#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qub s HIS 0 N 0.00 3.23 -0.62 0.66 0.09 -1.26 -4.83 115.29 112.55 2qub s HIS 0 Ca 0.00 1.23 0.05 0.00 -0.00 0.00 0.00 55.06 56.34 2qub s HIS 0 Cb 0.00 -3.62 0.04 0.00 -0.00 0.00 0.00 32.58 29.00 2qub s HIS 0 CO 0.00 -1.91 0.64 -1.33 -0.00 0.00 0.00 174.74 172.14 2qub n MET 1 N 2.42 0.02 0.00 1.40 2.00 -1.26 -4.97 117.12 116.73 2qub n MET 1 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 57.70 56.99 2qub n MET 1 Cb 0.43 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.57 2qub n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qub n GLY 2 N 0.33 1.48 0.24 3.03 0.00 -0.63 -4.37 105.19 105.28 2qub n GLY 2 Ca 0.03 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.52 2qub n GLY 2 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qub h ILE 3 N 0.00 0.95 -0.65 -0.61 2.10 -1.73 -2.01 117.51 115.55 2qub h ILE 3 Ca 0.00 -0.56 -0.12 0.00 1.08 0.00 0.00 64.86 65.26 2qub h ILE 3 Cb 0.00 1.32 -0.07 0.00 -1.09 0.00 0.00 36.82 36.98 2qub h ILE 3 CO 0.00 0.15 0.15 0.49 -1.08 0.00 0.00 178.15 177.86 2qub n PHE 4 N -4.12 2.25 -1.75 2.19 3.72 -1.26 -4.10 117.46 114.39 2qub n PHE 4 Ca -0.02 -0.96 -0.42 0.00 -0.05 0.00 0.00 57.45 56.00 2qub n PHE 4 Cb 0.23 -0.60 -0.00 0.00 -0.94 0.00 0.00 39.48 38.17 2qub n PHE 4 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2qub n SER 5 N 0.21 3.47 -3.94 4.37 2.88 -0.76 -4.74 113.62 115.11 2qub n SER 5 Ca 0.34 1.21 -0.24 0.00 -1.33 0.00 0.00 58.87 58.85 2qub n SER 5 Cb 1.28 -1.57 -0.17 0.00 -0.75 0.00 0.00 64.21 63.00 2qub n SER 5 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2qub s TYR 6 N -0.97 1.25 0.00 0.66 5.04 -1.26 -5.04 117.35 117.02 2qub s TYR 6 Ca 0.55 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 2qub s TYR 6 Cb -0.51 -1.01 0.00 0.00 0.35 0.00 0.00 41.96 40.79 2qub s TYR 6 CO 0.62 -0.33 0.00 1.63 -1.34 0.00 0.00 175.55 176.13 2qub n LYS 7 N 4.28 0.00 -0.39 4.97 5.02 -1.26 -1.68 118.16 129.10 2qub n LYS 7 Ca -0.19 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.18 2qub n LYS 7 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.76 2qub n LYS 7 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2qub n ASP 8 N 4.22 3.67 -4.76 4.39 5.75 -1.26 -5.02 116.55 123.54 2qub n ASP 8 Ca 0.00 -3.00 -0.35 0.00 -0.01 0.00 0.00 54.79 51.43 2qub n ASP 8 Cb 0.00 -0.52 0.04 0.00 -1.03 0.00 0.00 41.12 39.61 2qub n ASP 8 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qub s LEU 9 N -2.79 3.55 0.75 -2.12 1.43 -0.68 -5.02 118.68 113.81 2qub s LEU 9 Ca 0.40 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.60 2qub s LEU 9 Cb 0.33 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 42.01 2qub s LEU 9 CO 0.08 -1.62 1.13 1.51 0.23 0.00 0.00 176.35 177.68 2qub s ASP 10 N -1.99 5.04 0.15 2.29 1.47 -1.26 -4.77 116.67 117.61 2qub s ASP 10 Ca 0.73 1.01 -0.17 0.00 1.18 0.00 0.00 52.55 55.30 2qub s ASP 10 Cb -0.26 -1.69 0.07 0.00 -0.34 0.00 0.00 42.92 40.70 2qub s ASP 10 CO 0.36 -1.59 1.71 -0.08 0.68 0.00 0.00 175.17 176.26 2qub h GLU 11 N -0.83 0.13 -0.72 2.11 4.81 -1.96 -1.62 114.58 116.50 2qub h GLU 11 Ca -0.45 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.83 2qub h GLU 11 Cb 1.28 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.58 2qub h GLU 11 CO 0.64 0.08 0.42 -0.91 -0.73 0.00 0.00 179.01 178.52 2qub h ASN 12 N 0.13 0.64 -0.70 1.04 2.35 -1.94 -1.04 115.58 116.07 2qub h ASN 12 Ca 0.16 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2qub h ASN 12 Cb 0.21 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2qub h ASN 12 CO -0.25 0.41 0.15 0.00 -1.65 0.00 0.00 177.43 176.08 2qub h ALA 13 N 1.36 0.92 -0.59 -0.83 0.00 -1.75 -2.46 119.26 115.92 2qub h ALA 13 Ca 0.32 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2qub h ALA 13 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2qub h ALA 13 CO -0.18 0.67 0.13 0.77 0.00 0.00 0.00 179.25 180.64 2qub h SER 14 N 1.06 0.90 -0.62 0.00 0.02 -0.86 -1.37 113.55 112.68 2qub h SER 14 Ca 0.22 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2qub h SER 14 Cb 0.41 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2qub h SER 14 CO 0.01 0.90 0.34 0.11 -1.14 0.00 0.00 176.83 177.05 2qub h LYS 15 N 0.85 0.86 -0.59 3.45 1.57 -1.11 -0.97 116.57 120.63 2qub h LYS 15 Ca 0.18 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2qub h LYS 15 Cb 0.36 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2qub h LYS 15 CO 0.00 0.65 0.12 0.00 -0.57 0.00 0.00 179.45 179.66 2qub h ALA 16 N 1.16 0.78 -0.40 3.86 0.00 -1.29 -1.18 119.26 122.19 2qub h ALA 16 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2qub h ALA 16 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2qub h ALA 16 CO -0.04 0.50 0.22 1.25 0.00 0.00 0.00 179.25 181.19 2qub h LEU 17 N 0.86 0.49 -0.43 0.00 5.85 -1.10 -1.47 115.31 119.51 2qub h LEU 17 Ca 0.18 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2qub h LEU 17 Cb 0.38 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2qub h LEU 17 CO 0.01 0.44 0.25 0.15 -0.34 0.00 0.00 178.44 178.94 2qub h PHE 18 N 0.51 0.47 -0.61 1.25 3.57 -0.97 0.70 116.94 121.86 2qub h PHE 18 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2qub h PHE 18 Cb 0.05 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2qub h PHE 18 CO -0.03 0.27 0.36 1.03 -2.23 0.00 0.00 178.31 177.71 2qub h SER 19 N 0.51 0.75 -0.16 0.41 0.87 -1.03 -1.01 113.55 113.89 2qub h SER 19 Ca 0.17 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2qub h SER 19 Cb 0.02 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2qub h SER 19 CO -0.08 0.60 0.10 0.44 -0.53 0.00 0.00 176.83 177.36 2qub h ASP 20 N 0.83 0.18 -0.33 6.23 3.32 -0.92 -2.23 116.42 123.50 2qub h ASP 20 Ca 0.22 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2qub h ASP 20 Cb 0.00 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2qub h ASP 20 CO -0.04 0.14 0.22 0.00 -1.72 0.00 0.00 179.24 177.84 2qub h ALA 21 N 1.05 0.42 -0.68 3.45 0.00 -0.53 -2.14 119.26 120.83 2qub h ALA 21 Ca 0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2qub h ALA 21 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qub h ALA 21 CO -0.01 -0.12 0.12 1.25 0.00 0.00 0.00 179.25 180.50 2qub h LEU 22 N 0.45 1.07 -0.04 0.00 5.85 -1.16 -0.30 115.31 121.18 2qub h LEU 22 Ca 0.12 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2qub h LEU 22 Cb -0.05 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 2qub h LEU 22 CO -0.03 1.04 -0.10 0.00 -0.34 0.00 0.00 178.44 179.02 2qub h ALA 23 N 1.08 -0.08 -0.03 1.25 0.00 -1.23 -0.77 119.26 119.49 2qub h ALA 23 Ca 0.21 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 2qub h ALA 23 Cb 0.42 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2qub h ALA 23 CO 0.01 -0.58 -0.75 -0.84 0.00 0.00 0.00 179.25 177.09 2qub h ILE 24 N -0.15 1.45 -0.38 0.00 3.07 -1.19 -1.77 117.51 118.54 2qub h ILE 24 Ca 0.05 -2.35 -0.01 0.00 1.55 0.00 0.00 64.86 64.10 2qub h ILE 24 Cb 0.22 2.27 -0.02 0.00 -0.27 0.00 0.00 36.82 39.01 2qub h ILE 24 CO -0.12 0.69 0.21 -1.28 -1.05 0.00 0.00 178.15 176.59 2qub h SER 25 N 0.12 0.47 -0.47 2.16 0.87 -0.95 -2.74 113.55 113.01 2qub h SER 25 Ca -0.02 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2qub h SER 25 Cb 1.32 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2qub h SER 25 CO 0.11 0.42 0.19 0.74 -0.53 0.00 0.00 176.83 177.76 2qub h THR 26 N 0.48 1.20 -0.77 2.23 2.02 -1.07 -3.07 112.91 113.94 2qub h THR 26 Ca 0.13 -0.62 0.11 0.00 0.77 0.00 0.00 66.41 66.80 2qub h THR 26 Cb 0.05 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 2qub h THR 26 CO -0.02 0.23 0.50 0.22 0.37 0.00 0.00 175.52 176.83 2qub h TYR 27 N 0.62 0.69 -0.07 3.16 3.20 -1.07 -1.98 116.97 121.52 2qub h TYR 27 Ca 0.16 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.07 2qub h TYR 27 Cb 0.18 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 2qub h TYR 27 CO 0.00 0.31 0.11 0.00 -1.64 0.00 0.00 178.16 176.94 2qub h ALA 28 N 1.62 1.48 -0.00 1.82 0.00 -1.39 0.37 119.26 123.16 2qub h ALA 28 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2qub h ALA 28 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qub h ALA 28 CO -0.13 -0.15 -0.36 0.66 0.00 0.00 0.00 179.25 179.27 2qub n TYR 29 N -3.54 0.00 -4.08 0.00 4.01 -0.74 -4.78 117.16 108.03 2qub n TYR 29 Ca -0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 2qub n TYR 29 Cb 0.20 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 38.90 2qub n TYR 29 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2qub n HIS 30 N -1.49 -1.87 -2.04 -0.72 8.25 0.12 -1.90 115.22 115.56 2qub n HIS 30 Ca 0.06 0.82 -0.19 0.00 -0.26 0.00 0.00 57.72 58.15 2qub n HIS 30 Cb 0.34 -3.39 -0.04 0.00 1.12 0.00 0.00 29.99 28.01 2qub n HIS 30 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qub n ASN 31 N -2.77 -5.39 0.12 0.41 3.02 -1.26 -4.51 115.26 104.87 2qub n ASN 31 Ca -0.02 0.17 0.15 0.00 -0.03 0.00 0.00 54.58 54.85 2qub n ASN 31 Cb 0.54 -4.49 0.68 0.00 -0.61 0.00 0.00 39.78 35.91 2qub n ASN 31 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2qub h ILE 32 N 0.00 0.82 -0.55 2.41 6.09 -1.72 -1.76 117.51 122.79 2qub h ILE 32 Ca -0.43 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 2qub h ILE 32 Cb 1.29 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.43 2qub h ILE 32 CO 0.55 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.73 2qub n ASP 33 N -4.40 5.32 -0.11 2.19 5.75 -1.26 -4.26 116.55 119.78 2qub n ASP 33 Ca 0.04 -2.80 -0.09 0.00 -0.01 0.00 0.00 54.79 51.93 2qub n ASP 33 Cb 0.38 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.80 2qub n ASP 33 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2qub h ASN 34 N 3.78 0.44 -0.37 -1.12 -0.00 -1.43 -0.05 115.58 116.83 2qub h ASN 34 Ca 0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 56.30 56.15 2qub h ASN 34 Cb 1.82 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 40.01 2qub h ASN 34 CO 0.43 0.37 -0.10 1.23 -0.00 0.00 0.00 177.43 179.35 2qub h GLY 35 N 0.47 0.87 0.99 1.57 0.00 -1.37 -2.23 103.07 103.38 2qub h GLY 35 Ca 0.13 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 2qub h GLY 35 CO -0.02 0.60 0.26 -2.75 0.00 0.00 0.00 176.54 174.63 2qub h PHE 36 N 0.73 0.86 0.15 5.60 -0.00 -1.64 0.22 116.94 122.86 2qub h PHE 36 Ca 0.12 -0.05 0.02 0.00 -0.00 0.00 0.00 57.97 58.06 2qub h PHE 36 Cb 0.59 -0.26 -0.04 0.00 -0.00 0.00 0.00 35.95 36.24 2qub h PHE 36 CO 0.03 0.67 -0.34 0.22 -0.00 0.00 0.00 178.31 178.89 2qub h ASP 37 N 0.80 -0.98 -0.08 0.41 1.82 -0.74 0.14 116.42 117.79 2qub h ASP 37 Ca 0.20 0.11 0.01 0.00 -0.39 0.00 0.00 57.03 56.96 2qub h ASP 37 Cb 0.15 0.37 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2qub h ASP 37 CO -0.02 -0.43 0.00 -0.08 -1.61 0.00 0.00 179.24 177.10 2qub h GLU 38 N -0.59 0.03 -0.03 0.28 4.81 -1.21 -2.64 114.58 115.24 2qub h GLU 38 Ca 0.02 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2qub h GLU 38 Cb 0.60 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2qub h GLU 38 CO -0.18 0.02 -0.05 0.78 -0.73 0.00 0.00 179.01 178.85 2qub h GLY 39 N 0.03 -0.02 0.50 1.92 0.00 -0.77 -1.49 103.07 103.24 2qub h GLY 39 Ca 0.04 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.49 2qub h GLY 39 CO -0.06 -0.06 0.13 -1.82 0.00 0.00 0.00 176.54 174.73 2qub h TYR 40 N -0.07 0.22 -0.17 5.60 3.20 -0.70 0.04 116.97 125.09 2qub h TYR 40 Ca 0.03 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 2qub h TYR 40 Cb 0.12 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2qub h TYR 40 CO -0.13 0.05 -0.38 0.45 -1.64 0.00 0.00 178.16 176.51 2qub h HIS 41 N 0.28 0.43 0.03 -3.82 3.86 -1.22 0.11 115.15 114.81 2qub h HIS 41 Ca 0.22 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 2qub h HIS 41 Cb 0.25 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.63 2qub h HIS 41 CO -0.18 0.70 -0.38 0.37 0.86 0.00 0.00 177.93 179.30 2qub h GLN 42 N 0.31 0.21 0.00 2.45 4.15 -0.85 0.39 115.11 121.77 2qub h GLN 42 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2qub h GLN 42 Cb 0.81 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.59 2qub h GLN 42 CO 0.07 1.02 0.00 0.25 -1.93 0.00 0.00 178.83 178.24 2qub n THR 43 N -4.40 0.00 -4.09 2.39 -2.24 -0.04 -4.61 114.28 101.30 2qub n THR 43 Ca -0.11 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2qub n THR 43 Cb 0.59 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 2qub n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qub n GLY 44 N 0.72 -0.48 0.34 3.38 0.00 0.02 -3.85 105.19 105.32 2qub n GLY 44 Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 44.92 2qub n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qub n PHE 45 N 0.00 0.00 0.00 1.61 7.35 -1.26 -4.31 117.46 120.85 2qub n PHE 45 Ca 0.00 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 2qub n PHE 45 Cb 0.00 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.78 2qub n PHE 45 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qub n GLY 46 N -0.11 1.37 0.40 7.13 0.00 -1.26 -4.70 105.19 108.01 2qub n GLY 46 Ca 0.01 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.25 2qub n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qub h LEU 47 N 0.00 0.05 -0.94 0.99 3.38 -1.96 -1.53 115.31 115.30 2qub h LEU 47 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qub h LEU 47 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2qub h LEU 47 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2qub n GLY 48 N -1.65 0.14 0.28 0.83 0.00 -1.25 -4.45 105.19 99.09 2qub n GLY 48 Ca 0.13 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.84 2qub n GLY 48 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qub h LEU 49 N 1.72 0.48 -1.20 0.99 5.85 -1.46 -1.00 115.31 120.68 2qub h LEU 49 Ca 0.00 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2qub h LEU 49 Cb 0.38 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2qub h LEU 49 CO 0.00 0.25 0.55 -0.65 -0.34 0.00 0.00 178.44 178.25 2qub h PRO 50 N 0.61 1.04 -0.44 5.25 0.11 -1.83 -0.69 132.00 136.04 2qub h PRO 50 Ca 0.38 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.31 2qub h PRO 50 Cb 0.44 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2qub h PRO 50 CO -0.30 0.69 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.91 2qub h LEU 51 N 1.07 0.94 -0.64 2.35 3.38 -1.56 -1.98 115.31 118.87 2qub h LEU 51 Ca 0.32 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2qub h LEU 51 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2qub h LEU 51 CO -0.08 1.13 0.39 0.74 0.09 0.00 0.00 178.44 180.70 2qub h THR 52 N 0.75 1.06 -0.43 0.22 2.02 -0.75 -2.16 112.91 113.62 2qub h THR 52 Ca 0.10 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 2qub h THR 52 Cb 0.77 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2qub h THR 52 CO 0.06 0.14 -0.17 -0.07 0.37 0.00 0.00 175.52 175.85 2qub h LEU 53 N 0.76 0.83 -0.32 2.58 3.38 -0.96 -1.11 115.31 120.48 2qub h LEU 53 Ca 0.26 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qub h LEU 53 Cb 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2qub h LEU 53 CO -0.11 1.00 0.19 0.40 0.09 0.00 0.00 178.44 180.00 2qub h ILE 54 N 0.73 1.11 -0.55 1.22 2.04 -1.14 -2.06 117.51 118.87 2qub h ILE 54 Ca 0.11 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 2qub h ILE 54 Cb 0.69 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2qub h ILE 54 CO 0.05 0.11 0.15 0.74 0.00 0.00 0.00 178.15 179.20 2qub h THR 55 N 0.40 1.22 -0.67 -0.27 2.02 -1.25 -0.98 112.91 113.38 2qub h THR 55 Ca 0.11 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.56 2qub h THR 55 Cb 0.02 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2qub h THR 55 CO -0.02 0.30 0.44 0.00 0.37 0.00 0.00 175.52 176.61 2qub h ALA 56 N 1.36 1.71 0.17 6.16 0.00 -0.85 0.20 119.26 128.01 2qub h ALA 56 Ca 0.18 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 2qub h ALA 56 Cb 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qub h ALA 56 CO -0.00 0.20 -1.09 -0.07 0.00 0.00 0.00 179.25 178.28 2qub h LEU 57 N 0.72 0.56 -1.47 0.00 3.38 -0.63 -2.10 115.31 115.77 2qub h LEU 57 Ca 0.28 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2qub h LEU 57 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qub h LEU 57 CO -0.09 1.52 0.00 2.30 0.09 0.00 0.00 178.44 182.26 2qub n ILE 58 N -3.98 0.28 -4.94 1.22 -5.35 -0.46 -1.87 119.36 104.26 2qub n ILE 58 Ca -0.16 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 2qub n ILE 58 Cb 0.91 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.76 2qub n ILE 58 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qub n GLY 59 N -0.14 2.03 0.00 3.28 0.00 0.70 -4.28 105.19 106.78 2qub n GLY 59 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2qub n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qub n SER 60 N -1.01 0.00 0.01 1.61 3.41 -0.26 -4.67 113.62 112.71 2qub n SER 60 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2qub n SER 60 Cb 0.00 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.51 2qub n SER 60 