 0.03 0.00 -2.13 0.00 0.00 31.29 30.75 1azy h VAL 254 CO 0.03 0.01 -1.40 -0.33 -1.23 0.00 0.00 177.57 174.64 1azy h GLU 255 N 0.00 0.45 -0.06 5.19 5.08 -1.80 -2.67 114.58 120.77 1azy h GLU 255 Ca -0.00 -0.77 -0.04 0.00 -1.00 0.00 0.00 59.36 57.55 1azy h GLU 255 Cb 0.01 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1azy h GLU 255 CO 0.00 1.37 -0.16 0.28 -1.00 0.00 0.00 179.01 179.50 1azy h VAL 256 N 0.01 1.15 -0.21 3.13 2.07 -1.14 -0.27 116.25 120.99 1azy h VAL 256 Ca -0.26 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 1azy h VAL 256 Cb 2.03 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1azy h VAL 256 CO 0.22 0.20 -0.09 -0.09 0.02 0.00 0.00 177.57 177.83 1azy h ARG 257 N 0.08 0.42 -0.96 1.57 2.43 -1.31 -2.65 114.38 113.96 1azy h ARG 257 Ca 0.02 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1azy h ARG 257 Cb 0.33 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1azy h ARG 257 CO 0.02 0.70 0.63 1.49 -1.51 0.00 0.00 179.97 181.31 1azy h GLU 258 N 0.13 1.19 0.00 0.20 4.81 -0.95 -0.77 114.58 119.18 1azy h GLU 258 Ca 0.05 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1azy h GLU 258 Cb 0.57 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1azy h GLU 258 CO 0.03 0.79 -0.23 0.00 -0.73 0.00 0.00 179.01 178.86 1azy h ALA 259 N 1.43 1.22 0.10 2.92 0.00 -0.97 -2.25 119.26 121.71 1azy h ALA 259 Ca 0.38 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1azy h ALA 259 Cb -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1azy h ALA 259 CO -0.11 0.29 -0.58 0.28 0.00 0.00 0.00 179.25 179.13 1azy h VAL 260 N 0.00 1.59 0.00 0.00 2.07 -0.82 -2.75 116.25 116.34 1azy h VAL 260 Ca -0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1azy h VAL 260 Cb 0.56 3.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1azy h VAL 260 CO 0.03 0.69 0.00 1.56 0.02 0.00 0.00 177.57 179.87 1azy h GLN 261 N -0.56 0.00 0.04 1.57 4.20 -1.19 -1.49 115.11 117.68 1azy h GLN 261 Ca -0.10 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1azy h GLN 261 Cb 1.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.24 1azy h GLN 261 CO 0.11 0.00 -0.02 0.35 -0.67 0.00 0.00 178.83 178.60 1azy h PHE 262 N 0.00 -0.05 -0.37 2.96 3.04 -1.30 0.27 116.94 121.48 1azy h PHE 262 Ca 0.00 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.06 1azy h PHE 262 Cb 0.21 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1azy h PHE 262 CO 0.00 0.39 0.34 -0.07 -2.02 0.00 0.00 178.31 176.95 1azy h LEU 263 N -0.98 0.00 -2.72 0.59 3.38 -1.12 -0.14 115.31 114.31 1azy h LEU 263 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1azy h LEU 263 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1azy h LEU 263 CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 1azy n THR 264 N -3.98 0.92 -1.02 0.22 -2.24 -0.61 -4.34 114.28 103.24 1azy n THR 264 Ca 0.06 -0.96 -0.01 0.00 -2.27 0.00 0.00 64.05 60.88 1azy n THR 264 Cb 0.51 0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1azy n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1azy n GLY 265 N 1.05 0.14 0.25 3.38 0.00 -0.07 -4.82 105.19 105.13 1azy n GLY 265 Ca 0.17 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1azy n GLY 265 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1azy h GLU 266 N 0.16 0.00 -1.35 1.61 4.81 -0.78 -3.44 114.58 115.59 1azy h GLU 266 Ca -0.01 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 1azy h GLU 266 Cb 0.85 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.93 1azy h GLU 266 CO 0.02 0.15 0.61 -0.47 -0.73 0.00 0.00 179.01 178.58 1azy s TYR 267 N -4.38 -0.31 -0.15 0.92 5.04 -0.46 -5.03 117.35 112.99 1azy s TYR 267 Ca -0.03 0.71 -0.04 0.00 -2.44 0.00 0.00 57.07 55.26 1azy s TYR 267 Cb 0.14 0.35 0.05 0.00 0.35 0.00 0.00 41.96 42.86 1azy s TYR 267 CO 0.63 -0.15 0.08 1.03 -1.34 0.00 0.00 175.55 175.79 1azy s ARG 268 N 0.51 0.12 0.01 4.97 0.52 -1.26 -2.98 118.95 120.85 1azy s ARG 268 Ca 0.00 -0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 54.87 1azy s ARG 268 Cb -0.04 -1.63 -0.07 0.00 0.52 0.00 0.00 34.95 33.73 1azy s ARG 268 CO -0.11 -0.60 1.58 1.21 0.02 0.00 0.00 175.30 177.39 1azy s ASN 269 N 2.11 6.70 0.37 0.23 3.84 -1.26 -4.91 114.94 122.02 1azy s ASN 269 Ca 0.02 2.30 0.07 0.00 0.21 0.00 0.00 52.86 55.46 1azy s ASN 269 Cb -0.15 -2.55 0.78 0.00 -0.55 0.00 0.00 41.25 38.78 1azy s ASN 269 CO -0.08 -0.85 1.97 1.55 -2.79 0.00 0.00 177.10 176.90 1azy h PRO 270 N 8.51 0.68 -0.04 0.43 0.13 -1.98 0.89 132.00 140.62 1azy h PRO 270 Ca -0.40 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 1azy h PRO 270 Cb 1.19 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 32.18 1azy h PRO 270 CO 0.93 0.45 -0.71 0.00 -0.23 0.00 0.00 178.00 178.44 1azy h ARG 271 N 0.70 0.55 -0.36 0.86 3.08 -1.91 -2.09 114.38 115.21 1azy h ARG 271 Ca 0.30 -0.54 -0.05 0.00 0.07 0.00 0.00 59.98 59.75 1azy h ARG 271 Cb 0.27 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1azy h ARG 271 CO -0.10 1.17 -0.00 1.25 -1.07 0.00 0.00 179.97 181.22 1azy h LEU 272 N 0.13 0.53 -0.25 3.04 5.85 -1.64 -2.56 115.31 120.41 1azy h LEU 272 Ca -0.08 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1azy h LEU 272 Cb 1.39 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1azy h LEU 272 CO 0.14 0.60 0.04 0.15 -0.34 0.00 0.00 178.44 179.04 1azy h PHE 273 N 0.54 0.44 -0.38 1.25 3.57 -0.74 -1.18 116.94 120.44 1azy h PHE 273 Ca 0.11 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1azy h PHE 273 Cb 0.35 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1azy h PHE 273 CO 0.01 0.53 0.23 -0.44 -2.23 0.00 0.00 178.31 176.42 1azy h ASP 274 N 0.23 0.44 -0.52 0.41 3.32 -1.14 0.29 116.42 119.45 1azy h ASP 274 Ca 0.08 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1azy h ASP 274 Cb 0.33 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1azy h ASP 274 CO 0.00 0.35 -0.17 0.58 -1.72 0.00 0.00 179.24 178.28 1azy h VAL 275 N 0.50 1.27 -0.57 -1.35 2.07 -1.45 -0.42 116.25 116.29 1azy h VAL 275 Ca 0.14 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1azy h VAL 275 Cb -0.02 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1azy h VAL 275 CO -0.03 0.47 0.21 0.74 0.02 0.00 0.00 177.57 178.98 1azy h THR 276 N 0.89 1.23 -0.28 2.57 2.02 -0.96 -2.36 112.91 116.02 1azy h THR 276 Ca 0.12 -0.75 -0.18 0.00 0.77 0.00 0.00 66.41 66.38 1azy h THR 276 Cb 0.75 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1azy h THR 276 CO 0.06 0.29 -0.53 -0.03 0.37 0.00 0.00 175.52 175.68 1azy h MET 277 N 0.79 0.83 -0.62 6.66 -1.53 -0.84 -2.91 114.93 117.31 1azy h MET 277 Ca 0.19 -0.51 -0.02 