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qub n THR 61 N 0.00 0.20 0.39 6.66 -2.24 -1.26 -3.82 114.28 114.21 2qub n THR 61 Ca 0.00 0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 2qub n THR 61 Cb 0.00 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 2qub n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qub n GLN 62 N -1.58 2.86 -3.74 -0.78 6.02 -1.26 -4.32 117.38 114.58 2qub n GLN 62 Ca 0.06 -0.38 -0.10 0.00 -0.01 0.00 0.00 57.00 56.58 2qub n GLN 62 Cb 0.32 -0.99 -0.06 0.00 1.02 0.00 0.00 30.24 30.54 2qub n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2qub s SER 63 N -1.42 -0.08 -0.17 1.08 1.04 -1.25 -4.87 113.70 108.04 2qub s SER 63 Ca 0.06 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 2qub s SER 63 Cb 0.07 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 2qub s SER 63 CO 0.26 -0.81 -0.10 -1.58 0.98 0.00 0.00 173.24 171.99 2qub s GLN 64 N -3.84 3.36 0.00 4.02 0.74 -1.26 -1.11 119.66 121.58 2qub s GLN 64 Ca 0.04 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.79 2qub s GLN 64 Cb 0.03 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 31.35 2qub s GLN 64 CO -0.11 0.01 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 2qub n GLY 65 N 4.14 0.11 0.23 2.59 0.00 -1.26 -1.15 105.19 109.85 2qub n GLY 65 Ca -0.18 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.10 2qub n GLY 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qub h GLY 66 N 0.00 0.25 -4.50 -0.02 0.00 -0.66 -3.44 103.07 94.70 2qub h GLY 66 Ca 0.00 -0.16 -0.54 0.00 0.00 0.00 0.00 47.33 46.63 2qub h GLY 66 CO 0.00 0.15 0.56 1.08 0.00 0.00 0.00 176.54 178.33 2qub s LEU 67 N -8.68 4.37 0.63 3.11 1.02 -0.78 -4.76 118.68 113.57 2qub s LEU 67 Ca -0.05 1.98 -0.05 0.00 0.02 0.00 0.00 54.13 56.03 2qub s LEU 67 Cb 0.15 -3.58 0.03 0.00 0.02 0.00 0.00 46.19 42.82 2qub s LEU 67 CO 0.74 -0.46 0.93 -2.16 0.02 0.00 0.00 176.35 175.42 2qub s PRO 68 N 1.13 2.60 0.00 1.29 0.04 -1.26 -4.60 135.00 134.19 2qub s PRO 68 Ca 0.58 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2qub s PRO 68 Cb -0.29 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2qub s PRO 68 CO 0.29 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2qub n GLY 69 N -2.69 0.51 3.57 0.56 0.00 -1.26 -5.01 105.19 100.87 2qub n GLY 69 Ca 0.06 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2qub n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qub s LEU 70 N 0.00 4.24 0.59 0.99 1.43 -1.26 -4.94 118.68 119.72 2qub s LEU 70 Ca 0.00 0.18 0.37 0.00 -1.03 0.00 0.00 54.13 53.66 2qub s LEU 70 Cb 0.00 -2.82 1.72 0.00 0.03 0.00 0.00 46.19 45.12 2qub s LEU 70 CO 0.00 -0.61 2.11 1.55 0.23 0.00 0.00 176.35 179.63 2qub h PRO 71 N 8.46 0.00 -0.00 1.29 0.13 -2.00 -1.83 132.00 138.05 2qub h PRO 71 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2qub h PRO 71 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qub h PRO 71 CO 0.85 0.00 -0.27 -2.67 -0.23 0.00 0.00 178.00 175.68 2qub n TRP 72 N -3.08 0.00 -2.67 1.56 2.14 -1.26 -4.84 117.44 109.30 2qub n TRP 72 Ca -0.01 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.22 2qub n TRP 72 Cb 0.23 -0.36 -0.05 0.00 -0.81 0.00 0.00 31.31 30.31 2qub n TRP 72 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 2qub s ASN 73 N -2.99 6.70 0.75 -0.67 0.02 -0.69 -4.17 114.94 113.88 2qub s ASN 73 Ca 0.13 1.84 -0.11 0.00 -1.02 0.00 0.00 52.86 53.69 2qub s ASN 73 Cb 0.18 -2.56 0.05 0.00 0.02 0.00 0.00 41.25 38.94 2qub s ASN 73 CO 0.62 -0.53 1.10 -2.16 0.02 0.00 0.00 177.10 176.15 2qub s PRO 74 N -3.03 2.35 -1.06 -0.60 0.04 -1.26 -4.95 135.00 126.49 2qub s PRO 74 Ca 0.63 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.67 2qub s PRO 74 Cb -0.14 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.56 2qub s PRO 74 CO 0.18 -1.58 1.45 0.34 0.04 0.00 0.00 177.00 177.44 2qub s ASP 75 N -3.23 6.59 0.50 6.66 -1.08 -1.26 -4.55 116.67 120.29 2qub s ASP 75 Ca 0.62 -1.74 0.29 0.00 -0.52 0.00 0.00 52.55 51.20 2qub s ASP 75 Cb -0.18 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 39.88 2qub s ASP 75 CO 0.53 -1.37 1.91 0.77 0.52 0.00 0.00 175.17 177.53 2qub h SER 76 N 9.23 0.00 -0.19 -0.34 4.64 -1.94 -2.70 113.55 122.26 2qub h SER 76 Ca 0.24 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 2qub h SER 76 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2qub h SER 76 CO 1.38 0.11 -0.49 -0.33 -0.87 0.00 0.00 176.83 176.63 2qub h GLU 77 N 0.00 0.76 -0.57 4.77 5.08 -1.88 -0.80 114.58 121.95 2qub h GLU 77 Ca -0.00 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 2qub h GLU 77 Cb 0.62 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2qub h GLU 77 CO 0.01 1.08 0.08 0.37 -1.00 0.00 0.00 179.01 179.55 2qub h GLN 78 N 0.60 0.92 -0.59 2.33 -0.00 -1.89 -1.98 115.11 114.50 2qub h GLN 78 Ca 0.03 -0.23 -0.06 0.00 -0.00 0.00 0.00 58.65 58.38 2qub h GLN 78 Cb 1.07 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 28.41 2qub h GLN 78 CO 0.11 0.87 0.11 0.00 0.00 0.00 0.00 178.83 179.91 2qub h ALA 79 N 1.21 1.08 -0.63 3.38 0.00 -1.24 -0.55 119.26 122.52 2qub h ALA 79 Ca 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2qub h ALA 79 Cb 0.41 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2qub h ALA 79 CO 0.01 0.60 0.20 0.00 0.00 0.00 0.00 179.25 180.06 2qub h ALA 80 N 1.23 0.82 -0.52 0.00 0.00 -0.91 -1.42 119.26 118.46 2qub h ALA 80 Ca 0.18 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2qub h ALA 80 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qub h ALA 80 CO 0.01 0.48 0.10 0.37 0.00 0.00 0.00 179.25 180.21 2qub h GLN 81 N 0.90 0.85 -0.80 0.00 4.15 -1.08 -2.42 115.11 116.70 2qub h GLN 81 Ca 0.20 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.42 2qub h GLN 81 Cb 0.28 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 2qub h GLN 81 CO -0.01 0.82 0.53 0.93 -1.93 0.00 0.00 178.83 179.17 2qub h GLU 82 N 0.73 1.03 -0.22 1.69 5.08 -0.89 -0.01 114.58 121.99 2qub h GLU 82 Ca 0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2qub h GLU 82 Cb 0.37 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2qub h GLU 82 CO 0.01 0.68 0.11 0.00 -1.00 0.00 0.00 179.01 178.81 2qub h ALA 83 N 1.30 0.29 -0.28 3.43 0.00 -1.08 -0.65 119.26 122.27 2qub h ALA 83 Ca 0.30 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 2qub h ALA 83 Cb -0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qub h ALA 83 CO -0.07 -0.15 -0.51 -0.24 0.00 0.00 0.00 179.25 178.28 2qub h VAL 84 N 0.23 1.29 -0.68 0.00 3.04 -1.22 -2.12 116.25 116.79 2qub h VAL 84 Ca 0.08 -1.70 -0.02 0.00 -1.01 0.00 0.00 66.70 64.04 2qub h VAL 84 Cb 0.12 1.61 -0.03 0.00 -2.01 0.00 0.00 31.29 30.98 2qub h VAL 84 CO -0.01 0.55 0.33 0.78 -1.01 0.00 0.00 177.57 178.21 2qub h ASN 85 N 0.61 0.88 0.78 3.17 -0.26 -0.89 -1.73 115.58 118.14 2qub h ASN 85 Ca 0.02 -0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 55.60 2qub h ASN 85 Cb 1.09 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 38.12 2qub h ASN 85 CO 0.11 0.76 -0.15 0.78 -1.06 0.00 0.00 177.43 177.87 2qub h ASN 86 N 0.94 0.00 -0.01 5.81 2.35 -0.97 -1.16 115.58 122.54 2qub h ASN 86 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2qub h ASN 86 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2qub h ASN 86 CO -0.03 0.15 0.00 0.00 -1.65 0.00 0.00 177.43 175.90 2qub n ALA 87 N -2.21 2.64 0.00 -0.83 0.00 -0.81 -4.90 120.51 114.41 2qub n ALA 87 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2qub n ALA 87 Cb 0.35 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2qub n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 88 N 1.02 0.59 3.48 0.00 0.00 -0.44 -4.98 105.19 104.86 2qub n GLY 88 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2qub n GLY 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qub s TRP 89 N -2.00 2.94 0.02 1.61 0.52 -0.70 -4.30 118.94 117.03 2qub s TRP 89 Ca 0.00 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 55.85 2qub s TRP 89 Cb 0.00 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 2qub s TRP 89 CO 0.00 0.01 -0.11 -1.54 0.02 0.00 0.00 176.95 175.33 2qub s SER 90 N 0.05 1.32 0.29 2.95 1.04 -0.70 -2.98 113.70 115.67 2qub s SER 90 Ca -0.02 -0.36 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 2qub s SER 90 Cb -0.14 -0.09 -0.12 0.00 0.10 0.00 0.00 66.02 65.77 2qub s SER 90 CO 0.03 0.03 1.46 0.52 0.98 0.00 0.00 173.24 176.26 2qub n VAL 91 N 2.20 1.29 -3.76 5.02 0.31 -1.26 -0.62 118.33 121.51 2qub n VAL 91 Ca -0.17 -0.32 -0.35 0.00 -0.01 0.00 0.00 64.34 63.49 2qub n VAL 91 Cb 0.55 -1.72 -0.08 0.00 -0.91 0.00 0.00 33.84 31.68 2qub n VAL 91 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qub s ILE 92 N -0.35 5.38 0.55 2.52 1.01 -0.19 -4.83 121.20 125.29 2qub s ILE 92 Ca 0.63 0.18 -0.14 0.00 0.00 0.00 0.00 60.65 61.32 2qub s ILE 92 Cb -0.56 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 2qub s ILE 92 CO 0.53 0.45 0.99 -0.94 0.00 0.00 0.00 174.94 175.97 2qub s SER 93 N 0.26 6.44 0.31 3.58 1.04 -1.26 -4.81 113.70 119.27 2qub s SER 93 Ca 0.08 1.47 0.02 0.00 0.48 0.00 0.00 55.95 58.00 2qub s SER 93 Cb -0.11 -2.48 0.57 0.00 0.10 0.00 0.00 66.02 64.10 2qub s SER 93 CO -0.01 -0.70 1.92 0.00 0.98 0.00 0.00 173.24 175.43 2qub h ALA 94 N 0.39 1.55 -0.37 5.32 0.00 -1.92 -1.93 119.26 122.30 2qub h ALA 94 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2qub h ALA 94 Cb 1.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2qub h ALA 94 CO 0.62 0.32 0.20 1.15 0.00 0.00 0.00 179.25 181.54 2qub h THR 95 N 0.98 1.15 -0.89 0.00 2.02 -1.93 0.90 112.91 115.13 2qub h THR 95 Ca 0.38 -0.38 0.09 0.00 0.77 0.00 0.00 66.41 67.26 2qub h THR 95 Cb 0.21 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 2qub h THR 95 CO -0.14 0.15 0.54 1.56 0.37 0.00 0.00 175.52 178.00 2qub h GLN 96 N 0.47 0.90 0.00 6.66 4.20 -1.75 -1.87 115.11 123.71 2qub h GLN 96 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2qub h GLN 96 Cb 0.06 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2qub h GLN 96 CO -0.02 0.59 0.00 -0.07 -0.67 0.00 0.00 178.83 178.66 2qub h LEU 97 N 0.93 0.00 1.17 1.46 3.38 -0.87 -3.47 115.31 117.90 2qub h LEU 97 Ca 0.41 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.13 2qub h LEU 97 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qub h LEU 97 CO -0.22 0.00 -0.35 0.61 0.09 0.00 0.00 178.44 178.57 2qub n GLY 98 N 1.24 -0.12 3.76 0.83 0.00 0.19 -4.83 105.19 106.27 2qub n GLY 98 Ca 0.05 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2qub n GLY 98 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qub s TYR 99 N -2.78 3.69 -2.24 1.61 5.04 -0.48 -4.98 117.35 117.21 2qub s TYR 99 Ca 0.09 1.25 0.23 0.00 -2.44 0.00 0.00 57.07 56.20 2qub s TYR 99 Cb -0.04 -2.65 0.54 0.00 0.35 0.00 0.00 41.96 40.16 2qub s TYR 99 CO 0.11 0.33 1.47 0.00 -1.34 0.00 0.00 175.55 176.13 2qub n ALA 100 N 2.76 2.40 -1.72 3.97 0.00 -1.26 -4.76 120.51 121.91 2qub n ALA 100 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.25 2qub n ALA 100 Cb 0.51 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2qub n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 101 N 1.59 0.71 3.72 0.00 0.00 -1.26 -5.07 105.19 104.88 2qub n GLY 101 Ca 0.22 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 2qub n GLY 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qub s LYS 102 N 0.56 4.32 0.15 1.61 2.20 -1.26 -5.06 119.74 122.26 2qub s LYS 102 Ca 0.00 0.39 0.06 0.00 -0.36 0.00 0.00 55.97 56.07 2qub s LYS 102 Cb 0.00 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2qub s LYS 102 CO 0.00 0.16 -0.14 0.95 -0.36 0.00 0.00 175.35 175.96 2qub s THR 103 N 0.64 1.45 0.34 3.43 -4.23 -1.26 -2.18 115.64 113.84 2qub s THR 103 Ca 0.24 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 2qub s THR 103 Cb -0.15 -1.74 0.05 0.00 1.34 0.00 0.00 72.50 72.00 2qub s THR 103 CO 0.09 -0.51 0.42 -0.90 -0.54 0.00 0.00 174.62 173.18 2qub n ASP 104 N 0.16 1.46 0.30 3.99 5.68 -0.53 -4.95 116.55 122.67 2qub n ASP 104 Ca -0.12 -1.97 0.19 0.00 -0.50 0.00 0.00 54.79 52.38 2qub n ASP 104 Cb 0.58 -0.19 0.95 0.00 -1.14 0.00 0.00 41.12 41.32 2qub n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qub h ALA 105 N 0.38 1.10 -0.01 2.12 0.00 -2.03 -1.06 119.26 119.76 2qub h ALA 105 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qub h ALA 105 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qub h ALA 105 CO 0.26 0.04 -0.11 0.54 0.00 0.00 0.00 179.25 179.97 2qub n ARG 106 N -3.27 1.38 -0.51 0.00 1.74 -1.26 -4.93 116.66 109.81 2qub n ARG 106 Ca -0.02 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.21 2qub n ARG 106 Cb 0.17 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2qub n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qub n GLY 107 N 1.26 0.75 3.76 -0.13 0.00 -0.40 -5.05 105.19 105.37 2qub n GLY 107 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2qub n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qub s THR 108 N -2.24 3.49 -0.00 2.61 2.01 -1.26 -4.78 115.64 115.47 2qub s THR 108 Ca 0.00 1.46 -0.11 0.00 0.31 0.00 0.00 61.69 63.35 2qub s THR 108 Cb 0.00 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2qub s THR 108 CO 0.00 0.33 0.34 -0.31 -0.69 0.00 0.00 174.62 174.29 2qub s TYR 109 N -0.99 3.66 0.12 4.92 2.02 -0.20 -1.45 117.35 125.44 2qub s TYR 109 Ca 0.46 0.81 0.08 0.00 -0.37 0.00 0.00 57.07 58.05 2qub s TYR 109 Cb -0.32 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 2qub s TYR 109 CO 0.41 0.63 -0.13 0.71 -1.57 0.00 0.00 175.55 175.60 2qub s TYR 110 N -1.17 2.64 0.42 2.71 2.02 -0.93 -1.02 117.35 122.02 2qub s TYR 110 Ca 0.25 -0.21 -0.25 0.00 -0.37 0.00 0.00 57.07 56.49 2qub s TYR 110 Cb -0.15 -1.38 -0.10 0.00 -0.40 0.00 0.00 41.96 39.93 2qub s TYR 110 CO 0.13 0.42 1.05 0.41 -1.57 0.00 0.00 175.55 176.00 2qub n GLY 111 N 0.65 -0.08 0.06 0.71 0.00 -0.38 -4.69 105.19 101.45 2qub n GLY 111 Ca -0.14 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2qub n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qub n GLU 112 N 0.14 0.65 -4.47 1.61 1.02 0.41 -4.33 120.64 115.66 2qub n GLU 112 Ca 0.09 -0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.87 2qub n GLU 112 Cb 0.39 -1.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 2qub n GLU 112 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2qub s THR 113 N -3.17 3.56 0.08 2.62 2.01 -1.23 -5.00 115.64 114.51 2qub s THR 113 Ca -0.06 -0.82 -0.36 0.00 0.31 0.00 0.00 61.69 60.75 2qub s THR 113 Cb 0.11 -2.54 -0.16 0.00 0.01 0.00 0.00 72.50 69.91 2qub s THR 113 CO 0.86 0.38 1.43 0.00 -0.69 0.00 0.00 174.62 176.61 2qub n ALA 114 N 1.54 -0.32 -0.04 7.40 0.00 -1.26 -0.60 120.51 127.23 2qub n ALA 114 Ca -0.15 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2qub n ALA 114 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2qub n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 115 N 2.88 0.59 0.02 0.00 0.00 -1.26 -4.86 105.19 102.56 2qub n GLY 115 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2qub n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qub n TYR 116 N -2.00 0.00 0.86 1.61 4.01 0.24 -4.85 117.16 117.03 2qub n TYR 116 Ca 0.00 -0.36 0.09 0.00 -0.16 0.00 0.00 57.90 57.48 2qub n TYR 116 Cb 0.00 -0.04 0.47 0.00 -0.31 0.00 0.00 39.34 39.46 2qub n TYR 116 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qub n THR 117 N -0.38 0.48 0.47 -0.72 -2.24 -1.22 -1.73 114.28 108.94 2qub n THR 117 Ca 0.01 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 2qub n THR 117 Cb 0.36 -0.80 0.20 0.00 -2.10 0.00 0.00 70.33 67.99 2qub n THR 117 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qub n THR 118 N -1.33 0.39 -2.33 4.28 -2.24 -1.26 -4.20 114.28 107.59 2qub n THR 118 Ca 0.08 -0.69 -0.37 0.00 -2.27 0.00 0.00 64.05 60.80 2qub n THR 118 Cb 0.17 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 2qub n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qub s ALA 119 N -1.61 3.04 0.00 6.98 0.00 -0.70 -4.83 121.76 124.65 2qub s ALA 119 Ca 0.37 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.25 2qub s ALA 119 Cb 0.22 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 2qub s ALA 119 CO 0.31 -0.52 -0.11 -0.65 0.00 0.00 0.00 175.76 174.80 2qub s GLN 120 N -2.55 0.83 0.03 0.00 1.11 -1.26 -1.25 119.66 116.57 2qub s GLN 120 Ca 0.61 -0.47 -0.01 0.00 0.01 0.00 0.00 55.36 55.50 2qub s GLN 120 Cb -0.27 -0.80 -0.03 0.00 -1.01 0.00 0.00 33.01 30.90 2qub s GLN 120 CO 0.34 0.21 -0.02 0.00 0.01 0.00 0.00 175.29 175.83 2qub s ALA 121 N -0.43 0.23 -0.02 6.09 0.00 -0.19 -1.54 121.76 125.90 2qub s ALA 121 Ca 0.03 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.27 2qub s ALA 121 Cb -0.05 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2qub s ALA 121 CO -0.00 -0.24 -0.25 -1.21 0.00 0.00 0.00 175.76 174.06 2qub s GLU 122 N -2.35 2.12 -0.15 0.00 0.41 0.48 -1.03 118.70 118.18 2qub s GLU 122 Ca -0.08 -0.92 0.01 0.00 -0.41 0.00 0.00 54.97 53.57 2qub s GLU 122 Cb -0.03 -2.07 0.02 0.00 -1.78 0.00 0.00 34.13 30.26 2qub s GLU 122 CO -0.04 0.56 -0.16 0.08 -0.49 0.00 0.00 175.26 175.21 