0.00 -3.44 0.00 0.00 59.70 55.92 1azy h MET 277 Cb 0.24 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.31 1azy h MET 277 CO -0.01 1.14 0.31 0.00 0.14 0.00 0.00 176.91 178.49 1azy h ALA 278 N 0.75 1.38 0.02 0.39 0.00 -0.92 -1.78 119.26 119.10 1azy h ALA 278 Ca 0.02 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 1azy h ALA 278 Cb 1.12 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1azy h ALA 278 CO 0.12 0.49 -1.03 -0.07 0.00 0.00 0.00 179.25 178.76 1azy h LEU 279 N 0.86 0.74 -0.43 0.00 3.38 -1.45 -3.21 115.31 115.21 1azy h LEU 279 Ca 0.22 -0.61 -0.15 0.00 0.09 0.00 0.00 57.88 57.42 1azy h LEU 279 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1azy h LEU 279 CO -0.03 1.41 -0.35 0.00 0.09 0.00 0.00 178.44 179.56 1azy h VAL 281 N 0.77 0.96 -0.09 0.00 2.07 -1.41 -0.44 116.25 118.11 1azy h VAL 281 Ca 0.07 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1azy h VAL 281 Cb 0.94 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1azy h VAL 281 CO 0.09 0.15 0.05 -0.33 0.02 0.00 0.00 177.57 177.55 1azy h GLU 282 N 0.81 0.12 -0.89 1.57 4.39 -1.52 -0.29 114.58 118.78 1azy h GLU 282 Ca 0.37 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 1azy h GLU 282 Cb 0.27 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1azy h GLU 282 CO -0.21 0.13 0.55 0.52 -1.16 0.00 0.00 179.01 178.84 1azy h MET 283 N 0.08 1.20 -0.04 2.33 2.86 -1.01 0.27 114.93 120.63 1azy h MET 283 Ca 0.03 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1azy h MET 283 Cb 0.04 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 1azy h MET 283 CO -0.01 0.84 0.01 -0.07 1.06 0.00 0.00 176.91 178.74 1azy h LEU 284 N 1.22 0.05 0.13 1.22 3.38 -0.83 0.16 115.31 120.65 1azy h LEU 284 Ca 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1azy h LEU 284 Cb -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1azy h LEU 284 CO -0.06 0.26 -0.06 0.40 0.09 0.00 0.00 178.44 179.07 1azy h ILE 285 N -0.16 0.90 -0.84 1.22 2.04 -0.68 0.35 117.51 120.34 1azy h ILE 285 Ca 0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1azy h ILE 285 Cb 0.23 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1azy h ILE 285 CO 0.00 0.02 0.47 0.28 0.00 0.00 0.00 178.15 178.92 1azy h SER 286 N -0.22 1.03 0.84 1.72 0.02 -0.47 -1.80 113.55 114.68 1azy h SER 286 Ca -0.02 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1azy h SER 286 Cb 0.17 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1azy h SER 286 CO 0.03 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 1azy n GLY 287 N -1.19 -1.31 1.69 -3.77 0.00 0.56 -4.86 105.19 96.31 1azy n GLY 287 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1azy n GLY 287 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1azy n LYS 288 N -1.87 0.00 0.00 1.61 4.76 -0.21 -4.66 118.16 117.79 1azy n LYS 288 Ca 0.04 0.08 0.14 0.00 -2.87 0.00 0.00 58.31 55.71 1azy n LYS 288 Cb 0.27 -2.70 0.84 0.00 -1.84 0.00 0.00 35.03 31.59 1azy n LYS 288 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1azy n LEU 289 N 0.00 0.00 -3.56 -0.35 4.77 0.11 -4.78 117.00 113.19 1azy n LEU 289 Ca 0.00 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 1azy n LEU 289 Cb 0.00 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1azy n LEU 289 CO 0.00 -0.00 0.41 0.00 -1.33 0.00 0.00 177.39 176.47 1azy s ALA 290 N -2.09 -1.71 -0.07 -1.18 0.00 -1.20 -4.92 121.76 110.59 1azy s ALA 290 Ca 0.41 1.41 0.14 0.00 0.00 0.00 0.00 51.96 53.92 1azy s ALA 290 Cb 0.20 -0.24 -0.16 0.00 0.00 0.00 0.00 23.12 22.93 1azy s ALA 290 CO 0.35 -0.36 0.88 0.87 0.00 0.00 0.00 175.76 177.51 1azy h LYS 291 N 3.47 0.00 -3.54 0.00 6.56 -1.92 -3.40 116.57 117.73 1azy h LYS 291 Ca -0.28 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.27 1azy h LYS 291 Cb 1.15 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.71 1azy h LYS 291 CO 0.32 0.45 -0.09 0.16 -2.06 0.00 0.00 179.45 178.24 1azy s ASP 292 N -6.05 -0.13 0.18 0.86 -4.77 -1.26 -5.06 116.67 100.44 1azy s ASP 292 Ca -0.02 -0.73 -0.15 0.00 -3.30 0.00 0.00 52.55 48.35 1azy s ASP 292 Cb 0.08 0.56 0.16 0.00 -1.09 0.00 0.00 42.92 42.63 1azy s ASP 292 CO 0.81 -1.06 1.66 -0.78 0.70 0.00 0.00 175.17 176.50 1azy h ASP 293 N 2.29 -0.40 -0.42 2.11 1.82 -1.94 -0.96 116.42 118.92 1azy h ASP 293 Ca -0.28 0.14 0.05 0.00 -0.39 0.00 0.00 57.03 56.55 1azy h ASP 293 Cb 1.25 0.28 -0.04 0.00 0.68 0.00 0.00 39.33 41.50 1azy h ASP 293 CO 0.38 -0.14 0.17 0.00 -1.61 0.00 0.00 179.24 178.05 1azy h ALA 294 N 1.48 0.52 -0.08 -0.78 0.00 -1.99 0.19 119.26 118.59 1azy h ALA 294 Ca 0.24 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1azy h ALA 294 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1azy h ALA 294 CO -0.48 -0.21 0.01 1.49 0.00 0.00 0.00 179.25 180.06 1azy h GLU 295 N 0.36 0.04 0.39 0.00 4.81 -1.79 -2.08 114.58 116.30 1azy h GLU 295 Ca 0.19 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1azy h GLU 295 Cb 0.15 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1azy h GLU 295 CO -0.17 0.03 -0.19 0.00 -0.73 0.00 0.00 179.01 177.95 1azy h ALA 296 N 1.06 -0.52 -0.45 2.92 0.00 -0.83 -1.53 119.26 119.91 1azy h ALA 296 Ca 0.04 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1azy h ALA 296 Cb 0.03 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1azy h ALA 296 CO -0.05 -0.76 0.32 0.00 0.00 0.00 0.00 179.25 178.76 1azy h ARG 297 N -0.59 0.12 0.50 0.00 3.08 -0.63 -1.12 114.38 115.74 1azy h ARG 297 Ca -0.05 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1azy h ARG 297 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1azy h ARG 297 CO 0.09 0.08 -0.24 0.00 -1.07 0.00 0.00 179.97 178.82 1azy h ALA 298 N 1.77 -0.67 -0.81 0.04 0.00 -0.98 -1.18 119.26 117.43 1azy h ALA 298 Ca 0.21 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1azy h ALA 298 Cb 0.69 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 1azy h ALA 298 CO -0.02 -0.70 0.44 0.87 0.00 0.00 0.00 179.25 179.83 1azy h LYS 299 N -1.02 0.67 -0.26 0.00 1.57 -0.74 -2.17 116.57 114.63 1azy h LYS 299 Ca -0.07 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1azy h LYS 299 Cb 0.60 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1azy h LYS 299 CO 0.11 0.45 0.01 -0.07 -0.57 0.00 0.00 179.45 179.38 1azy h LEU 300 N 0.70 0.44 -1.94 2.94 3.38 -1.23 -2.39 115.31 117.21 1azy h LEU 300 Ca 0.41 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1azy h LEU 300 Cb 0.47 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1azy h LEU 300 CO -0.29 0.63 -0.10 -0.61 0.09 0.00 0.00 178.44 178.16 1azy h GLN 301 N 0.24 0.00 0.53 1.13 5.75 -0.84 -1.73 