2qub s VAL 123 N -0.65 1.72 0.16 2.63 1.01 -1.26 -1.45 120.40 122.56 2qub s VAL 123 Ca 0.10 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2qub s VAL 123 Cb -0.10 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2qub s VAL 123 CO -0.00 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.69 2qub s LEU 124 N 1.36 2.51 0.16 3.92 1.02 0.14 -1.02 118.68 126.77 2qub s LEU 124 Ca 0.03 -0.97 0.09 0.00 0.02 0.00 0.00 54.13 53.31 2qub s LEU 124 Cb -0.13 -0.51 -0.04 0.00 0.02 0.00 0.00 46.19 45.53 2qub s LEU 124 CO -0.10 -0.23 -0.20 -0.83 0.02 0.00 0.00 176.35 175.00 2qub s GLY 125 N -3.06 1.45 -0.05 -3.19 0.00 0.21 -0.80 107.32 101.88 2qub s GLY 125 Ca 0.17 -1.48 0.04 0.00 0.00 0.00 0.00 44.72 43.45 2qub s GLY 125 CO 0.03 -1.52 -0.17 1.25 0.00 0.00 0.00 173.10 172.70 2qub s LYS 126 N -2.58 2.46 0.09 2.90 2.20 -0.41 -1.72 119.74 122.68 2qub s LYS 126 Ca 0.15 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 55.08 2qub s LYS 126 Cb -0.07 -2.31 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 2qub s LYS 126 CO 0.07 0.59 -0.18 0.71 -0.36 0.00 0.00 175.35 176.17 2qub s TYR 127 N -0.64 1.57 0.81 4.03 2.02 -1.26 -0.80 117.35 123.08 2qub s TYR 127 Ca 0.10 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 2qub s TYR 127 Cb -0.11 -0.86 0.18 0.00 -0.40 0.00 0.00 41.96 40.77 2qub s TYR 127 CO 0.00 0.16 1.11 -0.40 -1.57 0.00 0.00 175.55 174.84 2qub n ASP 128 N 1.10 0.31 0.23 2.29 5.68 -0.24 -4.90 116.55 121.02 2qub n ASP 128 Ca -0.20 -1.54 0.16 0.00 -0.50 0.00 0.00 54.79 52.71 2qub n ASP 128 Cb 0.54 -0.82 0.79 0.00 -1.14 0.00 0.00 41.12 40.49 2qub n ASP 128 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2qub h SER 129 N -1.32 0.00 -0.25 -1.12 4.64 -2.02 -1.71 113.55 111.77 2qub h SER 129 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2qub h SER 129 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2qub h SER 129 CO 0.27 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.61 2qub n GLU 130 N -2.62 2.24 -0.51 4.77 1.02 -1.26 -4.96 120.64 119.31 2qub n GLU 130 Ca -0.01 -2.04 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 2qub n GLU 130 Cb 0.11 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2qub n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qub n GLY 131 N 1.28 0.75 3.77 0.62 0.00 -0.64 -5.06 105.19 105.90 2qub n GLY 131 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2qub n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 132 N -2.30 7.49 0.06 1.61 0.01 -1.26 -4.81 114.94 115.74 2qub s ASN 132 Ca 0.00 1.80 -0.31 0.00 -0.71 0.00 0.00 52.86 53.64 2qub s ASN 132 Cb 0.00 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 39.04 2qub s ASN 132 CO 0.00 0.14 1.28 -0.22 -1.51 0.00 0.00 177.10 176.79 2qub s LEU 133 N -1.33 4.36 -0.01 0.60 2.96 -1.26 -1.08 118.68 122.91 2qub s LEU 133 Ca 0.40 2.11 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 2qub s LEU 133 Cb -0.23 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 2qub s LEU 133 CO 0.28 -0.57 0.07 0.35 -1.32 0.00 0.00 176.35 175.16 2qub n THR 134 N 4.08 0.03 -3.52 3.68 -2.24 0.02 -4.92 114.28 111.40 2qub n THR 134 Ca 0.10 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 2qub n THR 134 Cb 0.45 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 2qub n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qub s ALA 135 N -2.21 -1.51 0.02 6.98 0.00 -1.21 -4.95 121.76 118.88 2qub s ALA 135 Ca -0.01 0.76 0.07 0.00 0.00 0.00 0.00 51.96 52.78 2qub s ALA 135 Cb 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 2qub s ALA 135 CO 0.14 -0.54 -0.21 0.42 0.00 0.00 0.00 175.76 175.56 2qub s ILE 136 N -2.45 1.71 -0.06 0.00 1.01 -0.62 -1.29 121.20 119.51 2qub s ILE 136 Ca -0.05 -1.11 0.04 0.00 0.00 0.00 0.00 60.65 59.53 2qub s ILE 136 Cb -0.01 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 41.00 2qub s ILE 136 CO -0.02 0.32 -0.18 -0.83 0.00 0.00 0.00 174.94 174.24 2qub s GLY 137 N -0.92 0.98 -0.14 6.18 0.00 0.02 -0.87 107.32 112.57 2qub s GLY 137 Ca 0.08 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2qub s GLY 137 CO 0.01 -0.25 -0.18 -0.42 0.00 0.00 0.00 173.10 172.26 2qub s ILE 138 N 0.23 1.79 -0.05 0.90 1.01 -0.14 -0.69 121.20 124.25 2qub s ILE 138 Ca -0.09 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.80 2qub s ILE 138 Cb -0.14 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.71 2qub s ILE 138 CO 0.04 0.50 -0.15 -0.55 0.00 0.00 0.00 174.94 174.77 2qub s SER 139 N 1.11 2.00 -0.13 3.58 0.15 -0.53 -0.92 113.70 118.96 2qub s SER 139 Ca -0.02 -0.33 -0.04 0.00 0.70 0.00 0.00 55.95 56.26 2qub s SER 139 Cb -0.14 -0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 63.47 2qub s SER 139 CO -0.06 0.11 0.01 -0.36 1.20 0.00 0.00 173.24 174.14 2qub s PHE 140 N 0.22 3.15 0.34 3.44 0.08 -0.62 -0.39 117.98 124.21 2qub s PHE 140 Ca -0.07 0.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.75 2qub s PHE 140 Cb -0.12 -1.91 -0.10 0.00 -0.57 0.00 0.00 43.02 40.32 2qub s PHE 140 CO 0.03 0.25 0.99 0.50 -0.10 0.00 0.00 175.22 176.89 2qub s ARG 141 N -0.21 4.46 0.00 0.44 3.52 -0.59 -3.83 118.95 122.74 2qub s ARG 141 Ca 0.06 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.07 2qub s ARG 141 Cb -0.12 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 2qub s ARG 141 CO 0.02 0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 2qub n GLY 142 N 0.52 -0.92 3.70 8.12 0.00 -1.21 -3.27 105.19 112.13 2qub n GLY 142 Ca 0.03 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 2qub n GLY 142 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qub n THR 143 N -0.96 0.22 0.00 2.61 -1.04 -1.26 -4.77 114.28 109.08 2qub n THR 143 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2qub n THR 143 Cb 0.00 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 2qub n THR 143 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2qub n SER 144 N 4.93 0.00 -1.50 8.00 3.41 -1.26 -5.06 113.62 122.14 2qub n SER 144 Ca 0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.76 2qub n SER 144 Cb 0.35 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 2qub n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qub n GLY 145 N -1.49 1.83 3.60 5.00 0.00 -1.26 -4.76 105.19 108.11 2qub n GLY 145 Ca 0.00 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 2qub n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qub n PRO 146 N -0.15 1.19 -0.30 1.61 -0.02 -1.26 -4.73 135.00 131.33 2qub n PRO 146 Ca -0.02 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 2qub n PRO 146 Cb 0.16 -2.03 0.34 0.00 -0.02 0.00 0.00 33.50 31.96 2qub n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qub h ARG 147 N 1.23 0.74 0.00 -0.52 3.08 -1.98 -1.69 114.38 115.25 2qub h ARG 147 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2qub h ARG 147 Cb 1.35 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2qub h ARG 147 CO 0.55 0.49 0.00 0.93 -1.07 0.00 0.00 179.97 180.87 2qub h GLU 148 N 0.77 0.00 -0.28 0.04 3.07 -1.90 -3.05 114.58 113.22 2qub h GLU 148 Ca 0.48 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.11 2qub h GLU 148 Cb 0.71 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.23 2qub h GLU 148 CO -0.24 0.00 -1.06 -1.13 -1.40 0.00 0.00 179.01 175.18 2qub n SER 149 N -2.34 1.53 -0.07 1.42 3.41 -0.69 -4.99 113.62 111.89 2qub n SER 149 Ca 0.01 -2.15 -0.10 0.00 -0.26 0.00 0.00 58.87 56.37 2qub n SER 149 Cb 0.17 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2qub n SER 149 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2qub h LEU 150 N 1.98 0.31 0.02 1.04 5.85 -1.30 -1.47 115.31 121.74 2qub h LEU 150 Ca -0.14 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2qub h LEU 150 Cb 1.50 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2qub h LEU 150 CO 0.17 0.25 -0.01 0.40 -0.34 0.00 0.00 178.44 178.91 2qub h ILE 151 N 0.34 1.31 -0.90 4.05 2.04 -1.88 -0.72 117.51 121.75 2qub h ILE 151 Ca 0.09 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2qub h ILE 151 Cb -0.01 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 2qub h ILE 151 CO -0.02 0.27 0.51 1.23 0.00 0.00 0.00 178.15 180.15 2qub h GLY 152 N -0.50 1.33 0.98 5.37 0.00 -1.99 -1.45 103.07 106.81 2qub h GLY 152 Ca -0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 2qub h GLY 152 CO 0.01 0.56 -0.07 -1.80 0.00 0.00 0.00 176.54 175.23 2qub h ASP 153 N 1.25 0.79 -0.82 0.19 3.58 -1.19 -2.74 116.42 117.47 2qub h ASP 153 Ca 0.32 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2qub h ASP 153 Cb -0.00 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.80 2qub h ASP 153 CO -0.05 0.95 0.41 0.74 -2.88 0.00 0.00 179.24 178.41 2qub h THR 154 N 0.61 1.25 -0.67 2.25 2.02 -0.83 -2.11 112.91 115.42 2qub h THR 154 Ca 0.11 -0.68 0.06 0.00 0.77 0.00 0.00 66.41 66.66 2qub h THR 154 Cb 0.59 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 2qub h THR 154 CO 0.04 0.30 0.38 0.40 0.37 0.00 0.00 175.52 177.00 2qub h ILE 155 N 1.15 0.97 -0.75 3.11 2.04 -1.13 0.40 117.51 123.30 2qub h ILE 155 Ca 0.28 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2qub h ILE 155 Cb 0.10 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 2qub h ILE 155 CO -0.04 0.13 0.43 1.23 0.00 0.00 0.00 178.15 179.90 2qub h GLY 156 N 0.70 1.12 1.01 5.37 0.00 -1.16 -1.86 103.07 108.25 2qub h GLY 156 Ca 0.30 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 2qub h GLY 156 CO -0.18 0.48 0.14 -0.55 0.00 0.00 0.00 176.54 176.42 2qub h ASP 157 N 1.04 0.86 -0.23 0.19 3.32 -0.73 -2.63 116.42 118.24 2qub h ASP 157 Ca 0.27 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2qub h ASP 157 Cb 0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2qub h ASP 157 CO -0.05 0.87 0.00 0.58 -1.72 0.00 0.00 179.24 178.93 2qub h VAL 158 N 0.81 1.19 -0.44 -1.35 2.07 -0.60 0.20 116.25 118.13 2qub h VAL 158 Ca 0.18 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2qub h VAL 158 Cb 0.35 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2qub h VAL 158 CO 0.00 0.26 0.14 0.40 0.02 0.00 0.00 177.57 178.39 2qub h ILE 159 N 0.50 1.22 -0.30 4.57 2.04 -1.14 -0.38 117.51 124.02 2qub h ILE 159 Ca 0.11 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2qub h ILE 159 Cb 0.32 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2qub h ILE 159 CO 0.01 0.26 0.20 0.78 0.00 0.00 0.00 178.15 179.40 2qub h ASN 160 N 0.57 0.35 -0.51 1.72 -0.26 -1.02 -1.54 115.58 114.88 2qub h ASN 160 Ca 0.14 -0.02 0.08 0.00 -0.56 0.00 0.00 56.30 55.94 2qub h ASN 160 Cb 0.26 -0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 37.37 2qub h ASN 160 CO -0.01 0.26 0.16 0.44 -1.06 0.00 0.00 177.43 177.23 2qub h ASP 161 N 0.41 0.14 -0.45 5.81 3.32 -0.37 -1.37 116.42 123.90 2qub h ASP 161 Ca 0.11 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 2qub h ASP 161 Cb -0.04 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2qub h ASP 161 CO -0.02 0.10 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.37 2qub h LEU 162 N 0.33 0.95 -1.12 1.55 3.38 -0.89 -2.46 115.31 117.05 2qub h LEU 162 Ca 0.25 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2qub h LEU 162 Cb 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2qub h LEU 162 CO -0.27 1.09 -0.15 -0.07 0.09 0.00 0.00 178.44 179.12 2qub h LEU 163 N 0.83 0.42 -0.73 1.67 3.38 -0.97 0.38 115.31 120.29 2qub h LEU 163 Ca 0.12 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2qub h LEU 163 Cb 0.70 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2qub h LEU 163 CO 0.05 0.60 0.06 0.00 0.09 0.00 0.00 178.44 179.24 2qub h ALA 164 N 1.44 0.94 0.19 1.53 0.00 -0.94 0.28 119.26 122.69 2qub h ALA 164 Ca 0.07 -0.28 -0.35 0.00 0.00 0.00 0.00 54.91 54.36 2qub h ALA 164 Cb 0.51 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2qub h ALA 164 CO 0.03 0.65 -1.71 0.78 0.00 0.00 0.00 179.25 179.00 2qub h GLY 165 N 1.02 0.45 0.00 0.00 0.00 -1.15 -3.42 103.07 99.98 2qub h GLY 165 Ca 0.19 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 46.36 2qub h GLY 165 CO 0.02 1.01 0.00 0.69 0.00 0.00 0.00 176.54 178.26 2qub n PHE 166 N -3.59 0.00 -1.45 5.60 3.72 0.13 -4.60 117.46 117.27 2qub n PHE 166 Ca -0.23 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 2qub n PHE 166 Cb 1.08 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 2qub n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qub n GLY 167 N -0.27 1.87 3.76 1.37 0.00 0.09 -4.94 105.19 107.06 2qub n GLY 167 Ca 0.00 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 2qub n GLY 167 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qub s PRO 168 N 3.44 3.52 0.41 1.61 0.02 -1.26 -4.95 135.00 137.79 2qub s PRO 168 Ca 0.00 1.97 -0.26 0.00 0.02 0.00 0.00 61.00 62.73 2qub s PRO 168 Cb 0.00 -2.36 -0.09 0.00 0.02 0.00 0.00 34.50 32.07 2qub s PRO 168 CO 0.00 -0.80 1.40 0.15 -0.33 0.00 0.00 177.00 177.41 2qub s LYS 169 N -2.76 3.90 0.00 5.54 1.02 -1.26 -2.29 119.74 123.89 2qub s LYS 169 Ca 0.66 2.36 0.00 0.00 0.02 0.00 0.00 55.97 59.02 2qub s LYS 169 Cb -0.34 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2qub s LYS 169 CO 0.40 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 2qub n GLY 170 N 0.59 0.92 0.06 -3.33 0.00 -1.26 -4.95 105.19 97.22 2qub n GLY 170 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 2qub n GLY 170 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qub h TYR 171 N 0.00 0.06 -0.59 1.61 3.20 -1.79 -2.03 116.97 117.43 2qub h TYR 171 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2qub h TYR 171 Cb 0.00 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2qub h TYR 171 CO 0.00 0.15 0.38 0.00 -1.64 0.00 0.00 178.16 177.05 2qub h ALA 172 N 0.90 0.76 -0.78 1.82 0.00 -1.84 -2.16 119.26 117.96 2qub h ALA 172 Ca 0.01 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2qub h ALA 172 Cb 0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2qub h ALA 172 CO -0.00 0.14 0.52 -0.44 0.00 0.00 0.00 179.25 179.47 2qub h ASP 173 N 0.76 0.44 0.86 0.00 3.32 -1.88 -2.56 116.42 117.36 2qub h ASP 173 Ca 0.23 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2qub h ASP 173 Cb -0.04 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2qub h ASP 173 CO -0.07 0.23 -0.35 0.61 -1.72 0.00 0.00 179.24 177.94 2qub n GLY 174 N -1.50 -1.42 0.24 2.75 0.00 -0.78 -4.54 105.19 99.93 2qub n GLY 174 Ca 0.15 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2qub n GLY 174 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qub h TYR 175 N 0.00 -0.54 -0.14 1.61 5.03 -1.27 -1.17 116.97 120.49 2qub h TYR 175 Ca 0.00 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.19 2qub h TYR 175 Cb 0.60 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 2qub h TYR 175 CO 0.00 -0.29 -0.51 1.15 -1.32 0.00 0.00 178.16 177.19 2qub h THR 176 N -0.32 1.34 -0.39 1.81 2.02 -1.81 -0.04 112.91 115.52 2qub h THR 176 Ca 0.06 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.46 2qub h THR 176 Cb 0.41 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2qub h THR 176 CO -0.20 0.53 0.11 0.25 0.37 0.00 0.00 175.52 176.58 2qub h LEU 177 N 0.29 0.58 -0.37 2.58 5.85 -1.75 0.48 115.31 122.98 2qub h LEU 177 Ca 0.01 -0.22 -0.18 0.00 0.84 0.00 0.00 57.88 58.33 2qub h LEU 177 Cb 1.00 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2qub h LEU 177 CO 0.09 0.65 -0.60 0.11 -0.34 0.00 0.00 178.44 178.35 2qub h LYS 178 N 0.49 0.71 -0.04 1.25 1.57 -1.02 -1.37 116.57 118.16 2qub h LYS 178 Ca 0.12 -0.47 -0.17 0.00 -1.87 0.00 0.00 60.65 58.26 2qub h LYS 178 Cb 0.28 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.67 2qub h LYS 178 CO -0.00 1.10 -0.64 0.00 -0.57 0.00 0.00 179.45 179.33 2qub h ALA 179 N 0.80 0.13 0.00 3.86 0.00 -0.96 -3.25 119.26 119.83 2qub h ALA 179 Ca -0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 2qub h ALA 179 Cb 1.18 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2qub h ALA 179 CO 0.12 0.42 -0.53 1.19 0.00 0.00 0.00 179.25 180.46 2qub n PHE 180 N -4.16 0.00 -0.18 0.00 3.72 0.15 -0.45 117.46 116.55 2qub n PHE 180 Ca -0.10 -0.42 -0.01 0.00 -0.05 0.00 0.00 57.45 56.87 2qub n PHE 180 Cb 0.69 -0.11 0.09 0.00 -0.94 0.00 0.00 39.48 39.21 2qub n PHE 180 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qub h GLY 181 N 0.31 0.75 0.70 1.37 0.00 -1.21 -0.82 103.07 104.15 2qub h GLY 181 Ca -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2qub h GLY 181 CO 0.02 -0.04 -0.11 -0.57 0.00 0.00 0.00 176.54 175.85 2qub h ASN 182 N 0.33 0.29 -0.56 0.19 -1.24 -1.90 -2.65 115.58 110.05 2qub h ASN 182 Ca 0.28 -0.47 0.10 0.00 0.71 0.00 0.00 56.30 56.92 2qub h ASN 182 Cb 0.36 -0.08 -0.08 0.00 0.73 0.00 0.00 38.32 39.25 2qub h ASN 182 CO -0.31 0.71 0.14 0.25 -1.29 0.00 0.00 177.43 176.93 2qub h LEU 183 N -0.11 0.06 -1.23 0.34 5.85 -1.88 -1.47 115.31 116.86 2qub h LEU 183 Ca 0.02 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2qub h LEU 183 Cb 0.62 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2qub h LEU 183 CO 0.03 0.05 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.76 2qub h LEU 184 N 0.29 0.06 -0.40 2.25 3.38 -1.11 0.17 115.31 119.95 2qub h LEU 184 Ca 0.29 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2qub h LEU 184 Cb 0.40 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2qub h LEU 184 CO -0.35 0.41 0.07 1.23 0.09 0.00 0.00 178.44 179.89 2qub h GLY 185 N 1.08 0.71 1.01 0.83 0.00 -1.02 -2.10 103.07 103.58 2qub h GLY 185 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2qub h GLY 185 CO 0.05 0.44 0.29 -0.55 0.00 0.00 0.00 176.54 176.77 2qub h ASP 186 N 0.51 0.91 -0.91 0.19 3.32 -0.56 -2.43 116.42 117.47 2qub h ASP 186 Ca 0.12 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2qub h ASP 186 Cb 0.36 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2qub h ASP 186 CO 0.01 0.82 0.51 0.58 -1.72 0.00 0.00 179.24 179.44 2qub h VAL 187 N 0.95 1.26 -0.61 -1.35 2.07 -0.94 -1.43 116.25 116.19 2qub h VAL 187 Ca 0.23 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 2qub h VAL 187 Cb 0.17 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 2qub h VAL 187 CO -0.02 0.28 0.17 0.00 0.02 0.00 0.00 177.57 178.01 2qub h ALA 188 N 1.30 0.80 -0.59 1.67 0.00 -1.14 0.20 119.26 121.50 2qub h ALA 188 Ca 0.32 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2qub h ALA 188 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qub h ALA 188 CO -0.05 0.49 -0.02 0.87 0.00 0.00 0.00 179.25 180.54 2qub h LYS 189 N 0.88 1.06 -0.25 0.00 1.57 -1.23 -1.35 116.57 117.24 2qub h LYS 189 Ca 0.19 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2qub h LYS 189 Cb 0.33 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2qub h LYS 189 CO -0.00 1.04 0.16 0.35 -0.57 0.00 0.00 179.45 180.43 2qub h PHE 190 N 0.95 0.33 -0.30 -1.35 3.57 -1.05 -1.06 116.94 118.04 2qub h PHE 190 Ca 0.17 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.69 2qub h PHE 190 Cb 0.58 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2qub h PHE 190 CO 0.04 0.24 0.14 0.00 -2.23 0.00 0.00 178.31 176.50 2qub h ALA 191 N 1.06 0.36 -0.93 2.41 0.00 -0.79 -2.68 119.26 118.68 2qub h ALA 191 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qub h ALA 191 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2qub h ALA 191 CO -0.02 -0.25 0.57 1.96 0.00 0.00 0.00 179.25 181.52 2qub h GLN 192 N 0.30 1.26 0.00 0.00 4.20 -1.03 -0.75 115.11 119.09 2qub h GLN 192 Ca 0.12 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2qub h GLN 192 Cb 0.05 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 2qub h GLN 192 CO -0.09 0.87 -0.03 0.00 -0.67 0.00 0.00 178.83 178.92 2qub h ALA 193 N 1.35 1.25 -0.54 3.87 0.00 -0.88 -1.64 119.26 122.67 2qub h ALA 193 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qub h ALA 193 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qub h ALA 193 CO -0.06 0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 2qub n HIS 194 N -3.49 1.37 -1.23 0.00 8.25 -0.39 -4.96 115.22 114.78 2qub n HIS 194 Ca -0.02 -0.66 -0.08 0.00 -0.26 0.00 0.00 57.72 56.70 2qub n HIS 194 Cb 0.13 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 2qub n HIS 194 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qub n GLY 195 N 0.73 0.97 3.92 -1.41 0.00 -0.62 -4.93 105.19 103.85 2qub n GLY 195 Ca 0.24 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2qub n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qub s LEU 196 N -1.80 4.25 0.00 0.99 1.43 -0.59 -5.01 118.68 117.94 2qub s LEU 196 Ca 0.00 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2qub s LEU 196 Cb 0.00 -3.17 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 2qub s LEU 196 CO 0.00 -0.01 0.00 -1.54 0.23 0.00 0.00 176.35 175.03 2qub n SER 197 N -0.48 3.25 -0.30 2.29 3.41 -1.26 -3.90 113.62 116.63 2qub n SER 197 Ca -0.04 -3.09 0.09 0.00 -0.26 0.00 0.00 58.87 55.56 2qub n SER 197 Cb 0.53 0.36 0.31 0.00 -0.26 0.00 0.00 64.21 65.15 2qub n SER 197 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qub h GLY 198 N 1.16 1.34 2.00 5.00 0.00 -1.92 -0.73 103.07 109.92 2qub h GLY 198 Ca -0.39 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.58 2qub h GLY 198 CO 0.65 0.15 0.00 1.18 0.00 0.00 0.00 176.54 178.52 2qub n GLU 199 N -4.56 0.00 -0.29 4.80 1.02 -1.25 -1.75 120.64 118.60 2qub n GLU 199 Ca 0.17 0.34 0.07 0.00 -0.02 0.00 0.00 57.16 57.72 2qub n GLU 199 Cb 0.38 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.51 2qub n GLU 199 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2qub n ASP 200 N -1.51 2.79 -4.34 1.62 8.00 -0.28 -4.76 116.55 118.07 2qub n ASP 200 Ca 0.02 -2.09 -0.33 0.00 0.71 0.00 0.00 54.79 53.11 2qub n ASP 200 Cb 0.11 -0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 40.69 2qub n ASP 200 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qub s VAL 201 N -1.48 2.75 -0.15 2.53 1.01 -0.72 -1.58 120.40 122.76 2qub s VAL 201 Ca 0.33 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2qub s VAL 201 Cb 0.18 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2qub s VAL 201 CO 0.20 0.54 -0.03 0.54 0.00 0.00 0.00 175.10 176.36 2qub s VAL 202 N 0.22 3.99 -0.12 2.92 0.11 -0.05 -1.44 120.40 126.03 2qub s VAL 202 Ca -0.10 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 2qub s VAL 202 Cb -0.16 -2.75 -0.00 0.00 -1.53 0.00 0.00 36.38 31.94 2qub s VAL 202 CO 0.06 0.49 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.43 2qub s VAL 203 N 0.31 2.37 0.34 2.04 1.01 -0.22 -0.97 120.40 125.29 2qub s VAL 203 Ca -0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2qub s VAL 203 Cb -0.14 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2qub s VAL 203 CO 0.03 0.54 0.50 -0.55 0.00 0.00 0.00 175.10 175.62 2qub s SER 204 N 0.47 0.76 0.00 3.32 0.15 -0.10 -1.37 113.70 116.93 2qub s SER 204 Ca -0.14 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.10 2qub s SER 204 Cb -0.17 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2qub s SER 204 CO 0.06 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 173.78 2qub n GLY 205 N -0.55 2.81 3.14 9.45 0.00 -1.25 -1.59 105.19 117.20 2qub n GLY 205 Ca -0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 2qub n GLY 205 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qub s HIS 206 N -2.00 1.68 0.00 1.61 2.46 -1.25 -1.00 115.29 116.79 2qub s HIS 206 Ca 0.00 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.08 2qub s HIS 206 Cb 0.00 -1.13 0.00 0.00 -0.13 0.00 0.00 32.58 31.32 2qub s HIS 206 CO 0.00 -0.14 0.00 0.45 -2.47 0.00 0.00 174.74 172.58 2qub n SER 207 N 3.05 0.00 0.03 9.88 2.88 -0.14 -1.00 113.62 128.32 2qub n SER 207 Ca -0.17 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 2qub n SER 207 Cb 0.53 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.53 2qub n SER 207 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2qub h LEU 208 N 0.00 0.26 -1.13 2.46 5.85 -1.85 0.93 115.31 121.83 2qub h LEU 208 Ca 0.00 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2qub h LEU 208 Cb 0.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2qub h LEU 208 CO 0.00 0.17 -0.12 1.23 -0.34 0.00 0.00 178.44 179.39 2qub h GLY 209 N 0.30 0.51 1.31 3.75 0.00 -1.05 -1.13 103.07 106.76 2qub h GLY 209 Ca 0.18 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 2qub h GLY 209 CO -0.04 0.32 -0.41 -1.33 0.00 0.00 0.00 176.54 175.08 2qub h GLY 210 N 0.90 0.83 0.65 4.60 0.00 -0.89 -2.03 103.07 107.13 2qub h GLY 210 Ca 0.08 -0.85 0.06 0.00 0.00 0.00 0.00 47.33 46.63 2qub h GLY 210 CO 0.03 0.77 0.37 -2.00 0.00 0.00 0.00 176.54 175.70 2qub h LEU 211 N 0.62 0.54 -1.25 3.11 6.46 -0.85 -2.18 115.31 121.76 2qub h LEU 211 Ca 0.05 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 2qub h LEU 211 Cb 0.97 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2qub h LEU 211 CO 0.09 0.34 -0.14 0.00 -0.62 0.00 0.00 178.44 178.12 2qub h ALA 212 N 1.36 1.38 -0.10 1.25 0.00 -0.93 0.07 119.26 122.29 2qub h ALA 212 Ca 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qub h ALA 212 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qub h ALA 212 CO -0.19 0.43 0.03 0.28 0.00 0.00 0.00 179.25 179.79 2qub h VAL 213 N 0.32 1.17 -0.81 0.00 2.07 -0.97 -0.82 116.25 117.21 2qub h VAL 213 Ca 0.06 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2qub h VAL 213 Cb 0.44 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2qub h VAL 213 CO 0.03 0.15 0.42 0.78 0.02 0.00 0.00 177.57 178.97 2qub h ASN 214 N -0.03 1.03 -0.24 0.57 2.35 -1.03 -1.91 115.58 116.31 2qub h ASN 214 Ca 0.03 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2qub h ASN 214 Cb 0.21 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2qub h ASN 214 CO -0.00 0.85 0.13 -1.28 -1.65 0.00 0.00 177.43 175.47 2qub h SER 215 N 1.14 0.31 -0.28 5.81 0.87 -0.90 -0.79 113.55 119.72 2qub h SER 215 Ca 0.28 -0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2qub h SER 215 Cb 0.07 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 2qub h SER 215 CO -0.04 0.33 0.13 -0.03 -0.53 0.00 0.00 176.83 176.69 2qub h MET 216 N 0.27 0.27 -0.62 2.24 1.85 -0.93 -2.16 114.93 115.85 2qub h MET 216 Ca 0.08 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 59.25 2qub h MET 216 Cb 0.09 -0.06 -0.07 0.00 0.43 0.00 0.00 31.60 31.99 2qub h MET 216 CO -0.01 0.18 0.25 0.00 -0.40 0.00 0.00 176.91 176.93 2qub h ALA 217 N 1.14 0.81 0.00 0.39 0.00 -1.22 -1.25 119.26 119.14 2qub h ALA 217 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2qub h ALA 217 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qub h ALA 217 CO -0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 179.25 178.93 2qub h ALA 218 N 1.41 1.48 -0.01 0.00 0.00 -0.66 -2.40 119.26 119.08 2qub h ALA 218 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qub h ALA 218 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qub h ALA 218 CO -0.29 0.10 -0.43 1.04 0.00 0.00 0.00 179.25 179.67 2qub n GLN 219 N -3.88 1.15 0.22 0.00 1.13 -0.58 -4.63 117.38 110.80 2qub n GLN 219 Ca -0.02 -0.91 0.11 0.00 -1.94 0.00 0.00 57.00 54.23 2qub n GLN 219 Cb 0.17 -1.48 0.34 0.00 0.11 0.00 0.00 30.24 29.38 2qub n GLN 219 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qub h SER 220 N 2.23 0.00 -0.23 1.08 4.64 -0.73 -1.51 113.55 119.03 2qub h SER 220 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2qub h SER 220 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2qub h SER 220 CO 0.00 0.14 -0.57 0.44 -0.87 0.00 0.00 176.83 175.97 2qub h ASP 221 N 0.00 0.90 0.00 4.97 3.32 -1.82 -3.29 116.42 120.50 2qub h ASP 221 Ca -0.00 -0.56 -0.20 0.00 0.02 0.00 0.00 57.03 56.28 2qub h ASP 221 Cb 0.88 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 2qub h ASP 221 CO 0.02 1.30 -2.18 0.00 -1.72 0.00 0.00 179.24 176.66 2qub n ALA 222 N -2.57 2.06 -2.38 3.45 0.00 -1.18 -4.25 120.51 115.65 2qub n ALA 222 Ca -0.06 -0.95 -0.19 0.00 0.00 0.00 0.00 53.44 52.24 2qub n ALA 222 Cb 0.64 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2qub n ALA 222 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qub s ASN 223 N -4.98 5.90 -1.42 0.00 0.01 -0.58 -4.51 114.94 109.36 2qub s ASN 223 Ca -0.09 -0.17 -0.11 0.00 -0.71 0.00 0.00 52.86 51.78 2qub s ASN 223 Cb 0.09 -1.17 0.07 0.00 0.41 0.00 0.00 41.25 40.66 2qub s ASN 223 CO 0.83 -0.52 0.66 0.79 -1.51 0.00 0.00 177.10 177.36 2qub n TRP 224 N -1.73 -1.95 -1.56 2.20 8.01 -1.26 -1.26 117.44 119.89 2qub n TRP 224 Ca 0.01 0.62 -0.19 0.00 -1.31 0.00 0.00 57.50 56.63 2qub n TRP 224 Cb 0.58 -3.44 -0.08 0.00 -2.01 0.00 0.00 31.31 26.36 2qub n TRP 224 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qub n GLY 225 N -1.38 1.85 2.39 6.99 0.00 -1.26 -1.35 105.19 112.43 2qub n GLY 225 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2qub n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 226 N -0.32 0.39 0.31 -0.02 0.00 -0.39 -4.93 105.19 100.23 2qub n GLY 226 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2qub n GLY 226 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qub h PHE 227 N 0.00 0.77 -0.52 1.61 3.57 -1.39 -2.06 116.94 118.92 2qub h PHE 227 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2qub h PHE 227 Cb 0.27 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2qub h PHE 227 CO 0.17 0.15 0.00 0.66 -2.23 0.00 0.00 178.31 177.06 2qub n TYR 228 N -4.89 0.69 -0.27 0.41 4.01 -1.26 -3.64 117.16 112.20 2qub n TYR 228 Ca 0.18 -0.34 0.07 0.00 -0.16 0.00 0.00 57.90 57.65 2qub n TYR 228 Cb 0.48 0.00 0.31 0.00 -0.31 0.00 0.00 39.34 39.81 2qub n TYR 228 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qub h ALA 229 N 4.00 1.66 -0.42 -0.72 0.00 -1.43 -2.19 119.26 120.15 2qub h ALA 229 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qub h ALA 229 Cb 0.71 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qub h ALA 229 CO 0.00 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.46 2qub n GLN 230 N -4.52 3.66 -1.00 0.00 1.13 -1.26 -4.94 117.38 110.45 2qub n GLN 230 Ca 0.15 -2.89 -0.29 0.00 -1.94 0.00 0.00 57.00 52.02 2qub n GLN 230 Cb 0.31 -1.94 0.17 0.00 0.11 0.00 0.00 30.24 28.89 2qub n GLN 230 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2qub s SER 231 N -1.37 2.71 -0.49 1.08 0.01 -0.82 -3.95 113.70 110.87 2qub s SER 231 Ca 0.46 1.52 -0.17 0.00 1.31 0.00 0.00 55.95 59.07 2qub s SER 231 Cb 0.35 -2.19 0.07 0.00 0.21 0.00 0.00 66.02 64.46 2qub s SER 231 CO 0.14 -3.12 0.49 0.20 0.41 0.00 0.00 173.24 171.35 2qub s ASN 232 N -3.15 6.18 -0.36 2.44 0.01 -0.52 -4.97 114.94 114.57 2qub s ASN 232 Ca 0.65 -1.24 -0.14 0.00 -0.71 0.00 0.00 52.86 51.42 2qub s ASN 232 Cb -0.20 -2.22 -0.00 0.00 0.41 0.00 0.00 41.25 39.23 2qub s ASN 232 CO 0.59 -0.76 0.29 -0.31 -1.51 0.00 0.00 177.10 175.40 2qub s TYR 233 N 1.99 3.22 -0.28 2.20 2.02 -1.24 -1.05 117.35 124.21 2qub s TYR 233 Ca 0.08 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2qub s TYR 233 Cb -0.23 -2.57 0.08 0.00 -0.40 0.00 0.00 41.96 38.84 2qub s TYR 233 CO 0.08 -0.46 -0.01 0.08 -1.57 0.00 0.00 175.55 173.67 2qub s VAL 234 N 1.79 1.75 -0.14 0.71 1.01 -0.47 -1.86 120.40 123.19 2qub s VAL 234 Ca 0.07 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.36 2qub s VAL 234 Cb -0.18 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2qub s VAL 234 CO 0.11 -0.32 0.05 0.00 0.00 0.00 0.00 175.10 174.94 2qub s ALA 235 N 1.24 3.44 -0.14 5.51 0.00 -0.40 -3.90 121.76 127.52 2qub s ALA 235 Ca 0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2qub s ALA 235 Cb -0.19 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2qub s ALA 235 CO -0.09 0.38 -0.02 -0.06 0.00 0.00 0.00 175.76 175.96 2qub s PHE 236 N -0.23 3.07 -1.34 0.00 0.40 -0.17 -0.92 117.98 118.78 2qub s PHE 236 Ca 0.08 -0.13 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 2qub s PHE 236 Cb -0.12 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.52 2qub s PHE 236 CO 0.02 0.12 0.39 0.00 0.70 0.00 0.00 175.22 176.44 2qub n ALA 237 N 3.14 -0.95 -1.90 5.36 0.00 -0.12 -0.96 120.51 125.08 2qub n ALA 237 Ca -0.18 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 2qub n ALA 237 Cb 0.53 -2.79 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 2qub n ALA 237 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qub s SER 238 N -2.52 7.27 0.48 0.00 0.15 -1.26 -3.48 113.70 114.34 2qub s SER 238 Ca 0.26 2.18 0.28 0.00 0.70 0.00 0.00 55.95 59.36 2qub s SER 238 Cb -0.13 -2.62 0.90 0.00 -1.71 0.00 0.00 66.02 62.46 2qub s SER 238 CO 0.32 -0.17 1.81 1.55 1.20 0.00 0.00 173.24 177.94 2qub h PRO 239 N 4.45 0.00 -6.16 5.44 0.13 -1.78 -0.21 132.00 133.87 2qub h PRO 239 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 2qub h PRO 239 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2qub h PRO 239 CO 0.70 0.07 -0.58 0.95 -0.23 0.00 0.00 178.00 178.90 2qub s THR 240 N -3.48 3.40 -0.03 1.56 -4.23 -1.26 -0.67 115.64 110.93 2qub s THR 240 Ca 0.03 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 2qub s THR 240 Cb 0.08 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.95 2qub s THR 240 CO 0.61 -0.29 -0.08 -1.10 -0.54 0.00 0.00 174.62 173.22 2qub s GLN 241 N -3.77 0.98 -0.29 3.99 1.11 -0.33 -4.89 119.66 116.46 2qub s GLN 241 Ca 0.34 -0.26 -0.07 0.00 0.01 0.00 0.00 55.36 55.39 2qub s GLN 241 Cb -0.05 -0.91 0.01 0.00 -1.01 0.00 0.00 33.01 31.04 2qub s GLN 241 CO 0.22 0.05 0.08 -0.47 0.01 0.00 0.00 175.29 175.18 2qub s TYR 242 N 0.43 3.15 -0.08 0.91 5.04 -1.26 -4.47 117.35 121.06 2qub s TYR 242 Ca -0.07 -0.95 0.03 0.00 -2.44 0.00 0.00 57.07 53.64 2qub s TYR 242 Cb -0.11 -2.