115.11 120.19 1azy h GLN 301 Ca 0.07 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1azy h GLN 301 Cb 0.40 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.96 1azy h GLN 301 CO 0.01 0.10 -0.26 0.00 -2.65 0.00 0.00 178.83 176.04 1azy h ALA 302 N 1.90 -0.78 -0.58 3.38 0.00 -1.12 -1.69 119.26 120.38 1azy h ALA 302 Ca -0.00 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.92 1azy h ALA 302 Cb 0.21 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1azy h ALA 302 CO 0.01 -0.72 0.42 0.28 0.00 0.00 0.00 179.25 179.24 1azy h VAL 303 N -1.09 0.68 0.00 0.00 2.07 -1.36 0.40 116.25 116.95 1azy h VAL 303 Ca -0.07 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 1azy h VAL 303 Cb 0.55 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1azy h VAL 303 CO 0.12 0.00 -0.70 0.25 0.02 0.00 0.00 177.57 177.26 1azy h LEU 304 N 0.00 0.00 0.00 2.57 5.85 -1.24 -1.85 115.31 120.64 1azy h LEU 304 Ca 0.28 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.78 1azy h LEU 304 Cb 1.12 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1azy h LEU 304 CO -0.00 0.70 -2.08 0.47 -0.34 0.00 0.00 178.44 177.19 1azy n ASP 305 N -3.45 0.16 -0.68 1.25 8.00 0.10 -4.31 116.55 117.62 1azy n ASP 305 Ca 0.00 0.07 0.06 0.00 0.71 0.00 0.00 54.79 55.63 1azy n ASP 305 Cb 0.75 1.16 0.16 0.00 -0.02 0.00 0.00 41.12 43.18 1azy n ASP 305 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1azy n ASN 306 N -2.62 1.97 0.00 -2.24 6.94 0.97 -4.91 115.26 115.36 1azy n ASN 306 Ca -0.19 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 1azy n ASN 306 Cb 0.91 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 1azy n ASN 306 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1azy n GLY 307 N 1.07 1.90 0.29 4.83 0.00 -1.25 -4.86 105.19 107.17 1azy n GLY 307 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1azy n GLY 307 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1azy h LYS 308 N 1.65 0.06 0.35 1.61 1.63 -1.88 -2.23 116.57 117.76 1azy h LYS 308 Ca 0.00 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1azy h LYS 308 Cb 0.00 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1azy h LYS 308 CO 0.00 0.04 -0.17 0.00 -3.45 0.00 0.00 179.45 175.87 1azy h ALA 309 N 1.93 -0.46 -0.16 5.00 0.00 -1.67 -2.85 119.26 121.04 1azy h ALA 309 Ca 0.06 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1azy h ALA 309 Cb 0.18 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1azy h ALA 309 CO -0.01 -0.55 0.14 0.00 0.00 0.00 0.00 179.25 178.83 1azy h ALA 310 N -0.46 1.96 -0.33 0.00 0.00 -1.72 -0.87 119.26 117.83 1azy h ALA 310 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1azy h ALA 310 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1azy h ALA 310 CO 0.08 -0.23 0.08 1.49 0.00 0.00 0.00 179.25 180.67 1azy h GLU 311 N 0.00 0.53 -0.72 0.00 4.81 -1.32 -0.83 114.58 117.06 1azy h GLU 311 Ca 0.08 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1azy h GLU 311 Cb 0.36 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1azy h GLU 311 CO -0.00 0.59 0.21 0.28 -0.73 0.00 0.00 179.01 179.36 1azy h VAL 312 N 0.38 1.26 -0.43 0.32 2.07 -0.93 -0.21 116.25 118.70 1azy h VAL 312 Ca 0.11 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1azy h VAL 312 Cb 0.29 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1azy h VAL 312 CO 0.00 0.36 0.29 0.15 0.02 0.00 0.00 177.57 178.38 1azy h PHE 313 N 1.07 0.55 -0.42 1.57 3.57 -1.20 0.33 116.94 122.41 1azy h PHE 313 Ca 0.23 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1azy h PHE 313 Cb 0.32 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1azy h PHE 313 CO 0.03 0.35 0.16 0.78 -2.23 0.00 0.00 178.31 177.39 1azy h GLY 314 N 0.59 0.65 2.00 2.40 0.00 -0.45 -1.03 103.07 107.23 1azy h GLY 314 Ca 0.16 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1azy h GLY 314 CO -0.03 0.30 -0.73 3.21 0.00 0.00 0.00 176.54 179.28 1azy h ARG 315 N 0.60 0.00 -0.06 4.80 3.08 -0.30 -2.80 114.38 119.70 1azy h ARG 315 Ca 0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1azy h ARG 315 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1azy h ARG 315 CO -0.01 0.73 -0.10 1.98 -1.07 0.00 0.00 179.97 181.50 1azy h MET 316 N 0.00 0.17 -0.80 0.04 4.05 -0.36 -2.49 114.93 115.54 1azy h MET 316 Ca -0.01 -0.10 0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1azy h MET 316 Cb 1.41 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.17 1azy h MET 316 CO 0.09 0.67 0.52 0.28 0.23 0.00 0.00 176.91 178.70 1azy h VAL 317 N -0.31 1.14 -0.24 -5.77 2.07 -1.26 -2.35 116.25 109.53 1azy h VAL 317 Ca 0.00 -0.35 -0.17 0.00 0.82 0.00 0.00 66.70 67.01 1azy h VAL 317 Cb 0.65 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1azy h VAL 317 CO 0.02 0.19 -0.52 0.00 0.02 0.00 0.00 177.57 177.28 1azy h ALA 318 N 1.33 0.63 0.00 1.67 0.00 -1.54 0.57 119.26 121.92 1azy h ALA 318 Ca 0.31 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1azy h ALA 318 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1azy h ALA 318 CO -0.10 0.68 -0.09 0.00 0.00 0.00 0.00 179.25 179.74 1azy h ALA 319 N 0.88 1.04 -0.74 0.00 0.00 -1.21 -2.54 119.26 116.68 1azy h ALA 319 Ca 0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 1azy h ALA 319 Cb 1.08 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.66 1azy h ALA 319 CO 0.11 0.11 0.35 1.04 0.00 0.00 0.00 179.25 180.85 1azy n GLN 320 N -3.25 2.60 -1.15 0.00 6.02 -0.91 -4.94 117.38 115.76 1azy n GLN 320 Ca -0.00 -3.07 -0.05 0.00 -0.01 0.00 0.00 57.00 53.87 1azy n GLN 320 Cb 0.33 -2.09 -0.02 0.00 1.02 0.00 0.00 30.24 29.47 1azy n GLN 320 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1azy n LYS 321 N -0.84 -0.55 -2.32 -1.09 4.01 -0.96 0.15 118.16 116.56 1azy n LYS 321 Ca 0.47 0.59 -0.22 0.00 -0.51 0.00 0.00 58.31 58.63 1azy n LYS 321 Cb 1.41 -4.31 0.12 0.00 -0.51 0.00 0.00 35.03 31.75 1azy n LYS 321 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1azy n GLY 322 N -1.97 0.36 3.75 0.72 0.00 0.20 -4.05 105.19 104.19 1azy n GLY 322 Ca -0.05 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1azy n GLY 322 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1azy s PRO 323 N -5.00 3.09 0.00 1.61 0.02 -1.26 -4.29 135.00 129.17 1azy s PRO 323 Ca 0.62 2.12 0.31 0.00 0.02 0.00 0.00 61.00 64.07 1azy s PRO 323 Cb -0.03 -2.17 1.61 0.00 0.02 0.00 0.00 34.50 33.93 1azy s PRO 323 CO 0.42 -1.19 2.09 0.25 -0.33 0.00 0.00 177.00 178.24 1azy n THR 324 N -1.17 0.00 -2.52 0.99 -2.24 -1.26 -3.45 114.28 104.64 1azy n THR 324 Ca 0.11 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1azy n THR 324 Cb 0.46 -0.47 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1azy n THR 324 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1azy n ASP 325 N -1.18 2.99 -0.11 3.42 5.75 -1.26 -4.89 116.55 121.26 1azy n ASP 325 Ca 0.17 -2.93 -0.13 0.00 -0.01 0.00 0.00 54.79 51.89 1azy n ASP 325 Cb 0.21 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 1azy n ASP 325 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1azy h PHE 326 N 2.57 1.04 -0.48 2.11 3.57 -1.89 -2.47 116.94 121.40 1azy h PHE 326 Ca 0.08 -0.32 -0.10 0.00 3.53 0.00 0.00 57.97 61.17 1azy h PHE 326 Cb 1.26 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1azy h PHE 326 CO 0.65 1.12 -0.09 0.28 -2.23 0.00 0.00 178.31 178.04 1azy h VAL 327 N 0.66 1.27 -0.10 1.41 2.07 -1.90 -0.76 116.25 118.90 1azy h VAL 327 Ca 0.05 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 1azy h VAL 327 Cb 0.95 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1azy h VAL 327 CO 0.09 0.42 -0.32 -0.08 0.02 0.00 0.00 177.57 177.70 1azy h GLU 328 N 0.75 0.40 -1.45 1.57 4.81 -1.96 -3.37 114.58 115.33 1azy h GLU 328 Ca 0.12 -0.29 -0.59 0.00 -0.13 0.00 0.00 59.36 58.47 1azy h GLU 328 Cb 0.63 0.05 -0.42 0.00 0.63 0.00 0.00 28.75 29.64 1azy h GLU 328 CO 0.04 0.91 -0.71 0.09 -0.73 0.00 0.00 179.01 178.61 1azy n ASN 329 N -4.40 4.78 0.22 1.04 4.13 -0.93 -4.86 115.26 115.24 1azy n ASN 329 Ca -0.08 -3.72 0.05 0.00 1.68 0.00 0.00 54.58 52.51 1azy n ASN 329 Cb 0.49 -0.46 0.48 0.00 -1.54 0.00 0.00 39.78 38.75 1azy n ASN 329 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 1azy h TYR 330 N 2.54 0.00 0.00 3.10 -0.00 -1.31 -3.03 116.97 118.28 1azy h TYR 330 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.04 1azy h TYR 330 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.70 1azy h TYR 330 CO 0.83 0.21 0.00 0.00 -0.00 0.00 0.00 178.16 179.20 1azy h ALA 331 N 1.79 1.00 0.00 0.10 0.00 -1.89 -1.55 119.26 118.70 1azy h ALA 331 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1azy h ALA 331 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1azy h ALA 331 CO 0.03 0.00 -1.33 1.63 0.00 0.00 0.00 179.25 179.57 1azy n LYS 332 N -2.58 0.37 -0.08 0.00 4.76 -1.14 -4.52 118.16 114.96 1azy n LYS 332 Ca -0.02 -0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.20 1azy n LYS 332 Cb 0.07 -1.57 -0.13 0.00 -1.84 0.00 0.00 35.03 31.57 1azy n LYS 332 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1azy n TYR 333 N -2.01 0.38 -2.61 2.13 4.01 -0.64 -4.97 117.16 113.45 1azy n TYR 333 Ca 0.00 0.09 -0.40 0.00 -0.16 0.00 0.00 57.90 57.43 1azy n TYR 333 Cb 0.47 -1.05 -0.05 0.00 -0.31 0.00 0.00 39.34 38.39 1azy n TYR 333 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1azy s LEU 334 N -6.43 4.59 0.20 7.72 1.43 -0.89 -4.55 118.68 120.75 1azy s LEU 334 Ca -0.25 2.11 -0.31 0.00 -1.03 0.00 0.00 54.13 54.64 1azy s LEU 334 Cb 0.08 -3.64 -0.11 0.00 0.03 0.00 0.00 46.19 42.56 1azy s LEU 334 CO 0.70 -0.00 1.57 -2.84 0.23 0.00 0.00 176.35 176.01 1azy s PRO 335 N -1.35 4.20 -0.14 1.29 0.02 -1.26 -4.97 135.00 132.79 1azy s PRO 335 Ca 0.43 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.86 1azy s PRO 335 Cb -0.29 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 1azy s PRO 335 CO 0.36 -0.60 -0.12 0.95 -0.33 0.00 0.00 177.00 177.27 1azy s THR 336 N 0.79 3.17 0.89 0.99 -4.23 -1.26 -4.61 115.64 111.38 1azy s THR 336 Ca 0.68 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 1azy s THR 336 Cb -0.45 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.17 1azy s THR 336 CO 0.36 0.52 1.09 0.00 -0.54 0.00 0.00 174.62 176.05 1azy s ALA 337 N 0.40 1.57 0.06 3.99 0.00 -1.26 -4.98 121.76 121.53 1azy s ALA 337 Ca -0.09 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 1azy s ALA 337 Cb -0.16 -3.24 -0.20 0.00 0.00 0.00 0.00 23.12 19.53 1azy s ALA 337 CO 0.05 -2.35 1.21 0.52 0.00 0.00 0.00 175.76 175.19 1azy h MET 338 N -1.55 0.60 -5.29 0.00 2.86 -1.72 -3.45 114.93 106.39 1azy h MET 338 Ca -0.48 -0.56 -0.67 0.00 -2.06 0.00 0.00 59.70 55.93 1azy h MET 338 Cb 1.27 0.14 -0.30 0.00 0.06 0.00 0.00 31.60 32.76 1azy h MET 338 CO 0.52 1.17 -0.82 -1.17 1.06 0.00 0.00 176.91 177.67 1azy s LEU 339 N -8.39 2.38 -0.28 1.22 2.96 0.02 -5.02 118.68 111.56 1azy s LEU 339 Ca -0.12 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1azy s LEU 339 Cb 0.06 -1.51 0.09 0.00 0.50 0.00 0.00 46.19 45.33 1azy s LEU 339 CO 0.87 0.14 0.10 -0.89 -1.32 0.00 0.00 176.35 175.24 1azy s THR 340 N 0.50 0.46 0.08 3.68 2.01 -1.25 0.11 115.64 121.22 1azy s THR 340 Ca -0.12 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 60.90 1azy s THR 340 Cb -0.16 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1azy s THR 340 CO 0.05 -0.63 -0.14 -0.54 -0.69 0.00 0.00 174.62 172.67 1azy s LYS 341 N 1.84 0.84 0.19 4.92 1.02 -0.35 -4.93 119.74 123.26 1azy s LYS 341 Ca 0.08 -0.98 -0.18 0.00 0.02 0.00 0.00 55.97 54.91 1azy s LYS 341 Cb -0.17 -0.83 -0.08 0.00 -0.52 0.00 0.00 37.83 36.23 1azy s LYS 341 CO -0.27 0.18 0.65 0.00 -0.92 0.00 0.00 175.35 174.99 1azy s ALA 342 N -1.35 3.49 -0.09 5.17 0.00 -1.26 0.55 121.76 128.26 1azy s ALA 342 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1azy s ALA 342 Cb -0.10 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1azy s ALA 342 CO 0.02 0.38 -0.06 0.14 0.00 0.00 0.00 175.76 176.24 1azy s VAL 343 N -1.48 3.73 0.06 0.00 -7.23 -0.35 -4.90 120.40 110.22 1azy s VAL 343 Ca 0.40 -0.45 0.07 0.00 -1.81 0.00 0.00 61.98 60.19 1azy s VAL 343 Cb -0.16 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1azy s VAL 343 CO 0.20 0.57 -0.15 -0.31 -0.31 0.00 0.00 175.10 175.10 1azy s TYR 344 N -0.44 2.63 0.65 2.82 1.51 -1.26 0.34 117.35 123.59 1azy s TYR 344 Ca 0.07 -0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 55.78 1azy s TYR 344 Cb -0.12 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1azy s TYR 344 CO 0.02 0.32 1.06 0.00 -1.11 0.00 0.00 175.55 175.84 1azy s ALA 345 N -1.01 2.67 0.58 3.71 0.00 -1.26 -4.91 121.76 121.54 1azy s ALA 345 Ca 0.16 0.28 0.28 0.00 0.00 0.00 0.00 51.96 52.68 1azy s ALA 345 Cb -0.11 -3.22 1.70 0.00 0.00 0.00 0.00 23.12 21.50 1azy s ALA 345 CO 0.08 -1.06 2.20 -0.44 0.00 0.00 0.00 175.76 176.53 1azy h ASP 346 N -0.12 0.00 -5.39 0.00 3.32 -1.99 -3.45 116.42 108.79 1azy h ASP 346 Ca -0.45 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.43 1azy h ASP 346 Cb 1.22 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.63 1azy h ASP 346 CO 0.57 0.00 -0.55 0.42 -1.72 0.00 0.00 179.24 177.96 1azy s THR 347 N -4.70 0.08 0.44 0.35 -4.23 -1.26 -5.15 115.64 101.18 1azy