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 2qub s TYR 242 CO 0.01 -0.57 0.09 0.39 -1.34 0.00 0.00 175.55 174.14 2qub n GLU 243 N 4.87 3.98 -1.72 4.97 1.02 -1.26 -4.36 120.64 128.14 2qub n GLU 243 Ca -0.15 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.57 2qub n GLU 243 Cb 0.48 -0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 31.09 2qub n GLU 243 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qub s ALA 244 N -1.58 3.70 0.00 0.62 0.00 -1.26 -2.16 121.76 121.08 2qub s ALA 244 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2qub s ALA 244 Cb 0.02 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2qub s ALA 244 CO 0.11 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.95 2qub n GLY 245 N 4.31 1.06 3.57 0.00 0.00 -1.26 -4.47 105.19 108.40 2qub n GLY 245 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2qub n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 246 N -2.00 -0.52 0.09 -0.02 0.00 -0.92 -4.94 105.19 96.88 2qub n GLY 246 Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 2qub n GLY 246 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qub h LYS 247 N -2.60 0.00 -5.97 1.61 1.57 -1.82 -3.46 116.57 105.90 2qub h LYS 247 Ca -0.57 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.52 2qub h LYS 247 Cb 1.36 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.39 2qub h LYS 247 CO 0.55 0.51 -0.84 0.08 -0.57 0.00 0.00 179.45 179.19 2qub s VAL 248 N -2.74 2.46 -0.22 0.50 1.01 -1.26 -3.65 120.40 116.51 2qub s VAL 248 Ca -0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 2qub s VAL 248 Cb 0.08 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2qub s VAL 248 CO 0.81 0.57 0.11 -0.51 0.00 0.00 0.00 175.10 176.08 2qub s ILE 249 N -0.21 4.97 -0.44 2.22 2.07 -0.78 -4.79 121.20 124.25 2qub s ILE 249 Ca -0.01 0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.16 2qub s ILE 249 Cb -0.13 -3.29 0.08 0.00 0.13 0.00 0.00 42.46 39.25 2qub s ILE 249 CO 0.03 0.39 0.30 0.20 -1.91 0.00 0.00 174.94 173.96 2qub s ASN 250 N 0.83 5.76 -0.16 4.50 0.01 -0.23 -1.27 114.94 124.38 2qub s ASN 250 Ca 0.05 -1.50 -0.07 0.00 -0.71 0.00 0.00 52.86 50.64 2qub s ASN 250 Cb -0.13 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 2qub s ASN 250 CO 0.02 -0.58 0.07 -0.63 -1.51 0.00 0.00 177.10 174.48 2qub s ILE 251 N 1.47 4.89 0.02 0.60 1.01 -0.10 -1.72 121.20 127.37 2qub s ILE 251 Ca 0.03 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 2qub s ILE 251 Cb -0.24 -3.18 0.11 0.00 0.01 0.00 0.00 42.46 39.16 2qub s ILE 251 CO 0.03 0.50 1.24 -0.83 0.00 0.00 0.00 174.94 175.87 2qub s GLY 252 N 0.01 -0.28 -0.04 6.18 0.00 -1.26 -0.95 107.32 110.98 2qub s GLY 252 Ca 0.06 0.39 -0.14 0.00 0.00 0.00 0.00 44.72 45.03 2qub s GLY 252 CO 0.01 1.62 0.38 -0.19 0.00 0.00 0.00 173.10 174.92 2qub s TYR 253 N -2.38 3.66 0.26 1.90 2.02 -1.26 -4.50 117.35 117.05 2qub s TYR 253 Ca 0.18 0.89 0.26 0.00 -0.37 0.00 0.00 57.07 58.03 2qub s TYR 253 Cb 0.02 -2.30 1.18 0.00 -0.40 0.00 0.00 41.96 40.47 2qub s TYR 253 CO -0.02 0.55 1.94 1.05 -1.57 0.00 0.00 175.55 177.50 2qub h GLU 254 N 5.22 0.00 -0.43 -0.62 4.11 -0.95 -1.64 114.58 120.27 2qub h GLU 254 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2qub h GLU 254 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qub h GLU 254 CO 0.65 0.18 0.00 0.27 0.07 0.00 0.00 179.01 180.17 2qub n ASN 255 N -3.48 2.42 -4.58 3.06 6.94 -1.26 -4.77 115.26 113.59 2qub n ASN 255 Ca -0.01 -1.97 -0.43 0.00 -0.02 0.00 0.00 54.58 52.16 2qub n ASN 255 Cb 0.34 -0.29 -0.05 0.00 -2.36 0.00 0.00 39.78 37.43 2qub n ASN 255 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2qub s ASP 256 N -1.08 6.53 0.49 0.53 -1.08 -0.62 -4.77 116.67 116.68 2qub s ASP 256 Ca 0.31 0.25 0.32 0.00 -0.52 0.00 0.00 52.55 52.91 2qub s ASP 256 Cb 0.16 -2.42 1.39 0.00 -1.46 0.00 0.00 42.92 40.60 2qub s ASP 256 CO 0.22 -0.86 1.96 1.55 0.52 0.00 0.00 175.17 178.56 2qub h PRO 257 N 8.71 0.00 0.01 4.34 0.13 -1.86 -2.37 132.00 140.95 2qub h PRO 257 Ca -0.24 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.69 2qub h PRO 257 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2qub h PRO 257 CO 0.96 0.00 -0.88 0.28 -0.23 0.00 0.00 178.00 178.12 2qub h VAL 258 N 0.00 1.55 -2.55 1.56 2.07 -1.92 -3.40 116.25 113.55 2qub h VAL 258 Ca 0.00 -2.78 -0.55 0.00 0.82 0.00 0.00 66.70 64.19 2qub h VAL 258 Cb 0.41 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2qub h VAL 258 CO 0.00 0.80 1.17 0.12 0.02 0.00 0.00 177.57 179.68 2qub s PHE 259 N -3.11 1.81 -1.36 1.57 5.36 -0.89 -2.15 117.98 119.21 2qub s PHE 259 Ca -0.02 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2qub s PHE 259 Cb 0.10 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 2qub s PHE 259 CO 0.82 -3.89 0.00 0.54 -1.46 0.00 0.00 175.22 171.23 2qub n ARG 260 N 7.54 -0.96 0.17 10.12 1.74 -0.09 -4.91 116.66 130.26 2qub n ARG 260 Ca 0.19 0.90 0.06 0.00 -0.77 0.00 0.00 57.85 58.23 2qub n ARG 260 Cb 0.43 -5.00 0.54 0.00 -1.02 0.00 0.00 32.46 27.41 2qub n ARG 260 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qub h ALA 261 N 0.14 1.84 -2.88 7.54 0.00 -1.36 -3.42 119.26 121.12 2qub h ALA 261 Ca -0.28 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 2qub h ALA 261 Cb 0.95 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2qub h ALA 261 CO 0.39 0.14 -0.53 -0.51 0.00 0.00 0.00 179.25 178.74 2qub s LEU 262 N -9.13 4.15 -0.68 0.00 1.43 0.16 -4.05 118.68 110.56 2qub s LEU 262 Ca -0.06 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 2qub s LEU 262 Cb 0.17 -2.77 0.17 0.00 0.03 0.00 0.00 46.19 43.79 2qub s LEU 262 CO 0.70 0.14 0.63 -0.62 0.23 0.00 0.00 176.35 177.42 2qub s ASP 263 N -2.69 6.46 0.16 2.29 2.15 -0.23 -4.64 116.67 120.17 2qub s ASP 263 Ca 0.33 -2.21 0.00 0.00 0.43 0.00 0.00 52.55 51.10 2qub s ASP 263 Cb -0.12 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2qub s ASP 263 CO 0.26 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 2qub n GLY 264 N 4.65 1.90 0.00 2.66 0.00 -1.26 -1.99 105.19 111.15 2qub n GLY 264 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2qub n GLY 264 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qub n THR 265 N 0.00 0.61 -3.44 2.61 -2.24 -1.26 -1.19 114.28 109.37 2qub n THR 265 Ca 0.00 -0.61 -0.38 0.00 -2.27 0.00 0.00 64.05 60.79 2qub n THR 265 Cb 0.00 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 2qub n THR 265 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qub s SER 266 N -0.61 6.75 -0.10 3.42 0.01 -0.84 -4.95 113.70 117.38 2qub s SER 266 Ca 0.00 0.89 -0.28 0.00 1.31 0.00 0.00 55.95 57.87 2qub s SER 266 Cb 0.00 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 2qub s SER 266 CO 0.00 0.21 0.91 -0.22 0.41 0.00 0.00 173.24 174.55 2qub s LEU 267 N -0.43 4.25 0.37 2.44 2.96 -1.26 -1.07 118.68 125.94 2qub s LEU 267 Ca 0.24 1.41 0.03 0.00 -0.22 0.00 0.00 54.13 55.59 2qub s LEU 267 Cb -0.16 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2qub s LEU 267 CO 0.12 -0.36 0.10 0.42 -1.32 0.00 0.00 176.35 175.30 2qub s THR 268 N 1.74 0.83 0.16 3.68 -4.23 -1.26 -5.01 115.64 111.56 2qub s THR 268 Ca 0.45 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.81 2qub s THR 268 Cb -0.18 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.16 2qub s THR 268 CO 0.18 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.27 2qub h LEU 269 N 1.95 0.21 -2.35 4.79 5.85 -1.97 -1.46 115.31 122.33 2qub h LEU 269 Ca -0.38 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.41 2qub h LEU 269 Cb 1.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2qub h LEU 269 CO 0.62 0.16 0.19 -0.65 -0.34 0.00 0.00 178.44 178.42 2qub h PRO 270 N 0.35 0.00 -0.58 5.25 0.11 -1.94 -1.98 132.00 133.21 2qub h PRO 270 Ca 0.18 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.45 2qub h PRO 270 Cb 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 2qub h PRO 270 CO -0.16 0.00 0.41 0.77 -0.21 0.00 0.00 178.00 178.81 2qub h SER 271 N 0.00 0.06 -0.11 -2.05 0.02 -1.40 -0.85 113.55 109.22 2qub h SER 271 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2qub h SER 271 Cb 0.42 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2qub h SER 271 CO -0.00 0.03 0.00 0.18 -1.14 0.00 0.00 176.83 175.90 2qub n LEU 272 N -4.39 2.36 0.00 5.07 4.77 -0.74 -4.62 117.00 119.44 2qub n LEU 272 Ca 0.11 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 2qub n LEU 272 Cb 0.61 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2qub n LEU 272 CO 0.36 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2qub n GLY 273 N 1.28 5.09 3.70 -0.72 0.00 -0.32 -4.35 105.19 109.88 2qub n GLY 273 Ca 0.17 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2qub n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qub s VAL 274 N 3.34 4.70 -0.46 1.61 1.01 -1.25 -4.64 120.40 124.71 2qub s VAL 274 Ca 0.00 1.95 0.07 0.00 0.00 0.00 0.00 61.98 64.00 2qub s VAL 274 Cb 0.00 -4.25 0.24 0.00 0.00 0.00 0.00 36.38 32.37 2qub s VAL 274 CO 0.00 0.11 0.56 0.00 0.00 0.00 0.00 175.10 175.77 2qub n HIS 275 N 4.21 0.61 -0.75 5.22 -0.00 -1.26 -4.71 115.22 118.55 2qub n HIS 275 Ca 0.07 -3.70 0.08 0.00 -0.00 0.00 0.00 57.72 54.17 2qub n HIS 275 Cb 0.50 -0.36 0.28 0.00 -0.00 0.00 0.00 29.99 30.40 2qub n HIS 275 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2qub n ASP 276 N 1.39 4.14 -4.72 4.39 2.03 -1.26 -4.85 116.55 117.66 2qub n ASP 276 Ca 0.24 -2.70 -0.42 0.00 0.52 0.00 0.00 54.79 52.43 2qub n ASP 276 Cb 0.49 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 2qub n ASP 276 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qub s ALA 277 N -2.27 3.83 0.21 -1.67 0.00 -1.26 -4.70 121.76 115.90 2qub s ALA 277 Ca 0.42 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.55 2qub s ALA 277 Cb 0.31 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2qub s ALA 277 CO 0.14 -0.85 1.24 -1.25 0.00 0.00 0.00 175.76 175.04 2qub s PRO 278 N 0.96 4.46 0.02 0.00 0.04 -1.26 -5.03 135.00 134.18 2qub s PRO 278 Ca 0.71 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2qub s PRO 278 Cb -0.46 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 2qub s PRO 278 CO 0.33 -0.13 0.10 -1.01 0.04 0.00 0.00 177.00 176.33 2qub s HIS 279 N -0.20 3.30 0.36 0.56 3.76 -1.26 -5.03 115.29 116.78 2qub s HIS 279 Ca 0.53 0.19 0.05 0.00 -0.15 0.00 0.00 55.06 55.68 2qub s HIS 279 Cb -0.35 -1.72 0.68 0.00 1.11 0.00 0.00 32.58 32.30 2qub s HIS 279 CO 0.39 0.55 1.95 1.79 -0.85 0.00 0.00 174.74 178.57 2qub h THR 280 N 2.94 1.17 -0.00 1.30 1.35 -2.02 -2.40 112.91 115.25 2qub h THR 280 Ca -0.48 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2qub h THR 280 Cb 1.18 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2qub h THR 280 CO 0.65 0.20 -0.16 -1.54 -0.25 0.00 0.00 175.52 174.42 2qub n SER 281 N -4.36 0.30 -4.80 5.36 3.41 -1.26 -4.94 113.62 107.32 2qub n SER 281 Ca 0.03 -0.12 -0.31 0.00 -0.26 0.00 0.00 58.87 58.21 2qub n SER 281 Cb 0.16 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 2qub n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qub s ALA 282 N -2.78 3.64 -0.61 7.33 0.00 -0.90 -1.06 121.76 127.37 2qub s ALA 282 Ca 0.20 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.91 2qub s ALA 282 Cb 0.19 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.83 2qub s ALA 282 CO 0.55 0.76 1.19 0.95 0.00 0.00 0.00 175.76 179.21 2qub s THR 283 N -1.39 3.98 -1.08 0.00 -4.23 -0.70 -4.79 115.64 107.43 2qub s THR 283 Ca 0.30 0.74 0.25 0.00 -1.18 0.00 0.00 61.69 61.80 2qub s THR 283 Cb -0.12 -4.76 0.04 0.00 1.34 0.00 0.00 72.50 69.00 2qub s THR 283 CO 0.22 -1.44 1.45 0.59 -0.54 0.00 0.00 174.62 174.90 2qub n ASN 284 N 8.57 0.54 -2.35 3.99 3.02 -1.26 -4.43 115.26 123.34 2qub n ASN 284 Ca 0.07 -0.29 -0.03 0.00 -0.03 0.00 0.00 54.58 54.29 2qub n ASN 284 Cb 0.49 0.21 0.05 0.00 -0.61 0.00 0.00 39.78 39.92 2qub n ASN 284 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qub n ASN 285 N -1.41 2.09 -4.65 6.41 3.02 -1.26 -4.70 115.26 114.75 2qub n ASN 285 Ca 0.06 -2.42 -0.37 0.00 -0.03 0.00 0.00 54.58 51.81 2qub n ASN 285 Cb 0.34 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 2qub n ASN 285 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qub s ILE 286 N -3.28 5.27 -0.20 2.41 1.01 -1.26 -1.96 121.20 123.19 2qub s ILE 286 Ca 0.33 0.42 -0.10 0.00 0.00 0.00 0.00 60.65 61.30 2qub s ILE 286 Cb 0.35 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 2qub s ILE 286 CO -0.05 0.28 0.14 -0.69 0.00 0.00 0.00 174.94 174.63 2qub s VAL 287 N 1.31 5.40 -0.85 2.92 1.01 0.97 -0.31 120.40 130.84 2qub s VAL 287 Ca 0.13 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.11 2qub s VAL 287 Cb -0.14 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 32.85 2qub s VAL 287 CO 0.07 0.42 1.12 0.21 0.00 0.00 0.00 175.10 176.92 2qub s ASN 288 N 0.47 6.45 -1.14 3.32 3.84 -1.26 -1.16 114.94 125.45 2qub s ASN 288 Ca 0.08 -1.59 -0.20 0.00 0.21 0.00 0.00 52.86 51.37 2qub s ASN 288 Cb -0.11 -2.43 0.08 0.00 -0.55 0.00 0.00 41.25 38.23 2qub s ASN 288 CO -0.01 -1.27 1.54 0.12 -2.79 0.00 0.00 177.10 174.69 2qub s PHE 289 N 3.52 2.77 0.48 0.43 5.36 -0.29 -4.74 117.98 125.51 2qub s PHE 289 Ca 0.31 -1.32 0.02 0.00 -0.96 0.00 0.00 56.93 54.98 2qub s PHE 289 Cb -0.08 -4.65 0.02 0.00 -0.34 0.00 0.00 43.02 37.97 2qub s PHE 289 CO -0.03 -1.80 0.17 0.27 -1.46 0.00 0.00 175.22 172.38 2qub n ASN 290 N 8.20 2.97 0.03 6.13 0.23 -1.26 -0.31 115.26 131.24 2qub n ASN 290 Ca 0.39 -2.89 0.03 0.00 -0.53 0.00 0.00 54.58 51.59 2qub n ASN 290 Cb 0.48 0.16 0.42 0.00 -2.08 0.00 0.00 39.78 38.76 2qub n ASN 290 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qub h ASP 291 N 0.87 0.42 -0.06 0.53 5.19 -1.92 -0.89 116.42 120.56 2qub h ASP 291 Ca -0.35 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.01 2qub h ASP 291 Cb 1.16 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 2qub h ASP 291 CO 0.57 0.35 -0.05 -0.74 -3.12 0.00 0.00 179.24 176.25 2qub h HIS 292 N 0.48 0.18 -0.94 4.55 2.76 -1.94 -2.89 115.15 117.34 2qub h HIS 292 Ca 0.12 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2qub h HIS 292 Cb 0.04 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 2qub h HIS 292 CO 0.00 0.58 0.61 -0.92 -1.30 0.00 0.00 177.93 176.90 2qub h TYR 293 N -0.27 1.15 0.00 5.26 3.20 -1.74 -2.46 116.97 122.10 2qub h TYR 293 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2qub h TYR 293 Cb 0.54 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 2qub h TYR 293 CO 0.09 0.66 -0.03 0.00 -1.64 0.00 0.00 178.16 177.24 2qub h ALA 294 N 1.39 1.01 -2.14 1.82 0.00 -1.18 -3.44 119.26 116.71 2qub h ALA 294 Ca 0.38 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.65 2qub h ALA 294 Cb 0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 2qub h ALA 294 CO -0.12 0.03 0.36 0.45 0.00 0.00 0.00 179.25 179.96 2qub s SER 295 N -5.77 6.50 0.25 0.00 0.15 -0.93 -4.93 113.70 108.97 2qub s SER 295 Ca 0.01 0.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.79 2qub s SER 295 Cb 0.09 -2.39 0.32 0.00 -1.71 0.00 0.00 66.02 62.33 2qub s SER 295 CO 0.56 -0.79 1.89 0.44 1.20 0.00 0.00 173.24 176.54 2qub h ASP 296 N 8.65 1.00 -0.03 5.45 3.32 -1.87 -2.73 116.42 130.23 2qub h ASP 296 Ca -0.25 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2qub h ASP 296 Cb 1.09 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 2qub h ASP 296 CO 0.92 0.67 0.02 0.00 -1.72 0.00 0.00 179.24 179.14 2qub h ALA 297 N 1.40 0.03 -0.56 3.45 0.00 -1.95 -2.34 119.26 119.29 2qub h ALA 297 Ca 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.30 2qub h ALA 297 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2qub h ALA 297 CO -0.14 -0.47 0.37 -1.49 0.00 0.00 0.00 179.25 177.53 2qub h TRP 298 N 0.03 0.68 -0.15 0.00 4.06 -1.86 -2.41 115.95 116.30 2qub h TRP 298 Ca 0.01 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2qub h TRP 298 Cb 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 27.93 2qub h TRP 298 CO -0.08 0.42 0.00 0.09 -3.56 0.00 0.00 178.44 175.31 2qub n ASN 299 N -4.46 0.86 0.17 -3.49 3.02 -0.91 -2.34 115.26 108.10 2qub n ASN 299 Ca 0.06 -1.91 0.13 0.00 -0.03 0.00 0.00 54.58 52.83 2qub n ASN 299 Cb 0.08 -0.10 0.50 0.00 -0.61 0.00 0.00 39.78 39.65 2qub n ASN 299 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qub h LEU 300 N 0.97 0.00-10.05 3.41 3.38 -1.10 -3.44 115.31 108.48 2qub h LEU 300 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2qub h LEU 300 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2qub h LEU 300 CO 0.00 0.00 -0.04 -0.76 0.09 0.00 0.00 178.44 177.73 2qub s LEU 301 N -5.02 4.06 0.27 1.67 1.43 -0.99 -5.05 118.68 115.05 2qub s LEU 301 Ca 0.05 0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 53.84 2qub s LEU 301 Cb 0.09 -3.79 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 2qub s LEU 301 CO 0.49 -0.19 1.36 -2.16 0.23 0.00 0.00 176.35 176.09 2qub s PRO 302 N -3.21 4.32 -0.23 1.29 0.04 -1.26 -4.96 135.00 130.98 2qub s PRO 302 Ca 0.49 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 63.46 2qub s PRO 302 Cb -0.11 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 2qub s PRO 302 CO 0.24 -0.30 1.57 0.12 0.04 0.00 0.00 177.00 178.67 2qub s PHE 303 N -0.44 2.19 -0.22 0.56 5.36 -1.26 -4.80 117.98 119.37 2qub s PHE 303 Ca 0.55 0.59 -0.26 0.00 -0.96 0.00 0.00 56.93 56.85 2qub s PHE 303 Cb -0.40 -3.97 0.08 0.00 -0.34 0.00 0.00 43.02 38.39 2qub s PHE 303 CO 0.46 -2.75 0.77 0.45 -1.46 0.00 0.00 175.22 172.70 2qub s SER 304 N 4.01 -0.67 0.57 6.13 0.15 -1.26 -3.97 113.70 118.67 2qub s SER 304 Ca 0.69 1.16 0.37 0.00 0.70 0.00 0.00 55.95 58.87 2qub s SER 304 Cb -0.24 1.14 2.00 0.00 -1.71 0.00 0.00 66.02 67.21 2qub s SER 304 CO 0.28 -0.31 2.12 -0.29 1.20 0.00 0.00 173.24 176.24 2qub h ILE 305 N 3.67 0.00 -0.01 6.45 2.10 -1.82 -0.81 117.51 127.09 2qub h ILE 305 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 2qub h ILE 305 Cb 1.16 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 2qub h ILE 305 CO 0.14 0.00 -0.22 0.18 -1.08 0.00 0.00 178.15 177.17 2qub n LEU 306 N -2.82 1.01 -4.25 2.19 4.77 -1.26 -4.71 117.00 111.93 2qub n LEU 306 Ca -0.02 -0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 2qub n LEU 306 Cb 0.10 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2qub n LEU 306 CO 0.16 0.19 -0.03 0.21 -1.33 0.00 0.00 177.39 176.59 2qub s ASN 307 N -2.45 5.75 0.26 -1.43 2.47 -0.31 -5.01 114.94 114.21 2qub s ASN 307 Ca 0.26 -1.74 -0.02 0.00 0.42 0.00 0.00 52.86 51.78 2qub s ASN 307 Cb 0.19 -2.03 0.45 0.00 -1.45 0.00 0.00 41.25 38.42 2qub s ASN 307 CO 0.50 -0.66 1.81 0.40 -3.72 0.00 0.00 177.10 175.44 2qub h ILE 308 N 6.07 0.90 -0.56 -5.21 1.08 -1.84 -1.78 117.51 116.17 2qub h ILE 308 Ca -0.23 -0.29 0.16 0.00 -0.39 0.00 0.00 64.86 64.11 2qub h ILE 308 Cb 1.08 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 2qub h ILE 308 CO 0.85 0.15 0.41 -0.65 -0.69 0.00 0.00 178.15 178.22 2qub h PRO 309 N 0.84 0.00 0.00 2.37 0.11 -1.95 -0.39 132.00 132.99 2qub h PRO 309 Ca 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 2qub h PRO 309 Cb 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 2qub h PRO 309 CO -0.26 0.00 -0.00 1.79 -0.21 0.00 0.00 178.00 179.31 2qub h THR 310 N 0.00 0.02 0.00 -1.15 1.35 -1.61 -2.54 112.91 108.97 2qub h THR 310 Ca 0.26 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2qub h THR 310 Cb 1.08 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2qub h THR 310 CO -0.00 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 176.06 2qub n TRP 311 N -3.10 0.22 -0.31 4.73 7.02 -0.15 -3.09 117.44 122.75 2qub n TRP 311 Ca -0.01 0.09 0.11 0.00 -1.02 0.00 0.00 57.50 56.66 2qub n TRP 311 Cb 0.18 -0.64 0.27 0.00 -2.42 0.00 0.00 31.31 28.71 2qub n TRP 311 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2qub h LEU 312 N 0.00 0.49 0.00 -0.99 5.85 -1.63 -0.94 115.31 118.09 2qub h LEU 312 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2qub h LEU 312 Cb 0.28 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2qub h LEU 312 CO 0.00 0.14 0.00 -1.20 -0.34 0.00 0.00 178.44 177.04 2qub n SER 313 N -4.92 0.00 0.04 1.25 7.64 -1.18 -2.69 113.62 113.75 2qub n SER 313 Ca 0.20 0.17 0.11 0.00 1.01 0.00 0.00 58.87 60.36 2qub n SER 313 Cb 0.55 -0.33 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 2qub n SER 313 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2qub n HIS 314 N -1.33 0.39 -1.77 1.43 -0.00 -0.36 -4.67 115.22 108.92 2qub n HIS 314 Ca 0.06 0.11 -0.41 0.00 -0.00 0.00 0.00 57.72 57.48 2qub n HIS 314 Cb 0.12 -0.57 -0.01 0.00 -0.00 0.00 0.00 29.99 29.53 2qub n HIS 314 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2qub s LEU 315 N -4.36 4.33 0.48 0.27 1.43 -1.10 -4.88 118.68 114.85 2qub s LEU 315 Ca 0.01 3.02 0.16 0.00 -1.03 0.00 0.00 54.13 56.28 2qub s LEU 315 Cb 0.13 -3.65 1.16 0.00 0.03 0.00 0.00 46.19 43.86 2qub s LEU 315 CO 0.81 -0.92 2.06 -0.65 0.23 0.00 0.00 176.35 177.89 2qub h PRO 316 N 3.99 0.20 -0.13 1.29 0.11 -1.94 -2.10 132.00 133.43 2qub h PRO 316 Ca -0.49 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2qub h PRO 316 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2qub h PRO 316 CO 0.73 0.13 -0.20 0.27 -0.21 0.00 0.00 178.00 178.72 2qub h PHE 317 N 0.21 0.22 -0.38 0.65 -5.15 -1.91 -0.95 116.94 109.62 2qub h PHE 317 Ca 0.14 -0.03 -0.09 0.00 -0.20 0.00 0.00 57.97 57.80 2qub h PHE 317 Cb 0.31 -0.06 -0.02 0.00 0.22 0.00 0.00 35.95 36.41 2qub h PHE 317 CO -0.00 0.40 -0.12 0.74 -2.00 0.00 0.00 178.31 177.33 2qub h PHE 318 N 0.19 0.74 0.21 6.09 0.04 -1.74 -1.19 116.94 121.28 2qub h PHE 318 Ca 0.04 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 2qub h PHE 318 Cb 0.47 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2qub h PHE 318 CO 0.01 0.77 -0.10 1.88 -0.60 0.00 0.00 178.31 180.26 2qub h TYR 319 N 0.62 -0.26 0.39 -0.55 -1.99 -1.38 -1.57 116.97 112.24 2qub h TYR 319 Ca 0.11 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 2qub h TYR 319 Cb 0.56 0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.38 2qub h TYR 319 CO 0.03 0.02 -0.21 0.37 -0.00 0.00 0.00 178.16 178.36 2qub h GLN 320 N -0.53 -0.55 0.01 4.88 -0.00 -1.12 -1.99 115.11 115.82 2qub h GLN 320 Ca -0.03 0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2qub h GLN 320 Cb 0.40 0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.00 2qub h GLN 320 CO 0.05 -0.37 -0.00 0.22 0.00 0.00 0.00 178.83 178.73 2qub h ASP 321 N -0.57 -0.01 -0.23 -0.69 3.58 -1.32 -2.96 116.42 114.23 2qub h ASP 321 Ca -0.05 -0.54 -0.02 0.00 0.42 0.00 0.00 57.03 56.84 2qub h ASP 321 Cb 0.45 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2qub h ASP 321 CO 0.07 0.54 0.07 1.23 -2.88 0.00 0.00 179.24 178.27 2qub h GLY 322 N -0.56 0.39 2.00 -0.78 0.00 -1.36 -2.67 103.07 100.09 2qub h GLY 322 Ca -0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 2qub h GLY 322 CO 0.00 0.22 -0.50 1.41 0.00 0.00 0.00 176.54 177.67 2qub h LEU 323 N 0.20 0.00 -0.82 3.11 3.38 -1.47 -2.15 115.31 117.56 2qub h LEU 323 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2qub h LEU 323 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qub h LEU 323 CO -0.00 0.50 -0.28 0.24 0.09 0.00 0.00 178.44 178.99 2qub h MET 324 N 0.00 0.56 -0.44 1.13 2.86 -1.49 -0.42 114.93 117.13 2qub h MET 324 Ca -0.01 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 2qub h MET 324 Cb 1.07 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 2qub h MET 324 CO 0.07 0.79 0.01 0.00 1.06 0.00 0.00 176.91 178.83 2qub h ARG 325 N 0.49 0.71 0.15 1.72 3.08 -1.07 -0.15 114.38 119.31 2qub h ARG 325 Ca 0.06 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2qub h ARG 325 Cb 0.74 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2qub h ARG 325 CO 0.06 0.72 -0.07 0.28 -1.07 0.00 0.00 179.97 179.88 2qub h VAL 326 N 0.67 0.90 -0.99 2.04 2.07 -1.17 -1.87 116.25 117.90 2qub h VAL 326 Ca 0.14 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2qub h VAL 326 Cb 0.40 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 2qub h VAL 326 CO 0.01 0.05 0.62 0.25 0.02 0.00 0.00 177.57 178.53 2qub h LEU 327 N -0.31 0.95 -1.42 2.57 5.85 -0.75 -2.36 115.31 119.84 2qub h LEU 327 Ca -0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2qub h LEU 327 Cb 0.25 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2qub h LEU 327 CO 0.03 0.55 0.00 0.59 -0.34 0.00 0.00 178.44 179.27 2qub n ASN 328 N -4.59 2.09 -4.77 1.25 5.03 -0.10 -4.85 115.26 109.33 2qub n ASN 328 Ca 0.17 -1.88 -0.40 0.00 0.87 0.00 0.00 54.58 53.35 2qub n ASN 328 Cb 0.28 -0.20 -0.00 0.00 -1.02 0.00 0.00 39.78 38.84 2qub n ASN 328 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2qub s SER 329 N -1.28 6.22 0.57 6.41 0.15 -0.71 -4.89 113.70 120.16 2qub s SER 329 Ca 0.30 2.71 0.28 0.00 0.70 0.00 0.00 55.95 59.94 2qub s SER 329 Cb 0.16 -2.64 1.50 0.00 -1.71 0.00 0.00 66.02 63.33 2qub s SER 329 CO 0.23 -0.92 1.98 -0.33 1.20 0.00 0.00 173.24 175.40 2qub h GLU 330 N 2.60 0.00 -0.38 5.44 5.08 -1.90 -2.11 114.58 123.31 2qub h GLU 330 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qub h GLU 330 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2qub h GLU 330 CO 0.62 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.82 2qub n PHE 331 N -3.97 0.48 -0.28 4.33 3.72 -1.26 -4.61 117.46 115.87 2qub n PHE 331 Ca 0.08 -0.24 0.07 0.00 -0.05 0.00 0.00 57.45 57.30 2qub n PHE 331 Cb 0.58 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.34 2qub n PHE 331 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2qub h TYR 332 N 4.51 0.68 0.00 1.38 3.20 -1.65 -1.11 116.97 123.98 2qub h TYR 332 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2qub h TYR 332 Cb 0.99 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2qub h TYR 332 CO 0.24 0.13 0.00 -1.13 -1.64 0.00 0.00 178.16 175.76 2qub n SER 333 N -4.92 0.00 -0.25 -2.11 3.41 -1.26 -1.12 113.62 107.37 2qub n SER 333 Ca 0.16 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 2qub n SER 333 Cb 0.44 -0.22 0.04 0.00 -0.26 0.00 0.00 64.21 64.21 2qub n SER 333 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qub n LEU 334 N -1.22 1.39 -4.90 1.04 4.77 -0.42 -4.68 117.00 112.98 2qub n LEU 334 Ca 0.08 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.26 2qub n LEU 334 Cb 0.10 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2qub n LEU 334 CO 0.10 0.28 0.42 0.42 -1.33 0.00 0.00 177.39 177.29 2qub s THR 335 N -2.71 4.90 0.26 -5.08 -4.23 -0.28 -4.95 115.64 103.55 2qub s THR 335 Ca 0.15 0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.96 2qub s THR 335 Cb 0.18 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 2qub s THR 335 CO 0.68 -0.75 -0.01 -1.81 -0.54 0.00 0.00 174.62 172.19 2qub s ASP 336 N -3.86 2.13 0.30 3.99 1.01 -1.26 -1.61 116.67 117.37 2qub s ASP 336 Ca 0.48 -1.23 0.04 0.00 0.71 0.00 0.00 52.55 52.55 2qub s ASP 336 Cb -0.10 -0.05 0.79 0.00 1.01 0.00 0.00 42.92 44.57 2qub s ASP 336 CO 0.41 -0.48 1.64 0.50 0.21 0.00 0.00 175.17 177.45 2qub h LYS 337 N 2.38 0.19 -0.43 8.23 3.64 -1.74 -0.86 116.57 127.98 2qub h LYS 337 Ca -0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2qub h LYS 337 Cb 1.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2qub h LYS 337 CO 0.66 0.13 0.00 -0.25 -2.27 0.00 0.00 179.45 177.71 2qub n ASP 338 N -5.23 4.82 -4.75 4.20 8.00 -1.26 -4.02 116.55 118.31 2qub n ASP 338 Ca 0.23 -2.93 -0.41 0.00 0.71 0.00 0.00 54.79 52.39 2qub n ASP 338 Cb 0.75 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2qub n ASP 338 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qub n SER 339 N 0.13 3.32 -4.63 -2.24 7.64 -0.33 -4.65 113.62 112.86 2qub n SER 339 Ca 0.25 1.19 -0.43 0.00 1.01 0.00 0.00 58.87 60.89 2qub n SER 339 Cb 1.04 -1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 2qub n SER 339 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2qub s THR 340 N -1.14 4.13 -0.13 0.44 2.01 -1.25 -4.46 115.64 115.24 2qub s THR 340 Ca 0.56 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.84 2qub s THR 340 Cb -0.50 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 67.89 2qub s THR 340 CO 0.62 -0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.32 2qub s ILE 341 N 4.38 1.44 -0.31 1.82 1.01 -0.83 -0.99 121.20 127.72 2qub s ILE 341 Ca 0.56 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 2qub s ILE 341 Cb -0.17 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2qub s ILE 341 CO 0.23 0.44 0.19 -0.63 0.00 0.00 0.00 174.94 175.17 2qub s ILE 342 N 1.46 5.03 -0.29 2.92 -1.09 0.66 -0.02 121.20 129.87 2qub s ILE 342 Ca 0.03 -0.19 -0.09 0.00 -2.23 0.00 0.00 60.65 58.16 2qub s ILE 342 Cb -0.13 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2qub s ILE 342 CO -0.09 0.09 0.14 -0.69 -1.23 0.00 0.00 174.94 173.16 2qub s VAL 343 N 1.69 4.66 -0.07 2.92 1.01 -0.31 -0.89 120.40 129.41 2qub s VAL 343 Ca 0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 2qub s VAL 343 Cb -0.17 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2qub s VAL 343 CO 0.09 0.17 1.66 -0.55 0.00 0.00 0.00 175.10 176.48 2qub s SER 344 N 1.64 6.62 -0.27 3.32 0.15 -0.46 -1.13 113.70 123.56 2qub s SER 344 Ca 0.06 2.17 0.19 0.00 0.70 0.00 0.00 55.95 59.07 2qub s SER 344 Cb -0.16 -2.53 0.49 0.00 -1.71 0.00 0.00 66.02 62.11 2qub s SER 344 CO 0.06 -0.98 1.12 0.59 1.20 0.00 0.00 173.24 175.24 2qub n ASN 345 N 7.34 2.39 -4.85 5.45 3.02 0.57 -4.70 115.26 124.49 2qub n ASN 345 Ca 0.18 -2.48 -0.32 0.00 -0.03 0.00 0.00 54.58 51.92 2qub n ASN 345 Cb 0.43 -0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 2qub n ASN 345 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qub s LEU 346 N -3.72 3.48 0.88 3.41 1.43 -1.18 -4.30 118.68 118.68 2qub s LEU 346 Ca 0.33 1.55 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 2qub s LEU 346 Cb 0.35 -4.50 0.13 0.00 0.03 0.00 0.00 46.19 42.20 2qub s LEU 346 CO -0.02 -0.75 1.23 -0.94 0.23 0.00 0.00 176.35 176.10 2qub s SER 347 N -3.38 3.84 0.54 2.29 1.04 -1.26 -4.84 113.70 111.93 2qub s SER 347 Ca 0.58 0.61 0.31 0.00 0.48 0.00 0.00 55.95 57.93 2qub s SER 347 Cb -0.11 -0.94 1.53 0.00 0.10 0.00 0.00 66.02 66.61 2qub s SER 347 CO 0.39 -2.31 2.07 0.78 0.98 0.00 0.00 173.24 175.16 2qub h ASN 348 N -1.34 0.00 0.55 7.02 2.35 -1.17 -1.66 115.58 121.34 2qub h ASN 348 Ca -0.46 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.16 2qub h ASN 348 Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 2qub h ASN 348 CO 0.55 0.08 -0.61 0.58 -1.65 0.00 0.00 177.43 176.38 2qub h VAL 349 N 0.00 1.43 0.00 2.81 2.07 -1.82 -3.36 116.25 117.38 2qub h VAL 349 Ca -0.00 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2qub h VAL 349 Cb 0.37 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2qub h VAL 349 CO 0.01 0.60 -0.99 0.35 0.02 0.00 0.00 177.57 177.55 2qub n THR 350 N -3.83 0.00 -0.05 2.57 -2.24 -1.13 -4.69 114.28 104.91 2qub n THR 350 Ca -0.01 -0.23 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2qub n THR 350 Cb 0.61 0.57 0.40 0.00 -2.10 0.00 0.00 70.33 69.81 2qub n THR 350 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2qub h ARG 351 N 0.00 0.62 -0.01 -0.78 2.43 -1.45 -2.08 114.38 113.11 2qub h ARG 351 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2qub h ARG 351 Cb 0.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2qub h ARG 351 CO 0.00 0.41 -0.00 0.41 -1.51 0.00 0.00 179.97 179.28 2qub n GLY 352 N -1.47 -0.44 0.05 2.80 0.00 -1.26 -4.03 105.19 100.84 2qub n GLY 352 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2qub n GLY 352 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qub n ASN 353 N -0.34 0.04 -3.97 1.61 0.23 -0.90 -5.04 115.26 106.89 2qub n ASN 353 Ca 0.21 -1.12 -0.26 0.00 -0.53 0.00 0.00 54.58 52.88 2qub n ASN 353 Cb 0.25 -0.02 -0.17 0.00 -2.08 0.00 0.00 39.78 37.76 2qub n ASN 353 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2qub s THR 354 N -0.02 1.13 -0.04 5.53 2.01 -0.83 -5.10 115.64 118.31 2qub s THR 354 Ca 0.00 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 2qub s THR 354 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 2qub s THR 354 CO 0.00 0.37 1.02 0.26 -0.69 0.00 0.00 174.62 175.58 2qub s TRP 355 N 1.19 3.57 -0.32 4.92 0.52 -1.26 -4.50 118.94 123.07 2qub s TRP 355 Ca -0.04 1.61 -0.29 0.00 0.02 0.00 0.00 56.10 57.40 2qub s TRP 355 Cb -0.14 -3.18 0.02 0.00 -1.15 0.00 0.00 33.47 29.02 2qub s TRP 355 CO -0.03 -0.24 1.07 0.08 0.02 0.00 0.00 176.95 177.86 2qub s VAL 356 N 1.44 4.51 0.14 4.03 1.01 0.77 -4.90 120.40 127.40 2qub s VAL 356 Ca 0.51 1.73 -0.16 0.00 0.00 0.00 0.00 61.98 64.07 2qub s VAL 356 Cb -0.21 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 31.79 2qub s VAL 356 CO 0.24 -0.47 0.42 -1.83 0.00 0.00 0.00 175.10 173.46 2qub s GLU 357 N 3.64 1.14 -1.05 2.72 -1.05 -1.26 -0.87 118.70 121.96 2qub s GLU 357 Ca 0.45 -0.76 -0.22 0.00 -0.15 0.00 0.00 54.97 54.29 2qub s GLU 357 Cb -0.12 0.48 0.04 0.00 -0.44 0.00 0.00 34.13 34.08 2qub s GLU 357 CO 0.15 -0.45 1.56 0.34 0.95 0.00 0.00 175.26 177.81 2qub s ASP 358 N -2.83 6.35 0.52 0.83 2.15 -1.26 -4.78 116.67 117.65 2qub s ASP 358 Ca 0.05 -1.51 0.32 0.00 0.43 0.00 0.00 52.55 51.83 2qub s ASP 358 Cb 0.01 -2.57 1.22 0.00 -0.30 0.00 0.00 42.92 41.28 2qub s ASP 358 CO -0.10 -1.65 1.92 -0.07 -0.17 0.00 0.00 175.17 175.11 2qub h LEU 359 N 13.50 0.00 2.53 -1.34 3.38 -1.98 -3.47 115.31 127.92 2qub h LEU 359 Ca 0.23 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.86 2qub h LEU 359 Cb 0.