s THR 347 Ca -0.05 -1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 58.48 1azy s THR 347 Cb 0.15 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.88 1azy s THR 347 CO 0.57 -0.38 1.03 -1.61 -0.54 0.00 0.00 174.62 173.68 1azy s GLU 348 N -4.03 4.02 0.00 3.99 2.02 -1.26 -4.75 118.70 118.69 1azy s GLU 348 Ca 0.23 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.61 1azy s GLU 348 Cb 0.06 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1azy s GLU 348 CO 0.02 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.47 1azy n GLY 349 N -0.03 -0.98 3.37 -1.39 0.00 -0.96 -4.95 105.19 100.25 1azy n GLY 349 Ca 0.07 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1azy n GLY 349 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1azy s PHE 350 N -3.00 2.74 -0.14 1.61 0.40 -0.26 0.27 117.98 119.59 1azy s PHE 350 Ca 0.00 -0.60 -0.29 0.00 -0.60 0.00 0.00 56.93 55.44 1azy s PHE 350 Cb 0.00 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.71 1azy s PHE 350 CO 0.00 -0.16 1.86 0.08 0.70 0.00 0.00 175.22 177.70 1azy s VAL 351 N 0.11 3.34 -0.04 -0.44 1.01 -0.81 -0.84 120.40 122.72 1azy s VAL 351 Ca -0.07 0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.38 1azy s VAL 351 Cb -0.15 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.77 1azy s VAL 351 CO 0.05 -0.13 0.13 -1.54 0.00 0.00 0.00 175.10 173.61 1azy n SER 352 N 8.93 2.94 -4.07 3.32 3.41 0.09 -0.74 113.62 127.49 1azy n SER 352 Ca 0.22 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.75 1azy n SER 352 Cb 0.44 1.11 -0.09 0.00 -0.26 0.00 0.00 64.21 65.41 1azy n SER 352 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1azy s GLU 353 N -2.45 0.75 -0.29 4.33 2.12 -0.46 -4.91 118.70 117.80 1azy s GLU 353 Ca -0.04 -1.24 -0.15 0.00 0.36 0.00 0.00 54.97 53.90 1azy s GLU 353 Cb 0.04 0.24 0.14 0.00 0.26 0.00 0.00 34.13 34.82 1azy s GLU 353 CO 0.36 -0.19 0.89 1.41 -0.54 0.00 0.00 175.26 177.19 1azy s MET 354 N -3.95 0.43 -0.67 4.30 -2.45 -1.26 -0.50 119.30 115.20 1azy s MET 354 Ca 0.12 0.90 -0.19 0.00 -1.25 0.00 0.00 55.69 55.26 1azy s MET 354 Cb 0.07 0.35 0.11 0.00 1.25 0.00 0.00 34.83 36.61 1azy s MET 354 CO -0.06 -0.12 0.82 0.34 1.05 0.00 0.00 175.02 177.05 1azy s ASP 355 N 2.03 6.28 0.14 1.11 2.15 -0.13 -4.70 116.67 123.55 1azy s ASP 355 Ca -0.06 -1.51 -0.21 0.00 0.43 0.00 0.00 52.55 51.19 1azy s ASP 355 Cb -0.06 -2.33 -0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1azy s ASP 355 CO -0.17 -1.14 1.67 0.71 -0.17 0.00 0.00 175.17 176.07 1azy h THR 356 N 5.85 0.60 -0.92 1.71 1.35 -1.89 -1.11 112.91 118.50 1azy h THR 356 Ca -0.21 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.82 1azy h THR 356 Cb 1.07 0.60 -0.08 0.00 -1.73 0.00 0.00 68.15 68.01 1azy h THR 356 CO 1.10 0.00 0.59 0.03 -0.25 0.00 0.00 175.52 176.99 1azy h ARG 357 N -0.15 0.61 0.07 4.72 3.08 -1.91 0.36 114.38 121.16 1azy h ARG 357 Ca 0.11 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1azy h ARG 357 Cb 0.31 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1azy h ARG 357 CO -0.27 0.40 -0.03 0.00 -1.07 0.00 0.00 179.97 179.00 1azy h ALA 358 N 1.61 -0.09 -0.54 0.04 0.00 -1.64 0.57 119.26 119.21 1azy h ALA 358 Ca 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1azy h ALA 358 Cb 0.88 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1azy h ALA 358 CO -0.23 -0.45 0.24 -0.07 0.00 0.00 0.00 179.25 178.74 1azy h LEU 359 N -0.30 0.69 -0.22 0.00 3.38 -0.59 0.12 115.31 118.39 1azy h LEU 359 Ca -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1azy h LEU 359 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1azy h LEU 359 CO 0.02 0.60 0.12 1.23 0.09 0.00 0.00 178.44 180.50 1azy h GLY 360 N 0.88 0.33 2.00 0.83 0.00 0.07 -2.04 103.07 105.15 1azy h GLY 360 Ca 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1azy h GLY 360 CO -0.02 0.15 -0.16 -0.33 0.00 0.00 0.00 176.54 176.17 1azy h MET 361 N 0.25 0.00 -0.33 4.80 2.86 -0.29 -2.83 114.93 119.39 1azy h MET 361 Ca 0.08 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 1azy h MET 361 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1azy h MET 361 CO -0.01 0.16 -0.28 0.00 1.06 0.00 0.00 176.91 177.84 1azy h ALA 362 N 1.84 0.88 0.14 6.32 0.00 -0.19 -1.41 119.26 126.84 1azy h ALA 362 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1azy h ALA 362 Cb 0.77 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1azy h ALA 362 CO 0.02 0.63 -0.07 0.28 0.00 0.00 0.00 179.25 180.11 1azy h VAL 363 N 0.59 1.01 -0.22 0.00 2.07 -1.15 -2.70 116.25 115.85 1azy h VAL 363 Ca 0.07 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1azy h VAL 363 Cb 0.79 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1azy h VAL 363 CO 0.06 0.17 -0.09 0.58 0.02 0.00 0.00 177.57 178.31 1azy h VAL 364 N -0.55 0.69 -0.03 2.57 2.07 -1.48 0.26 116.25 119.78 1azy h VAL 364 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1azy h VAL 364 Cb 0.43 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1azy h VAL 364 CO 0.03 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.69 1azy h ALA 365 N 1.13 1.31 -0.65 1.67 0.00 -1.28 0.11 119.26 121.56 1azy h ALA 365 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1azy h ALA 365 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1azy h ALA 365 CO -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 178.91 1azy n MET 366 N -3.40 3.48 0.00 0.00 0.00 -0.44 -4.89 117.12 111.87 1azy n MET 366 Ca -0.02 -2.75 0.00 0.00 0.00 0.00 0.00 57.70 54.93 1azy n MET 366 Cb 0.14 -1.82 0.00 0.00 0.00 0.00 0.00 33.22 31.54 1azy n MET 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1azy n GLY 367 N 1.23 0.55 0.00 3.17 0.00 0.02 -4.87 105.19 105.30 1azy n GLY 367 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1azy n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1azy n GLY 368 N -1.40 -0.76 0.00 -0.02 0.00 0.78 -1.19 105.19 102.59 1azy n GLY 368 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1azy n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1azy n GLY 369 N -0.26 1.66 3.12 -0.02 0.00 -1.24 -4.68 105.19 103.76 1azy n GLY 369 Ca 0.05 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1azy n GLY 369 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1azy s ARG 370 N -1.98 1.81 -0.01 1.61 1.70 -1.26 -4.68 118.95 116.14 1azy s ARG 370 Ca 0.00 -0.58 0.12 0.00 -0.47 0.00 0.00 55.73 54.80 1azy s ARG 370 Cb 0.00 -1.54 -0.22 0.00 -0.57 0.00 0.00 34.95 32.62 1azy s ARG 370 CO 0.00 0.20 0.79 0.00 -1.08 0.00 0.00 175.30 175.21 1azy h ARG 371 N 6.39 0.00 0.00 3.89 3.08 -1.92 -3.39 114.38 122.43 1azy h ARG 371 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1azy h ARG 371 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1azy h ARG 371 CO 0.48 0.57 0.00 1.04 -1.07 0.00 0.00 179.97 180.99 1azy n GLN 372 N -3.09 0.00 0.00 0.04 1.13 -1.26 -4.82 117.38 109.38 1azy n GLN 372 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1azy n GLN 372 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.37 1azy n GLN 372 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1azy n ALA 373 N -2.72 0.00 0.26 -1.58 0.00 -1.26 -4.92 120.51 110.29 1azy n ALA 373 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1azy n ALA 373 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1azy n ALA 373 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1azy n SER 374 N -0.93 0.24 -4.77 0.00 3.41 -1.26 -4.71 113.62 105.60 1azy n SER 374 Ca 0.00 0.58 -0.36 0.00 -0.26 0.00 0.00 58.87 58.84 1azy n SER 374 Cb 0.00 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.33 1azy n SER 374 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1azy s ASP 375 N -3.44 5.70 -0.26 4.04 1.11 -1.26 -5.01 116.67 117.54 1azy s ASP 375 Ca 0.03 2.25 0.03 0.00 0.18 0.00 0.00 52.55 55.03 1azy s ASP 375 Cb 0.06 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.52 1azy s ASP 375 CO 0.20 -1.24 -0.08 0.42 1.18 0.00 0.00 175.17 175.65 1azy s THR 376 N -1.68 2.03 0.18 -1.27 -4.23 -1.26 -4.91 115.64 104.48 1azy s THR 376 Ca 0.72 -1.63 -0.33 0.00 -1.18 0.00 0.00 61.69 59.27 1azy s THR 376 Cb -0.26 -2.21 -0.14 0.00 1.34 0.00 0.00 72.50 71.22 1azy s THR 376 CO 0.30 -0.12 1.44 -0.38 -0.54 0.00 0.00 174.62 175.32 1azy n ILE 377 N 4.47 0.43 -2.98 2.99 5.41 -1.26 -4.93 119.36 123.48 1azy n ILE 377 Ca -0.11 -0.11 -0.44 0.00 1.00 0.00 0.00 62.75 63.09 1azy n ILE 377 Cb 0.42 -1.35 -0.04 0.00 -0.71 0.00 0.00 39.64 37.97 1azy n ILE 377 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1azy s ASP 378 N 0.54 6.33 0.00 4.38 2.15 -0.33 -4.90 116.67 124.84 1azy s ASP 378 Ca 0.75 -1.52 0.00 0.00 0.43 0.00 0.00 52.55 52.21 1azy s ASP 378 Cb -0.72 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 39.53 1azy s ASP 378 CO 0.45 -1.19 0.15 -1.22 -0.17 0.00 0.00 175.17 173.19 1azy n TYR 379 N 6.75 0.00 0.01 -5.34 4.01 -1.26 -2.60 117.16 118.72 1azy n TYR 379 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1azy n TYR 379 Cb 0.46 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1azy n TYR 379 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1azy n SER 380 N -0.06 2.38 -4.83 7.72 3.41 -1.26 -2.40 113.62 118.57 1azy n SER 380 Ca 0.00 -0.26 -0.33 0.00 -0.26 0.00 0.00 58.87 58.02 1azy n SER 380 Cb 0.02 1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.92 1azy n SER 380 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1azy s VAL 381 N -1.51 4.50 -5.00 -3.33 1.01 -1.07 -4.29 120.40 110.70 1azy s VAL 381 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1azy s VAL 381 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1azy s VAL 381 CO 0.01 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1azy n GLY 382 N -0.50 -0.86 3.62 4.51 0.00 -0.91 -4.18 105.19 106.88 1azy n GLY 382 Ca 0.05 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1azy n GLY 382 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1azy s PHE 383 N -2.40 2.82 0.12 1.61 0.08 0.09 -1.59 117.98 118.71 1azy s PHE 383 Ca 0.00 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 1azy s PHE 383 Cb 0.00 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 1azy s PHE 383 CO 0.00 0.46 0.27 0.95 -0.10 0.00 0.00 175.22 176.81 1azy s THR 384 N -1.37 0.10 -1.42 0.64 -4.23 -0.73 -1.74 115.64 106.89 1azy s THR 384 Ca 0.24 -1.12 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 1azy s THR 384 Cb -0.11 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.27 1azy s THR 384 CO 0.16 -0.46 1.03 0.47 -0.54 0.00 0.00 174.62 175.28 1azy n ASP 385 N -0.15 -6.30 -4.77 3.99 9.92 -0.64 0.54 116.55 119.15 1azy n ASP 385 Ca -0.13 -0.48 -0.41 0.00 -0.53 0.00 0.00 54.79 53.24 1azy n ASP 385 Cb 0.63 -4.99 -0.01 0.00 -0.64 0.00 0.00 41.12 36.11 1azy n ASP 385 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1azy s MET 386 N -6.17 4.16 0.34 -1.24 -1.94 -0.97 -4.16 119.30 109.31 1azy s MET 386 Ca 0.52 2.51 -0.27 0.00 -1.71 0.00 0.00 55.69 56.74 1azy s MET 386 Cb -0.23 -3.01 -0.09 0.00 2.01 0.00 0.00 34.83 33.51 1azy s MET 386 CO 0.64 -0.51 1.06 0.00 -0.01 0.00 0.00 175.02 176.20 1azy s ALA 387 N -0.68 3.23 0.10 3.03 0.00 0.44 -4.95 121.76 122.94 1azy s ALA 387 Ca 0.56 0.78 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1azy s ALA 387 Cb -0.46 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1azy s ALA 387 CO 0.55 -0.17 0.13 1.03 0.00 0.00 0.00 175.76 177.31 1azy s ARG 388 N -1.99 3.02 0.17 0.00 0.52 -1.26 -4.93 118.95 114.48 1azy s ARG 388 Ca 0.51 -0.68 -0.33 0.00 -0.52 0.00 0.00 55.73 54.70 1azy s ARG 388 Cb -0.26 -2.78 -0.13 0.00 0.52 0.00 0.00 34.95 32.30 1azy s ARG 388 CO 0.33 0.55 1.61 1.28 0.02 0.00 0.00 175.30 179.09 1azy n LEU 389 N 0.17 3.30 0.00 2.53 4.77 -1.26 -1.15 117.00 125.36 1azy n LEU 389 Ca -0.08 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 1azy n LEU 389 Cb 0.52 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1azy n LEU 389 CO 0.45 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1azy n GLY 390 N 3.51 2.91 3.75 -0.72 0.00 0.08 -4.98 105.19 109.74 1azy n GLY 390 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1azy n GLY 390 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1azy s ASP 391 N -1.29 6.76 0.09 1.61 1.11 -0.30 -4.67 116.67 119.98 1azy s ASP 391 Ca 0.00 2.58 -0.24 0.00 0.18 0.00 0.00 52.55 55.07 1azy s ASP 391 Cb 0.00 -2.62 -0.07 0.00 1.07 0.00 0.00 42.92 41.30 1azy s ASP 391 CO 0.00 -0.62 0.73 -1.58 1.18 0.00 0.00 175.17 174.88 1azy s GLN 392 N -0.48 4.47 0.18 8.23 0.74 -1.26 -1.93 119.66 129.62 1azy s GLN 392 Ca 0.57 1.03 0.11 0.00 0.05 0.00 0.00 55.36 57.12 1azy s GLN 392 Cb -0.40 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1azy s GLN 392 CO 0.43 0.44 -0.23 0.14 -0.55 0.00 0.00 175.29 175.52 1azy s VAL 393 N -0.60 2.27 -0.90 1.34 -7.23 0.14 -4.79 120.40 110.63 1azy s VAL 393 Ca 0.36 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1azy s VAL 393 Cb -0.21 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1azy s VAL 393 CO 0.23 -0.13 0.00 -0.90 -0.31 0.00 0.00 175.10 173.99 1azy n ASP 394 N 0.32 0.00 0.15 4.85 5.75 -1.08 -2.26 116.55 124.28 1azy n ASP 394 Ca -0.13 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.73 