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2qub h LEU 359 CO 1.40 0.00 -0.41 -3.20 0.09 0.00 0.00 178.44 176.32 2qub n ASN 360 N -3.03 -4.87 -4.76 -0.43 4.05 -1.26 -4.93 115.26 100.03 2qub n ASN 360 Ca 0.01 0.13 -0.41 0.00 0.45 0.00 0.00 54.58 54.77 2qub n ASN 360 Cb 0.33 -4.13 -0.03 0.00 1.23 0.00 0.00 39.78 37.18 2qub n ASN 360 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 2qub s ARG 361 N -4.80 4.42 -1.40 1.20 3.52 -1.26 -3.91 118.95 116.72 2qub s ARG 361 Ca 0.00 2.09 -0.01 0.00 -0.13 0.00 0.00 55.73 57.68 2qub s ARG 361 Cb 0.00 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.27 2qub s ARG 361 CO 0.00 -0.13 0.50 0.09 -0.81 0.00 0.00 175.30 174.95 2qub n ASN 362 N 1.44 -0.72 -3.48 -2.12 5.03 -1.26 -4.95 115.26 109.20 2qub n ASN 362 Ca 0.02 -0.96 -0.13 0.00 0.87 0.00 0.00 54.58 54.37 2qub n ASN 362 Cb 0.43 -3.26 -0.03 0.00 -1.02 0.00 0.00 39.78 35.90 2qub n ASN 362 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qub s ALA 363 N -3.86 -1.72 0.72 5.41 0.00 -1.25 -4.86 121.76 116.20 2qub s ALA 363 Ca 0.05 0.90 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 2qub s ALA 363 Cb -0.03 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.55 2qub s ALA 363 CO 0.87 -0.61 1.19 -1.21 0.00 0.00 0.00 175.76 176.01 2qub s GLU 364 N -2.72 2.22 0.17 0.00 2.02 -1.26 -4.90 118.70 114.23 2qub s GLU 364 Ca -0.02 1.71 -0.33 0.00 0.02 0.00 0.00 54.97 56.36 2qub s GLU 364 Cb -0.01 -1.85 -0.13 0.00 0.10 0.00 0.00 34.13 32.25 2qub s GLU 364 CO -0.05 -1.76 1.69 2.41 0.02 0.00 0.00 175.26 177.57 2qub n THR 365 N -2.68 0.06 -1.87 3.63 -1.04 -1.26 -4.96 114.28 106.16 2qub n THR 365 Ca 0.13 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.81 2qub n THR 365 Cb 0.50 -1.84 0.03 0.00 -1.82 0.00 0.00 70.33 67.21 2qub n THR 365 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2qub s HIS 366 N 1.36 2.93 0.24 -1.42 0.09 -1.26 -5.08 115.29 112.15 2qub s HIS 366 Ca 0.78 1.50 -0.08 0.00 -0.00 0.00 0.00 55.06 57.26 2qub s HIS 366 Cb -0.57 -3.01 -0.02 0.00 -0.00 0.00 0.00 32.58 28.98 2qub s HIS 366 CO 0.35 -1.26 0.36 -1.54 -0.00 0.00 0.00 174.74 172.65 2qub s SER 367 N -2.97 0.10 0.05 1.40 1.04 -1.26 -5.14 113.70 106.92 2qub s SER 367 Ca 0.63 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2qub s SER 367 Cb -0.16 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2qub s SER 367 CO 0.42 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2qub n GLY 368 N -0.36 -2.14 3.77 7.32 0.00 -1.26 -4.59 105.19 107.92 2qub n GLY 368 Ca -0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 2qub n GLY 368 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qub s PRO 369 N -0.62 2.33 -0.11 1.61 0.04 -1.26 -4.82 135.00 132.17 2qub s PRO 369 Ca 0.00 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.26 2qub s PRO 369 Cb 0.00 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2qub s PRO 369 CO 0.00 -1.59 -0.17 0.99 0.04 0.00 0.00 177.00 176.27 2qub s THR 370 N -2.82 2.75 -0.19 1.26 2.01 -0.71 -3.97 115.64 113.97 2qub s THR 370 Ca 0.62 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 2qub s THR 370 Cb -0.18 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2qub s THR 370 CO 0.54 0.54 0.05 -0.36 -0.69 0.00 0.00 174.62 174.70 2qub s PHE 371 N 0.17 3.18 -0.19 4.92 0.08 -0.16 -0.59 117.98 125.38 2qub s PHE 371 Ca -0.09 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 56.89 2qub s PHE 371 Cb -0.16 -2.08 0.03 0.00 -0.57 0.00 0.00 43.02 40.24 2qub s PHE 371 CO 0.06 0.03 -0.18 0.42 -0.10 0.00 0.00 175.22 175.45 2qub s ILE 372 N 0.59 2.01 -0.32 0.64 1.01 -0.32 -0.24 121.20 124.57 2qub s ILE 372 Ca 0.02 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 2qub s ILE 372 Cb -0.13 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2qub s ILE 372 CO 0.02 0.44 0.15 -0.63 0.00 0.00 0.00 174.94 174.92 2qub s ILE 373 N 1.29 4.50 0.33 2.92 -1.09 -0.07 -0.89 121.20 128.20 2qub s ILE 373 Ca 0.03 -0.52 -0.06 0.00 -2.23 0.00 0.00 60.65 57.87 2qub s ILE 373 Cb -0.14 -3.33 0.08 0.00 -1.58 0.00 0.00 42.46 37.49 2qub s ILE 373 CO -0.12 0.03 0.36 0.61 -1.23 0.00 0.00 174.94 174.59 2qub n GLY 374 N 4.97 -1.95 3.79 6.18 0.00 0.15 -1.36 105.19 116.96 2qub n GLY 374 Ca -0.14 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 2qub n GLY 374 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qub s SER 375 N -2.41 4.40 0.00 1.61 1.04 -1.26 -4.70 113.70 112.38 2qub s SER 375 Ca 0.22 -1.28 0.16 0.00 0.48 0.00 0.00 55.95 55.53 2qub s SER 375 Cb -0.01 0.03 0.94 0.00 0.10 0.00 0.00 66.02 67.08 2qub s SER 375 CO 0.16 -0.78 1.55 0.47 0.98 0.00 0.00 173.24 175.61 2qub n ASP 376 N -1.39 0.00 -2.40 7.02 8.00 -1.26 -4.12 116.55 122.40 2qub n ASP 376 Ca -0.06 -1.34 -0.03 0.00 0.71 0.00 0.00 54.79 54.08 2qub n ASP 376 Cb 0.65 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.77 2qub n ASP 376 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qub n GLY 377 N 0.64 1.20 3.59 0.44 0.00 -1.26 -3.38 105.19 106.43 2qub n GLY 377 Ca 0.12 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 2qub n GLY 377 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 378 N -1.57 6.63 0.13 1.61 -0.87 -1.26 -4.27 114.94 115.34 2qub s ASN 378 Ca 0.09 0.44 0.04 0.00 -1.57 0.00 0.00 52.86 51.86 2qub s ASN 378 Cb -0.01 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 38.67 2qub s ASN 378 CO 0.06 -1.12 0.11 -1.81 -2.57 0.00 0.00 177.10 171.76 2qub s ASP 379 N 2.27 5.48 -0.27 -1.22 1.01 -1.25 -4.64 116.67 118.06 2qub s ASP 379 Ca 0.44 -0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.57 2qub s ASP 379 Cb -0.09 -1.44 0.03 0.00 1.01 0.00 0.00 42.92 42.43 2qub s ASP 379 CO 0.27 0.11 -0.01 -0.76 0.21 0.00 0.00 175.17 175.00 2qub s LEU 380 N -2.80 3.52 -0.11 1.23 1.43 -1.26 -0.96 118.68 119.73 2qub s LEU 380 Ca 0.30 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2qub s LEU 380 Cb -0.11 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2qub s LEU 380 CO 0.23 -0.17 -0.18 -0.63 0.23 0.00 0.00 176.35 175.83 2qub s ILE 381 N 1.36 1.68 -0.14 -0.59 1.01 -0.36 -0.16 121.20 123.99 2qub s ILE 381 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2qub s ILE 381 Cb -0.17 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2qub s ILE 381 CO -0.02 0.48 -0.12 -0.75 0.00 0.00 0.00 174.94 174.52 2qub s LYS 382 N 0.88 2.10 0.41 2.79 2.20 -0.05 -0.92 119.74 127.16 2qub s LYS 382 Ca -0.08 -0.50 -0.08 0.00 -0.36 0.00 0.00 55.97 54.95 2qub s LYS 382 Cb -0.15 -2.00 -0.05 0.00 -1.51 0.00 0.00 37.83 34.11 2qub s LYS 382 CO -0.01 -0.26 0.73 0.20 -0.36 0.00 0.00 175.35 175.66 2qub s GLY 383 N 1.53 1.77 0.00 5.54 0.00 -0.15 -4.34 107.32 111.67 2qub s GLY 383 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2qub s GLY 383 CO -0.10 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.40 2qub n GLY 384 N -1.56 0.34 0.15 0.20 0.00 -1.26 -1.59 105.19 101.47 2qub n GLY 384 Ca 0.01 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.30 2qub n GLY 384 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qub h LYS 385 N 0.00 0.00 0.00 1.61 1.57 -1.81 -3.05 116.57 114.90 2qub h LYS 385 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qub h LYS 385 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qub h LYS 385 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2qub n GLY 386 N 0.45 0.29 3.69 3.86 0.00 -1.26 -2.66 105.19 109.56 2qub n GLY 386 Ca 0.03 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 2qub n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 387 N -1.00 6.94 0.09 1.61 0.01 -1.26 -4.20 114.94 117.13 2qub s ASN 387 Ca 0.00 1.14 0.07 0.00 -0.71 0.00 0.00 52.86 53.37 2qub s ASN 387 Cb 0.00 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 2qub s ASN 387 CO 0.00 -0.24 -0.19 -1.81 -1.51 0.00 0.00 177.10 173.35 2qub s ASP 388 N 0.99 2.34 -0.27 -1.22 1.01 -1.17 -1.74 116.67 116.61 2qub s ASP 388 Ca 0.37 -0.64 0.03 0.00 0.71 0.00 0.00 52.55 53.01 2qub s ASP 388 Cb -0.17 -0.13 0.07 0.00 1.01 0.00 0.00 42.92 43.70 2qub s ASP 388 CO 0.15 0.05 -0.07 -0.31 0.21 0.00 0.00 175.17 175.20 2qub s TYR 389 N -1.12 3.21 -0.19 4.23 2.02 0.24 -1.37 117.35 124.37 2qub s TYR 389 Ca 0.05 -2.36 -0.04 0.00 -0.37 0.00 0.00 57.07 54.35 2qub s TYR 389 Cb -0.10 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 2qub s TYR 389 CO 0.03 -0.88 -0.05 -0.51 -1.57 0.00 0.00 175.55 172.58 2qub s LEU 390 N 1.11 3.01 -0.24 -1.29 1.43 -0.19 -1.17 118.68 121.33 2qub s LEU 390 Ca -0.04 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2qub s LEU 390 Cb -0.20 -1.75 0.05 0.00 0.03 0.00 0.00 46.19 44.33 2qub s LEU 390 CO -0.06 0.06 -0.12 -0.70 0.23 0.00 0.00 176.35 175.76 2qub s GLU 391 N 1.01 2.48 0.13 1.70 2.12 -0.07 -0.79 118.70 125.29 2qub s GLU 391 Ca 0.00 -1.19 -0.00 0.00 0.36 0.00 0.00 54.97 54.14 2qub s GLU 391 Cb -0.15 -2.85 -0.12 0.00 0.26 0.00 0.00 34.13 31.27 2qub s GLU 391 CO 0.00 -0.48 1.29 0.78 -0.54 0.00 0.00 175.26 176.32 2qub h GLY 392 N 7.85 0.26 0.00 -1.50 0.00 -1.14 0.43 103.07 108.97 2qub h GLY 392 Ca -0.27 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.53 2qub h GLY 392 CO 0.52 0.47 0.00 0.54 0.00 0.00 0.00 176.54 178.07 2qub n ARG 393 N -3.61 0.00 -0.73 4.80 1.74 -1.26 -4.03 116.66 113.58 2qub n ARG 393 Ca -0.05 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.75 2qub n ARG 393 Cb 0.89 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.56 2qub n ARG 393 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qub s ASP 394 N -4.00 1.35 0.00 0.55 1.01 -1.26 -3.58 116.67 110.74 2qub s ASP 394 Ca 0.00 1.39 0.00 0.00 0.71 0.00 0.00 52.55 54.65 2qub s ASP 394 Cb 0.00 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.78 2qub s ASP 394 CO 0.00 -3.95 0.00 0.61 0.21 0.00 0.00 175.17 172.04 2qub n GLY 395 N 0.25 -0.95 3.53 0.21 0.00 -1.22 -4.03 105.19 102.99 2qub n GLY 395 Ca 0.03 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 2qub n GLY 395 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 396 N -2.78 6.35 0.04 1.61 1.01 -1.26 -4.29 116.67 117.35 2qub s ASP 396 Ca 0.00 -0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.00 2qub s ASP 396 Cb 0.00 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 2qub s ASP 396 CO 0.00 -1.31 0.02 -1.81 0.21 0.00 0.00 175.17 172.28 2qub s ASP 397 N 2.93 5.22 -0.11 0.27 1.01 -1.22 -3.79 116.67 120.99 2qub s ASP 397 Ca 0.33 -0.04 0.03 0.00 0.71 0.00 0.00 52.55 53.59 2qub s ASP 397 Cb -0.11 -1.36 0.00 0.00 1.01 0.00 0.00 42.92 42.46 2qub s ASP 397 CO 0.20 0.23 -0.23 -0.63 0.21 0.00 0.00 175.17 174.95 2qub s ILE 398 N -1.21 2.14 -0.00 0.77 1.01 -0.13 -0.91 121.20 122.87 2qub s ILE 398 Ca 0.23 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.94 2qub s ILE 398 Cb -0.12 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2qub s ILE 398 CO 0.15 0.56 -0.11 -0.36 0.00 0.00 0.00 174.94 175.17 2qub s PHE 399 N 0.41 2.78 0.13 3.97 0.08 -0.17 -1.22 117.98 123.94 2qub s PHE 399 Ca -0.17 -0.11 0.06 0.00 0.12 0.00 0.00 56.93 56.84 2qub s PHE 399 Cb -0.17 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 2qub s PHE 399 CO 0.07 0.31 -0.15 1.03 -0.10 0.00 0.00 175.22 176.38 2qub s ARG 400 N -1.26 1.06 -0.20 0.44 0.52 -0.09 -1.03 118.95 118.38 2qub s ARG 400 Ca 0.15 -1.26 -0.14 0.00 -0.52 0.00 0.00 55.73 53.96 2qub s ARG 400 Cb -0.11 -0.97 0.06 0.00 0.52 0.00 0.00 34.95 34.45 2qub s ARG 400 CO 0.05 0.19 0.50 0.34 0.02 0.00 0.00 175.30 176.40 2qub s ASP 401 N -2.47 -0.61 0.00 0.23 2.15 -1.26 -0.98 116.67 113.72 2qub s ASP 401 Ca 0.10 1.07 0.28 0.00 0.43 0.00 0.00 52.55 54.43 2qub s ASP 401 Cb -0.05 1.00 1.06 0.00 -0.30 0.00 0.00 42.92 44.62 2qub s ASP 401 CO 0.03 -0.20 1.78 0.00 -0.17 0.00 0.00 175.17 176.62 2qub n ALA 402 N 3.76 2.79 0.00 3.66 0.00 -0.62 -4.96 120.51 125.13 2qub n ALA 402 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2qub n ALA 402 Cb 0.56 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2qub n ALA 402 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 403 N 1.42 -0.84 6.89 0.00 0.00 -1.15 -4.58 105.19 106.93 2qub n GLY 403 Ca 0.09 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2qub n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 404 N -0.09 -1.55 3.37 -0.02 0.00 -1.09 -4.26 105.19 101.55 2qub n GLY 404 Ca 0.00 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 2qub n GLY 404 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qub s TYR 405 N 0.00 2.96 0.05 1.61 2.02 -1.26 -3.19 117.35 119.54 2qub s TYR 405 Ca 0.00 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 2qub s TYR 405 Cb 0.00 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2qub s TYR 405 CO 0.00 -0.36 -0.06 -0.80 -1.57 0.00 0.00 175.55 172.76 2qub s ASN 406 N 1.05 0.74 -0.08 2.29 0.01 -0.65 -3.04 114.94 115.26 2qub s ASN 406 Ca 0.01 -0.74 0.05 0.00 -0.71 0.00 0.00 52.86 51.47 2qub s ASN 406 Cb -0.15 0.09 -0.00 0.00 0.41 0.00 0.00 41.25 41.61 2qub s ASN 406 CO 0.00 -0.36 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.24 2qub s LEU 407 N -2.17 2.03 -0.09 0.60 1.43 -0.47 -1.52 118.68 118.48 2qub s LEU 407 Ca -0.03 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2qub s LEU 407 Cb -0.03 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.89 2qub s LEU 407 CO -0.03 0.18 -0.16 -0.63 0.23 0.00 0.00 176.35 175.94 2qub s ILE 408 N 0.15 1.51 -0.37 -0.59 1.01 0.25 -1.02 121.20 122.14 2qub s ILE 408 Ca -0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 2qub s ILE 408 Cb -0.16 -1.35 0.09 0.00 0.01 0.00 0.00 42.46 41.05 2qub s ILE 408 CO 0.06 0.44 0.13 0.00 0.00 0.00 0.00 174.94 175.57 2qub s ALA 409 N 0.72 3.04 0.19 9.38 0.00 0.03 -0.87 121.76 134.25 2qub s ALA 409 Ca -0.12 -2.31 0.22 0.00 0.00 0.00 0.00 51.96 49.75 2qub s ALA 409 Cb -0.16 -2.24 0.90 0.00 0.00 0.00 0.00 23.12 21.62 2qub s ALA 409 CO 0.03 -1.64 1.83 0.78 0.00 0.00 0.00 175.76 176.76 2qub h GLY 410 N 8.00 0.00 0.00 0.00 0.00 -1.45 0.26 103.07 109.87 2qub h GLY 410 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2qub h GLY 410 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 2qub n GLY 411 N 0.04 0.34 3.64 4.60 0.00 -1.26 -4.00 105.19 108.56 2qub n GLY 411 Ca -0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 2qub n GLY 411 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qub s LYS 412 N 0.00 0.36 0.00 1.61 1.02 -1.23 -4.86 119.74 116.64 2qub s LYS 412 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 55.97 56.73 2qub s LYS 412 Cb 0.00 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 2qub s LYS 412 CO 0.00 -2.84 0.00 0.41 -0.92 0.00 0.00 175.35 172.00 2qub n GLY 413 N -0.56 -0.10 3.49 -3.33 0.00 -1.26 -3.98 105.19 99.45 2qub n GLY 413 Ca 0.06 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 2qub n GLY 413 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qub s HIS 414 N -1.09 2.99 0.04 1.61 2.46 -1.26 -4.93 115.29 115.10 2qub s HIS 414 Ca 0.00 -0.22 0.04 0.00 0.47 0.00 0.00 55.06 55.35 2qub s HIS 414 Cb 0.00 -3.62 -0.04 0.00 -0.13 0.00 0.00 32.58 28.79 2qub s HIS 414 CO 0.00 -1.06 -0.05 -0.80 -2.47 0.00 0.00 174.74 170.36 2qub s ASN 415 N 2.48 4.73 -0.02 9.88 0.01 -1.26 -3.37 114.94 127.38 2qub s ASN 415 Ca 0.22 -0.18 0.06 0.00 -0.71 0.00 0.00 52.86 52.25 2qub s ASN 415 Cb -0.16 -1.09 -0.01 0.00 0.41 0.00 0.00 41.25 40.40 2qub s ASN 415 CO 0.17 0.24 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.17 2qub s ILE 416 N -1.11 1.60 -0.18 0.60 1.01 -0.09 -1.46 121.20 121.58 2qub s ILE 416 Ca 0.20 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 2qub s ILE 416 Cb -0.11 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 2qub s ILE 416 CO 0.11 0.45 -0.03 0.12 0.00 0.00 0.00 174.94 175.59 2qub s PHE 417 N -0.36 3.00 -0.31 3.97 5.36 -0.64 -1.00 117.98 128.00 2qub s PHE 417 Ca 0.05 -0.49 -0.05 0.00 -0.96 0.00 0.00 56.93 55.49 2qub s PHE 417 Cb -0.09 -2.01 0.03 0.00 -0.34 0.00 0.00 43.02 40.61 2qub s PHE 417 CO 0.00 -0.20 0.05 0.34 -1.46 0.00 0.00 175.22 173.95 2qub s ASP 418 N 0.76 5.04 0.45 6.13 2.15 -0.20 -0.26 116.67 130.75 2qub s ASP 418 Ca -0.01 -1.06 0.26 0.00 0.43 0.00 0.00 52.55 52.17 2qub s ASP 418 Cb -0.14 -1.81 0.63 0.00 -0.30 0.00 0.00 42.92 41.30 2qub s ASP 418 CO 0.02 -0.26 1.71 0.71 -0.17 0.00 0.00 175.17 177.18 2qub h THR 419 N 6.18 0.00 -0.39 1.71 1.35 -1.25 -3.41 112.91 117.10 2qub h THR 419 Ca -0.25 -0.84 -0.17 0.00 -0.55 0.00 0.00 66.41 64.60 2qub h THR 419 Cb 1.09 1.84 -0.07 0.00 -1.73 0.00 0.00 68.15 69.28 2qub h THR 419 CO 0.58 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.70 2qub n GLN 420 N -3.04 -1.43 -3.83 4.72 6.02 -1.26 -4.94 117.38 113.62 2qub n GLN 420 Ca 0.03 0.74 -0.11 0.00 -0.01 0.00 0.00 57.00 57.65 2qub n GLN 420 Cb 0.46 -4.97 0.00 0.00 1.02 0.00 0.00 30.24 26.75 2qub n GLN 420 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qub n GLN 421 N -1.05 0.92 -1.76 -1.09 10.64 -1.26 -4.68 117.38 119.10 2qub n GLN 421 Ca -0.08 -2.46 -0.41 0.00 -1.83 0.00 0.00 57.00 52.22 2qub n GLN 421 Cb 0.48 2.70 -0.01 0.00 -0.86 0.00 0.00 30.24 32.56 2qub n GLN 421 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qub n ALA 422 N -0.66 2.58 0.04 2.61 0.00 -0.69 -1.32 120.51 123.07 2qub n ALA 422 Ca -0.15 0.36 0.08 0.00 0.00 0.00 0.00 53.44 53.73 2qub n ALA 422 Cb 0.58 -2.46 0.52 0.00 0.00 0.00 0.00 19.45 18.09 2qub n ALA 422 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qub h LEU 423 N 4.30 0.29 -1.67 0.00 5.85 -1.94 -1.89 115.31 120.26 2qub h LEU 423 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2qub h LEU 423 Cb 1.23 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2qub h LEU 423 CO 0.75 0.20 0.00 0.07 -0.34 0.00 0.00 178.44 179.12 2qub h LYS 424 N 0.34 0.00 -0.00 1.25 2.10 -1.98 -1.34 116.57 116.93 2qub h LYS 424 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2qub h LYS 424 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2qub h LYS 424 CO -0.03 0.00 -0.14 0.09 -2.00 0.00 0.00 179.45 177.37 2qub n ASN 425 N -2.50 0.53 -4.14 7.07 3.02 -0.71 -4.82 115.26 113.71 2qub n ASN 425 Ca -0.01 -0.57 -0.28 0.00 -0.03 0.00 0.00 54.58 53.69 2qub n ASN 425 Cb 0.09 -0.05 -0.17 0.00 -0.61 0.00 0.00 39.78 39.05 2qub n ASN 425 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qub s THR 426 N -2.51 1.61 -0.11 3.41 2.01 -0.51 -4.00 115.64 115.54 2qub s THR 426 Ca 0.27 -0.78 