1azy n ASP 394 Cb 0.56 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 41.09 1azy n ASP 394 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1azy n GLY 395 N 0.00 -0.72 0.09 6.12 0.00 -1.26 -0.44 105.19 108.97 1azy n GLY 395 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1azy n GLY 395 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1azy n GLN 396 N -2.10 0.64 -3.75 1.61 6.02 -1.26 -4.81 117.38 113.73 1azy n GLN 396 Ca -0.01 0.22 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 1azy n GLN 396 Cb 0.16 -1.75 -0.16 0.00 1.02 0.00 0.00 30.24 29.51 1azy n GLN 396 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1azy s ARG 397 N -2.67 0.76 0.92 -1.09 3.52 0.41 -5.13 118.95 115.67 1azy s ARG 397 Ca -0.05 -0.74 -0.12 0.00 -0.13 0.00 0.00 55.73 54.69 1azy s ARG 397 Cb 0.08 -2.08 0.14 0.00 -1.56 0.00 0.00 34.95 31.53 1azy s ARG 397 CO 0.82 -0.79 1.13 -1.25 -0.81 0.00 0.00 175.30 174.40 1azy s PRO 398 N 1.73 1.10 0.12 5.12 0.04 -1.26 -2.63 135.00 139.21 1azy s PRO 398 Ca 0.03 0.37 -0.08 0.00 0.04 0.00 0.00 61.00 61.36 1azy s PRO 398 Cb -0.17 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1azy s PRO 398 CO -0.16 -2.24 1.30 -0.07 0.04 0.00 0.00 177.00 175.88 1azy h LEU 399 N -1.53 0.69 -7.75 -3.56 3.38 -0.45 -3.43 115.31 102.66 1azy h LEU 399 Ca -0.51 -0.51 0.17 0.00 0.09 0.00 0.00 57.88 57.12 1azy h LEU 399 Cb 1.33 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1azy h LEU 399 CO 0.61 1.30 0.51 0.00 0.09 0.00 0.00 178.44 180.95 1azy s ALA 400 N -3.44 -1.60 -0.24 1.53 0.00 -1.23 -0.42 121.76 116.35 1azy s ALA 400 Ca -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 1azy s ALA 400 Cb 0.09 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.91 1azy s ALA 400 CO 0.88 -1.05 -0.09 0.08 0.00 0.00 0.00 175.76 175.59 1azy s VAL 401 N -2.94 2.63 -0.20 0.00 1.01 0.19 -1.21 120.40 119.88 1azy s VAL 401 Ca 0.15 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 1azy s VAL 401 Cb -0.02 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1azy s VAL 401 CO 0.03 0.19 0.47 -0.63 0.00 0.00 0.00 175.10 175.16 1azy s ILE 402 N 1.27 5.14 -0.58 2.22 1.01 0.19 -1.78 121.20 128.68 1azy s ILE 402 Ca -0.01 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.35 1azy s ILE 402 Cb -0.17 -3.80 0.14 0.00 0.01 0.00 0.00 42.46 38.65 1azy s ILE 402 CO -0.06 0.21 0.52 -1.00 0.00 0.00 0.00 174.94 174.61 1azy s HIS 403 N 1.50 3.36 0.41 3.97 3.76 -0.62 -1.21 115.29 126.47 1azy s HIS 403 Ca 0.22 -1.50 0.07 0.00 -0.15 0.00 0.00 55.06 53.70 1azy s HIS 403 Cb -0.15 -3.76 -0.06 0.00 1.11 0.00 0.00 32.58 29.73 1azy s HIS 403 CO 0.09 -1.01 0.16 0.00 -0.85 0.00 0.00 174.74 173.13 1azy s ALA 404 N 1.31 3.54 -0.08 -1.40 0.00 0.30 -2.14 121.76 123.28 1azy s ALA 404 Ca 0.06 -2.14 -0.20 0.00 0.00 0.00 0.00 51.96 49.68 1azy s ALA 404 Cb -0.26 -0.32 -0.16 0.00 0.00 0.00 0.00 23.12 22.38 1azy s ALA 404 CO 0.00 -0.16 0.74 0.87 0.00 0.00 0.00 175.76 177.21 1azy h LYS 405 N 1.46 -0.11 -4.93 0.00 1.57 -1.89 0.10 116.57 112.77 1azy h LYS 405 Ca -0.43 0.01 -0.42 0.00 -1.87 0.00 0.00 60.65 57.94 1azy h LYS 405 Cb 1.25 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.45 1azy h LYS 405 CO 0.71 0.41 -0.57 0.16 -0.57 0.00 0.00 179.45 179.59 1azy s ASP 406 N -5.69 1.66 0.62 0.86 1.47 -1.26 -3.84 116.67 110.49 1azy s ASP 406 Ca -0.13 -1.50 0.41 0.00 1.18 0.00 0.00 52.55 52.50 1azy s ASP 406 Cb -0.00 0.29 2.07 0.00 -0.34 0.00 0.00 42.92 44.94 1azy s ASP 406 CO 0.47 -0.82 2.23 -0.08 0.68 0.00 0.00 175.17 177.65 1azy h GLU 407 N 2.20 0.00 0.13 2.11 4.57 -1.98 -2.18 114.58 119.42 1azy h GLU 407 Ca -0.36 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.82 1azy h GLU 407 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1azy h GLU 407 CO 0.57 0.00 -0.06 -0.97 -1.18 0.00 0.00 179.01 177.37 1azy h ASN 408 N 0.00 -0.14 0.42 1.04 -1.24 -1.99 -2.32 115.58 111.35 1azy h ASN 408 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1azy h ASN 408 Cb 0.15 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.24 1azy h ASN 408 CO 0.00 0.01 -0.01 -0.55 -1.29 0.00 0.00 177.43 175.59 1azy h ASN 409 N -0.40 0.00 0.33 1.15 -1.07 -1.98 0.17 115.58 113.79 1azy h ASN 409 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.34 1azy h ASN 409 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 1azy h ASN 409 CO 0.03 0.01 -0.16 -0.25 0.07 0.00 0.00 177.43 177.14 1azy h TRP 410 N 0.00 -0.41 -0.89 4.14 7.01 -1.48 -0.70 115.95 123.61 1azy h TRP 410 Ca -0.00 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.09 1azy h TRP 410 Cb 0.23 0.13 -0.08 0.00 -2.10 0.00 0.00 29.16 27.35 1azy h TRP 410 CO 0.00 -0.10 0.53 0.37 -2.79 0.00 0.00 178.44 176.45 1azy h GLN 411 N -0.73 0.84 0.51 2.65 5.75 -0.49 0.21 115.11 123.85 1azy h GLN 411 Ca -0.04 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1azy h GLN 411 Cb 0.49 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1azy h GLN 411 CO 0.07 0.56 -0.40 0.93 -2.65 0.00 0.00 178.83 177.34 1azy h GLU 412 N 0.87 -0.84 -0.99 1.69 5.08 -0.50 -2.55 114.58 117.32 1azy h GLU 412 Ca 0.43 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.98 1azy h GLU 412 Cb 0.41 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1azy h GLU 412 CO -0.26 -0.56 0.62 0.00 -1.00 0.00 0.00 179.01 177.81 1azy h ALA 413 N -1.20 1.50 -0.77 3.43 0.00 -0.51 -0.50 119.26 121.21 1azy h ALA 413 Ca -0.07 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1azy h ALA 413 Cb 0.73 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1azy h ALA 413 CO 0.01 0.19 0.50 0.00 0.00 0.00 0.00 179.25 179.96 1azy h ALA 414 N 1.54 1.87 0.06 0.00 0.00 -0.37 0.32 119.26 122.69 1azy h ALA 414 Ca 0.50 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.16 1azy h ALA 414 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1azy h ALA 414 CO -0.28 -0.05 -1.07 0.87 0.00 0.00 0.00 179.25 178.72 1azy h LYS 415 N 0.62 0.30 -0.03 0.00 1.79 -0.71 -2.66 116.57 115.88 1azy h LYS 415 Ca 0.36 -0.41 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1azy h LYS 415 Cb 0.56 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1azy h LYS 415 CO -0.13 1.13 0.01 0.00 -1.08 0.00 0.00 179.45 179.38 1azy h ALA 416 N 0.71 0.05 0.91 3.86 0.00 -0.28 -1.16 119.26 123.34 1azy h ALA 416 Ca -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1azy h ALA 416 Cb 1.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1azy h ALA 416 CO 0.18 -0.37 -0.49 0.28 0.00 0.00 0.00 179.25 178.84 1azy h VAL 417 N -0.10 0.00 -0.86 0.00 2.07 -0.54 -1.53 116.25 115.29 1azy h VAL 417 Ca 0.01 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.77 1azy h VAL 417 Cb 0.16 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 1azy h VAL 417 CO -0.00 0.00 0.61 0.11 0.02 0.00 0.00 177.57 178.31 1azy h LYS 418 N -1.30 0.07 0.03 1.57 1.57 -1.48 0.20 116.57 117.23 1azy h LYS 418 Ca -0.12 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.43 1azy h LYS 418 Cb 1.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1azy h LYS 418 CO 0.17 0.04 -1.02 0.00 -0.57 0.00 0.00 179.45 178.07 1azy h ALA 419 N 1.58 0.34 0.00 3.86 0.00 -0.86 -3.33 119.26 120.85 1azy h ALA 419 Ca 0.42 -0.87 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1azy h ALA 419 Cb 1.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1azy h ALA 419 CO -0.04 1.12 -0.29 0.00 0.00 0.00 0.00 179.25 180.04 1azy h ALA 420 N 0.92 0.84 -2.89 0.00 0.00 0.41 -3.44 119.26 115.10 1azy h ALA 420 Ca -0.04 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 54.00 1azy h ALA 420 Cb 1.75 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 19.29 1azy h ALA 420 CO 0.15 0.26 -0.56 0.42 0.00 0.00 0.00 179.25 179.51 1azy s ILE 421 N -3.12 4.51 -0.07 0.00 1.01 -0.77 -0.95 121.20 121.81 1azy s ILE 421 Ca 0.05 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 1azy s ILE 421 Cb 0.06 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1azy s ILE 421 CO 0.71 0.04 0.49 -0.54 0.00 0.00 0.00 174.94 175.64 1azy s LYS 422 N 1.59 4.26 0.53 2.79 1.02 0.34 -4.90 119.74 125.37 1azy s LYS 422 Ca 0.04 0.51 0.05 0.00 0.02 0.00 0.00 55.97 56.59 1azy s LYS 422 Cb -0.17 -3.38 0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1azy s LYS 422 CO 0.06 0.30 0.73 -0.51 -0.92 0.00 0.00 175.35 175.01 1azy s LEU 423 N 0.13 3.35 0.18 3.17 1.43 -1.26 -0.73 118.68 124.96 1azy s LEU 423 Ca 0.27 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 1azy s LEU 423 Cb -0.16 -2.48 0.06 0.00 0.03 0.00 0.00 46.19 43.64 1azy s LEU 423 CO 0.12 -1.12 0.63 0.00 0.23 0.00 0.00 176.35 176.22 1azy s ALA 424 N -2.64 -1.52 0.16 4.21 0.00 -0.02 -4.66 121.76 117.28 1azy s ALA 424 Ca 0.58 0.32 0.27 0.00 0.00 0.00 0.00 51.96 53.14 1azy s ALA 424 Cb -0.09 0.87 1.13 0.00 0.00 0.00 0.00 23.12 25.03 1azy s ALA 424 CO 0.37 -0.83 1.91 -0.44 0.00 0.00 0.00 175.76 176.77 1azy h ASP 425 N 2.00 0.00 -4.98 0.00 3.32 -1.93 -0.68 116.42 114.14 1azy h ASP 425 Ca -0.30 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.59 1azy h ASP 425 Cb 1.30 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.64 1azy h ASP 425 CO 0.35 0.14 -0.60 -0.75 -1.72 0.00 0.00 179.24 176.66 1azy s LYS 426 N -3.72 0.40 0.25 3.56 2.47 -1.26 -4.72 119.74 116.72 1azy s LYS 426 Ca 0.00 -0.52 -0.31 0.00 -1.56 0.00 0.00 55.97 53.58 1azy s LYS 426 Cb 0.10 0.15 -0.12 0.00 -1.46 0.00 0.00 37.83 36.50 1azy s LYS 426 CO 0.60 -0.08 1.59 0.00 0.16 0.00 0.00 175.35 177.61 1azy n ALA 427 N 1.51 2.19 -1.42 3.13 0.00 -1.26 -4.84 120.51 119.82 1azy n ALA 427 Ca -0.23 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 1azy n ALA 427 Cb 0.55 -2.43 0.13 0.00 0.00 0.00 0.00 19.45 17.71 1azy n ALA 427 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1azy s PRO 428 N 0.05 1.30 0.25 0.00 0.04 -1.26 -4.99 135.00 130.39 1azy s PRO 428 Ca 0.69 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 1azy s PRO 428 Cb -0.55 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1azy s PRO 428 CO 0.44 -2.13 1.31 -1.21 0.04 0.00 0.00 177.00 175.44 1azy s GLU 429 N -5.13 4.38 0.55 4.56 0.41 -1.26 -4.93 118.70 117.28 1azy s GLU 429 Ca 0.63 2.11 -0.18 0.00 -0.41 0.00 0.00 54.97 57.13 1azy s GLU 429 Cb -0.16 -3.15 -0.05 0.00 -1.78 0.00 0.00 34.13 28.99 1azy s GLU 429 CO 0.55 -0.22 1.06 -1.12 -0.49 0.00 0.00 175.26 175.04 1azy s SER 430 N 0.01 5.97 0.26 -0.19 0.01 -1.26 -5.07 113.70 113.43 1azy s SER 430 Ca 0.54 1.88 0.11 0.00 1.31 0.00 0.00 55.95 59.80 1azy s SER 430 Cb -0.38 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.26 1azy s SER 430 CO 0.43 -1.04 -0.18 0.42 0.41 0.00 0.00 173.24 173.28 1azy s THR 431 N -2.24 2.58 0.78 1.44 -4.23 -1.26 -5.14 115.64 107.58 1azy s THR 431 Ca 0.66 -2.25 -0.11 0.00 -1.18 0.00 0.00 61.69 58.81 1azy s THR 431 Cb -0.17 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.41 1azy s THR 431 CO 0.30 -0.32 1.08 -2.84 -0.54 0.00 0.00 174.62 172.30 1azy s PRO 432 N -3.32 2.19 -0.17 3.99 0.02 -1.26 -4.98 135.00 131.47 1azy s PRO 432 Ca 0.28 0.88 -0.08 0.00 0.02 0.00 0.00 61.00 62.10 1azy s PRO 432 Cb -0.06 -1.91 -0.23 0.00 0.02 0.00 0.00 34.50 32.32 1azy s PRO 432 CO 0.14 -1.61 0.20 0.25 -0.33 0.00 0.00 177.00 175.66 1azy n THR 433 N -3.46 1.68 -3.97 0.99 -2.24 -1.26 -4.55 114.28 101.47 1azy n THR 433 Ca 0.08 -0.52 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1azy n THR 433 Cb 0.55 -1.74 -0.14 0.00 -2.10 0.00 0.00 70.33 66.89 1azy n THR 433 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1azy s VAL 434 N -2.52 2.68 -0.04 2.28 1.01 -1.26 -0.63 120.40 121.92 1azy s VAL 434 Ca -0.26 -1.45 -0.23 0.00 0.00 0.00 0.00 61.98 60.03 1azy s VAL 434 Cb 0.07 -2.54 -0.17 0.00 0.00 0.00 0.00 36.38 33.74 1azy s VAL 434 CO 0.70 -0.06 1.00 1.88 0.00 0.00 0.00 175.10 178.62 1azy h TYR 435 N 7.92 -0.17 -2.25 5.22 -1.99 -1.36 -3.50 116.97 120.84 1azy h TYR 435 Ca -0.21 -0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.68 1azy h TYR 435 Cb 1.06 0.06 -0.11 0.00 2.00 0.00 0.00 36.73 39.74 1azy h TYR 435 CO 0.62 0.29 0.51 -0.98 -0.00 0.00 0.00 178.16 178.61 1azy s ARG 436 N -3.70 1.02 -0.26 4.88 1.70 -1.26 -5.00 118.95 116.34 1azy s ARG 436 Ca -0.14 -0.51 -0.01 0.00 -0.47 0.00 0.00 55.73 54.60 1azy s ARG 436 Cb 0.01 0.38 0.04 0.00 -0.57 0.00 0.00 34.95 34.80 1azy s ARG 436 CO 0.54 -0.46 -0.07 0.50 -1.08 0.00 0.00 175.30 174.73 1azy s ARG 437 N -3.17 2.65 0.14 3.89 3.52 -1.26 -2.46 118.95 122.26 1azy s ARG 437 Ca 0.10 -1.09 -0.22 0.00 -0.13 0.00 0.00 55.73 54.38 1azy s ARG 437 Cb -0.01 -2.97 -0.08 0.00 -1.56 0.00 0.00 34.95 30.33 1azy s ARG 437 CO -0.02 -0.46 0.69 0.42 -0.81 0.00 0.00 175.30 175.13 1azy s ILE 438 N 1.27 4.52 0.20 4.11 1.09 -0.64 -4.98 121.20 126.77 1azy s ILE 438 Ca -0.02 1.48 -0.18 0.00 -1.10 0.00 0.00 60.65 60.83 1azy s ILE 438 Cb -0.18 -4.02 0.03 0.00 -1.06 0.00 0.00 42.46 37.23 1azy s ILE 438 CO -0.05 0.50 0.53 -0.94 -0.10 0.00 0.00 174.94 174.88 1azy s SER 439 N -1.19 -0.26 0.00 3.58 1.04 -1.26 -2.50 113.70 113.10 1azy s SER 439 Ca 0.34 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1azy s SER 439 Cb -0.21 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1azy s SER 439 CO 0.23 -1.06 0.00 1.21 0.98 0.00 0.00 173.24 174.60