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 2qub s THR 426 Cb 0.20 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 2qub s THR 426 CO 0.49 0.46 0.85 -1.61 -0.69 0.00 0.00 174.62 174.12 2qub s GLU 427 N 0.33 4.39 -0.12 4.92 2.02 -0.33 -4.93 118.70 124.98 2qub s GLU 427 Ca -0.13 1.10 0.02 0.00 0.02 0.00 0.00 54.97 55.99 2qub s GLU 427 Cb -0.15 -3.52 0.01 0.00 0.10 0.00 0.00 34.13 30.56 2qub s GLU 427 CO 0.05 -0.19 -0.18 0.08 0.02 0.00 0.00 175.26 175.04 2qub s VAL 428 N 1.65 1.72 0.24 2.63 1.01 -1.26 -1.24 120.40 125.14 2qub s VAL 428 Ca 0.42 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2qub s VAL 428 Cb -0.18 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2qub s VAL 428 CO 0.17 0.48 0.13 0.00 0.00 0.00 0.00 175.10 175.89 2qub s ALA 429 N 0.86 1.47 -0.17 5.51 0.00 -0.43 -4.58 121.76 124.42 2qub s ALA 429 Ca -0.08 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.00 2qub s ALA 429 Cb -0.15 1.27 0.06 0.00 0.00 0.00 0.00 23.12 24.30 2qub s ALA 429 CO -0.01 -0.55 0.41 -0.47 0.00 0.00 0.00 175.76 175.14 2qub s TYR 430 N -3.93 -0.57 -2.34 0.00 5.04 -1.26 -0.55 117.35 113.74 2qub s TYR 430 Ca 0.38 1.25 0.21 0.00 -2.44 0.00 0.00 57.07 56.47 2qub s TYR 430 Cb 0.07 0.24 0.53 0.00 0.35 0.00 0.00 41.96 43.15 2qub s TYR 430 CO 0.14 -0.32 1.45 -0.40 -1.34 0.00 0.00 175.55 175.08 2qub n ASP 431 N 4.03 2.83 0.00 4.32 5.68 -0.54 -4.90 116.55 127.96 2qub n ASP 431 Ca -0.22 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 2qub n ASP 431 Cb 0.55 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 2qub n ASP 431 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qub n GLY 432 N 1.37 2.85 0.00 6.12 0.00 -1.26 -4.78 105.19 109.49 2qub n GLY 432 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2qub n GLY 432 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qub n ASN 433 N 0.00 0.00 -4.57 1.61 4.05 -1.26 -4.96 115.26 110.14 2qub n ASN 433 Ca 0.00 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.69 2qub n ASN 433 Cb 0.00 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 40.90 2qub n ASN 433 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2qub s THR 434 N -1.00 4.07 -0.14 -0.44 2.01 -1.26 -3.76 115.64 115.12 2qub s THR 434 Ca 0.00 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 61.52 2qub s THR 434 Cb 0.00 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2qub s THR 434 CO 0.00 0.53 0.41 -0.22 -0.69 0.00 0.00 174.62 174.65 2qub s LEU 435 N -0.07 4.26 -0.19 4.42 2.96 0.26 -1.46 118.68 128.85 2qub s LEU 435 Ca 0.03 0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 54.59 2qub s LEU 435 Cb -0.13 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 2qub s LEU 435 CO 0.02 0.03 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.74 2qub s TYR 436 N 0.61 3.00 -0.12 5.38 2.02 0.29 -0.29 117.35 128.24 2qub s TYR 436 Ca 0.23 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2qub s TYR 436 Cb -0.14 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2qub s TYR 436 CO 0.08 -0.26 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.16 2qub s LEU 437 N 0.90 1.58 -0.16 -1.29 1.43 -0.28 -1.32 118.68 119.55 2qub s LEU 437 Ca -0.00 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2qub s LEU 437 Cb -0.14 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 2qub s LEU 437 CO 0.01 -0.03 -0.14 -0.60 0.23 0.00 0.00 176.35 175.82 2qub s ARG 438 N 1.25 3.26 0.79 1.70 3.52 -0.38 -0.72 118.95 128.37 2qub s ARG 438 Ca -0.02 -0.73 -0.06 0.00 -0.13 0.00 0.00 55.73 54.80 2qub s ARG 438 Cb -0.14 -2.66 0.14 0.00 -1.56 0.00 0.00 34.95 30.73 2qub s ARG 438 CO -0.05 0.03 1.10 0.16 -0.81 0.00 0.00 175.30 175.73 2qub s ASP 439 N 0.79 4.01 0.58 -2.12 1.47 -0.27 -1.19 116.67 119.95 2qub s ASP 439 Ca -0.05 -0.09 0.35 0.00 1.18 0.00 0.00 52.55 53.93 2qub s ASP 439 Cb -0.15 -0.21 1.81 0.00 -0.34 0.00 0.00 42.92 44.02 2qub s ASP 439 CO 0.00 -2.10 2.18 0.00 0.68 0.00 0.00 175.17 175.93 2qub h ALA 440 N -0.88 1.16 -0.19 2.11 0.00 -1.91 -0.59 119.26 118.97 2qub h ALA 440 Ca -0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qub h ALA 440 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qub h ALA 440 CO 0.41 0.05 0.00 1.63 0.00 0.00 0.00 179.25 181.35 2qub n LYS 441 N -3.36 2.09 -0.31 0.00 5.02 -1.26 -4.94 118.16 115.40 2qub n LYS 441 Ca -0.02 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.65 2qub n LYS 441 Cb 0.18 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2qub n LYS 441 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qub n GLY 442 N 1.30 0.67 3.74 0.72 0.00 -0.23 -5.05 105.19 106.34 2qub n GLY 442 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2qub n GLY 442 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qub s GLY 443 N -1.34 2.24 -0.09 -0.02 0.00 -1.26 -4.74 107.32 102.10 2qub s GLY 443 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 44.72 45.98 2qub s GLY 443 CO 0.00 2.26 -0.16 -0.42 0.00 0.00 0.00 173.10 174.78 2qub s ILE 444 N 0.29 2.81 -0.10 0.90 1.01 -1.19 -1.11 121.20 123.81 2qub s ILE 444 Ca 0.60 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2qub s ILE 444 Cb -0.40 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2qub s ILE 444 CO 0.39 0.55 -0.20 -0.89 0.00 0.00 0.00 174.94 174.79 2qub s THR 445 N -0.02 2.45 -0.19 2.92 2.01 0.10 -1.63 115.64 121.28 2qub s THR 445 Ca -0.05 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 2qub s THR 445 Cb -0.14 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 2qub s THR 445 CO 0.04 0.55 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.75 2qub s LEU 446 N 0.16 3.21 -0.11 4.42 1.02 -0.58 -1.13 118.68 125.68 2qub s LEU 446 Ca -0.11 -0.21 -0.01 0.00 0.02 0.00 0.00 54.13 53.83 2qub s LEU 446 Cb -0.16 -1.81 0.03 0.00 0.02 0.00 0.00 46.19 44.27 2qub s LEU 446 CO 0.06 0.08 -0.04 0.00 0.02 0.00 0.00 176.35 176.47 2qub s ALA 447 N 0.90 1.11 0.06 4.21 0.00 0.60 -0.58 121.76 128.07 2qub s ALA 447 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 2qub s ALA 447 Cb -0.14 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 2qub s ALA 447 CO 0.02 -0.48 0.37 -0.51 0.00 0.00 0.00 175.76 175.15 2qub s ASP 448 N 1.80 6.61 -1.24 0.00 1.01 -0.05 -0.58 116.67 124.23 2qub s ASP 448 Ca 0.04 0.74 -0.06 0.00 0.71 0.00 0.00 52.55 53.99 2qub s ASP 448 Cb -0.13 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.65 2qub s ASP 448 CO -0.07 0.19 0.74 0.47 0.21 0.00 0.00 175.17 176.71 2qub n ASP 449 N 0.95 -5.57 -4.56 0.27 8.00 -1.25 -1.29 116.55 113.10 2qub n ASP 449 Ca -0.09 -0.34 -0.40 0.00 0.71 0.00 0.00 54.79 54.67 2qub n ASP 449 Cb 0.52 -4.30 -0.09 0.00 -0.02 0.00 0.00 41.12 37.23 2qub n ASP 449 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qub s ILE 450 N -3.17 5.13 -0.05 0.53 -1.09 -1.26 -4.27 121.20 117.02 2qub s ILE 450 Ca 0.37 0.24 0.13 0.00 -2.23 0.00 0.00 60.65 59.16 2qub s ILE 450 Cb -0.16 -3.83 -0.14 0.00 -1.58 0.00 0.00 42.46 36.75 2qub s ILE 450 CO 0.45 -0.06 1.01 0.28 -1.23 0.00 0.00 174.94 175.39 2qub h SER 451 N 8.39 0.00 -3.53 3.58 0.02 -1.61 -3.44 113.55 116.97 2qub h SER 451 Ca -0.30 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.34 2qub h SER 451 Cb 1.14 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.35 2qub h SER 451 CO 0.70 0.78 -0.73 -0.89 -1.14 0.00 0.00 176.83 175.55 2qub s THR 452 N -2.79 0.00 -0.24 -2.27 2.01 -1.17 -1.37 115.64 109.82 2qub s THR 452 Ca -0.01 0.17 -0.08 0.00 0.31 0.00 0.00 61.69 62.08 2qub s THR 452 Cb 0.09 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.43 2qub s THR 452 CO 0.80 0.10 0.09 -0.22 -0.69 0.00 0.00 174.62 174.70 2qub s LEU 453 N 1.01 3.63 -0.14 4.42 2.96 0.10 -1.61 118.68 129.05 2qub s LEU 453 Ca -0.09 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2qub s LEU 453 Cb -0.13 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2qub s LEU 453 CO -0.03 0.02 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.37 2qub s ARG 454 N 1.33 3.48 0.41 1.98 3.52 0.64 -0.54 118.95 129.77 2qub s ARG 454 Ca 0.05 -0.53 0.06 0.00 -0.13 0.00 0.00 55.73 55.18 2qub s ARG 454 Cb -0.15 -2.84 -0.07 0.00 -1.56 0.00 0.00 34.95 30.34 2qub s ARG 454 CO 0.04 0.32 0.02 -1.54 -0.81 0.00 0.00 175.30 173.34 2qub s SER 455 N 0.13 3.63 -0.20 -2.12 1.04 -0.31 -0.77 113.70 115.09 2qub s SER 455 Ca -0.02 -1.41 0.01 0.00 0.48 0.00 0.00 55.95 55.02 2qub s SER 455 Cb -0.14 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 65.79 2qub s SER 455 CO 0.03 -0.53 -0.15 -0.75 0.98 0.00 0.00 173.24 172.82 2qub s LYS 456 N -3.76 2.54 0.28 4.02 2.20 -0.44 -1.37 119.74 123.21 2qub s LYS 456 Ca 0.32 -0.95 0.09 0.00 -0.36 0.00 0.00 55.97 55.07 2qub s LYS 456 Cb 0.09 -2.58 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 2qub s LYS 456 CO 0.16 -0.35 0.04 -1.21 -0.36 0.00 0.00 175.35 173.63 2qub s GLU 457 N 1.28 2.34 -0.02 4.03 0.41 -0.08 -1.70 118.70 124.95 2qub s GLU 457 Ca 0.00 -1.44 0.01 0.00 -0.41 0.00 0.00 54.97 53.13 2qub s GLU 457 Cb -0.15 -2.18 0.01 0.00 -1.78 0.00 0.00 34.13 30.03 2qub s GLU 457 CO -0.10 0.30 -0.05 -0.08 -0.49 0.00 0.00 175.26 174.85 2qub s THR 458 N -2.34 0.46 0.21 3.63 -1.32 -1.26 -1.07 115.64 113.95 2qub s THR 458 Ca 0.33 -0.17 0.08 0.00 -1.21 0.00 0.00 61.69 60.72 2qub s THR 458 Cb -0.05 -0.44 -0.04 0.00 -1.51 0.00 0.00 72.50 70.45 2qub s THR 458 CO 0.21 0.17 -0.01 -0.44 -2.21 0.00 0.00 174.62 172.33 2qub s SER 459 N 0.35 4.63 -1.66 8.08 0.01 -0.23 -4.55 113.70 120.33 2qub s SER 459 Ca -0.04 -0.51 -0.10 0.00 1.31 0.00 0.00 55.95 56.60 2qub s SER 459 Cb -0.08 -0.92 0.10 0.00 0.21 0.00 0.00 66.02 65.33 2qub s SER 459 CO -0.00 0.05 0.37 0.79 0.41 0.00 0.00 173.24 174.86 2qub n TRP 460 N -0.42 -1.36 0.00 2.43 8.01 -1.26 -2.20 117.44 122.64 2qub n TRP 460 Ca -0.09 0.68 0.00 0.00 -1.31 0.00 0.00 57.50 56.79 2qub n TRP 460 Cb 0.57 -2.67 0.00 0.00 -2.01 0.00 0.00 31.31 27.19 2qub n TRP 460 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 2qub n LEU 461 N -4.37 0.00 0.00 -0.99 7.94 -1.26 -4.21 117.00 114.11 2qub n LEU 461 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 2qub n LEU 461 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 2qub n LEU 461 CO 0.87 0.00 -0.14 2.30 -1.11 0.00 0.00 177.39 179.32 2qub n ILE 462 N 0.00 0.00 -3.06 1.96 -5.35 -1.08 -5.00 119.36 106.83 2qub n ILE 462 Ca 0.00 -0.33 -0.43 0.00 -0.27 0.00 0.00 62.75 61.72 2qub n ILE 462 Cb 0.00 0.85 -0.06 0.00 -1.74 0.00 0.00 39.64 38.69 2qub n ILE 462 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2qub s PHE 463 N -1.21 3.01 0.37 4.28 0.08 -0.93 -4.94 117.98 118.63 2qub s PHE 463 Ca 0.00 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 2qub s PHE 463 Cb 0.00 -3.55 -0.07 0.00 -0.57 0.00 0.00 43.02 38.83 2qub s PHE 463 CO 0.00 -1.00 0.74 -0.80 -0.10 0.00 0.00 175.22 174.05 2qub s ASN 464 N 2.31 6.56 -0.21 1.36 0.01 -1.26 -1.07 114.94 122.64 2qub s ASN 464 Ca 0.23 1.11 -0.16 0.00 -0.71 0.00 0.00 52.86 53.33 2qub s ASN 464 Cb -0.15 -2.31 0.06 0.00 0.41 0.00 0.00 41.25 39.26 2qub s ASN 464 CO 0.18 -0.34 0.55 -0.75 -1.51 0.00 0.00 177.10 175.23 2qub s LYS 465 N -3.63 0.60 0.07 -0.60 2.20 -0.23 -4.98 119.74 113.17 2qub s LYS 465 Ca 0.51 0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 56.69 2qub s LYS 465 Cb -0.10 0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.37 2qub s LYS 465 CO 0.28 -0.11 0.93 -1.21 -0.36 0.00 0.00 175.35 174.88 2qub s GLU 466 N 0.80 4.63 -0.12 4.03 0.41 -1.26 -0.91 118.70 126.29 2qub s GLU 466 Ca -0.04 1.37 0.01 0.00 -0.41 0.00 0.00 54.97 55.90 2qub s GLU 466 Cb -0.05 -3.39 0.02 0.00 -1.78 0.00 0.00 34.13 28.92 2qub s GLU 466 CO -0.06 0.17 -0.13 0.08 -0.49 0.00 0.00 175.26 174.82 2qub s VAL 467 N 0.22 1.41 -0.11 2.63 1.01 -0.47 -4.96 120.40 120.13 2qub s VAL 467 Ca 0.46 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 2qub s VAL 467 Cb -0.22 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2qub s VAL 467 CO 0.28 0.43 0.24 -1.81 0.00 0.00 0.00 175.10 174.24 2qub s ASP 468 N 1.22 6.48 -0.20 3.32 1.01 -1.26 -1.16 116.67 126.09 2qub s ASP 468 Ca -0.02 0.57 0.01 0.00 0.71 0.00 0.00 52.55 53.82 2qub s ASP 468 Cb -0.14 -2.14 0.04 0.00 1.01 0.00 0.00 42.92 41.69 2qub s ASP 468 CO -0.05 0.30 -0.13 -1.00 0.21 0.00 0.00 175.17 174.49 2qub s HIS 469 N -0.56 2.60 0.06 4.23 3.76 0.30 -4.64 115.29 121.04 2qub s HIS 469 Ca 0.17 -1.66 -0.31 0.00 -0.15 0.00 0.00 55.06 53.11 2qub s HIS 469 Cb -0.13 -1.75 -0.07 0.00 1.11 0.00 0.00 32.58 31.74 2qub s HIS 469 CO 0.06 -0.77 1.38 -1.14 -0.85 0.00 0.00 174.74 173.42 2qub s GLN 470 N 1.34 4.31 -0.41 1.40 0.74 0.25 -0.72 119.66 126.58 2qub s GLN 470 Ca 0.00 2.01 -0.26 0.00 0.05 0.00 0.00 55.36 57.16 2qub s GLN 470 Cb -0.15 -3.40 0.02 0.00 1.10 0.00 0.00 33.01 30.57 2qub s GLN 470 CO -0.09 -0.48 0.93 0.08 -0.55 0.00 0.00 175.29 175.17 2qub s VAL 471 N 1.67 4.53 0.29 1.34 1.01 -0.47 -1.11 120.40 127.66 2qub s VAL 471 Ca 0.64 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.70 2qub s VAL 471 Cb -0.34 -4.38 -0.06 0.00 0.00 0.00 0.00 36.38 31.61 2qub s VAL 471 CO 0.29 -0.66 -0.02 0.42 0.00 0.00 0.00 175.10 175.12 2qub s THR 472 N 3.60 1.47 0.37 3.92 -4.23 -0.93 -4.92 115.64 114.93 2qub s THR 472 Ca 0.38 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 58.86 2qub s THR 472 Cb -0.11 -2.52 0.28 0.00 1.34 0.00 0.00 72.50 71.49 2qub s THR 472 CO 0.22 -0.23 1.99 0.00 -0.54 0.00 0.00 174.62 176.05 2qub h ALA 473 N 2.26 1.68 0.00 3.99 0.00 -1.95 -2.50 119.26 122.74 2qub h ALA 473 Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qub h ALA 473 Cb 1.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2qub h ALA 473 CO 0.68 0.24 -0.36 0.00 0.00 0.00 0.00 179.25 179.80 2qub n ALA 474 N -2.45 3.02 0.00 0.00 0.00 -1.26 -4.93 120.51 114.89 2qub n ALA 474 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2qub n ALA 474 Cb 0.16 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2qub n ALA 474 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 475 N 1.45 -0.22 3.72 0.00 0.00 -0.94 -4.30 105.19 104.91 2qub n GLY 475 Ca 0.05 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2qub n GLY 475 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qub s LEU 476 N 0.00 4.41 -0.17 0.99 1.43 -0.51 -2.19 118.68 122.65 2qub s LEU 476 Ca 0.00 1.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.66 2qub s LEU 476 Cb 0.00 -3.42 -0.00 0.00 0.03 0.00 0.00 46.19 42.80 2qub s LEU 476 CO 0.00 -0.12 -0.12 -0.75 0.23 0.00 0.00 176.35 175.58 2qub s LYS 477 N 0.48 3.28 0.02 1.70 2.20 -0.27 -0.93 119.74 126.22 2qub s LYS 477 Ca 0.45 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 2qub s LYS 477 Cb -0.21 -2.72 -0.00 0.00 -1.51 0.00 0.00 37.83 33.38 2qub s LYS 477 CO 0.26 -0.02 0.02 -1.13 -0.36 0.00 0.00 175.35 174.12 2qub n SER 478 N 4.18 -0.04 0.08 1.43 3.41 -0.63 -0.58 113.62 121.48 2qub n SER 478 Ca -0.19 -1.15 0.08 0.00 -0.26 0.00 0.00 58.87 57.34 2qub n SER 478 Cb 0.52 0.12 0.36 0.00 -0.26 0.00 0.00 64.21 64.94 2qub n SER 478 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2qub n ASP 479 N -2.90 0.34 0.03 4.04 9.92 -1.26 -1.43 116.55 125.29 2qub n ASP 479 Ca 0.01 0.63 0.11 0.00 -0.53 0.00 0.00 54.79 55.00 2qub n ASP 479 Cb 0.04 -0.68 -0.05 0.00 -0.64 0.00 0.00 41.12 39.79 2qub n ASP 479 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2qub n SER 480 N -1.92 0.51 0.00 -2.24 3.41 -1.26 -5.09 113.62 107.03 2qub n SER 480 Ca 0.01 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2qub n SER 480 Cb 0.09 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 2qub n SER 480 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qub n GLY 481 N 1.30 0.80 3.69 5.00 0.00 -0.52 -5.06 105.19 110.41 2qub n GLY 481 Ca -0.00 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 2qub n GLY 481 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qub s LEU 482 N 0.00 4.12 -0.28 0.99 2.96 -1.26 -1.61 118.68 123.60 2qub s LEU 482 Ca 0.00 0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2qub s LEU 482 Cb 0.00 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.66 2qub s LEU 482 CO 0.00 0.14 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.38 2qub s LYS 483 N 0.58 2.41 0.60 1.98 2.20 -0.10 -4.97 119.74 122.44 2qub s LYS 483 Ca 0.07 -1.26 -0.18 0.00 -0.36 0.00 0.00 55.97 54.24 2qub s LYS 483 Cb -0.12 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2qub s LYS 483 CO 0.00 -0.58 1.17 0.00 -0.36 0.00 0.00 175.35 175.57 2qub s ALA 484 N 1.21 2.55 0.32 3.13 0.00 -1.26 -1.42 121.76 126.29 2qub s ALA 484 Ca -0.06 0.87 -0.27 0.00 0.00 0.00 0.00 51.96 52.50 2qub s ALA 484 Cb -0.20 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 2qub s ALA 484 CO -0.03 -1.10 1.00 0.71 0.00 0.00 0.00 175.76 176.35 2qub s TYR 485 N -1.79 3.61 -1.42 0.00 2.02 -1.26 -4.89 117.35 113.61 2qub s TYR 485 Ca 0.74 1.75 -0.12 0.00 -0.37 0.00 0.00 57.07 59.07 2qub s TYR 485 Cb -0.27 -3.06 0.06 0.00 -0.40 0.00 0.00 41.96 38.30 2qub s TYR 485 CO 0.33 -0.12 2.20 0.00 -1.57 0.00 0.00 175.55 176.39 2qub n ALA 486 N 0.68 5.68 -3.07 3.71 0.00 -1.26 -4.88 120.51 121.37 2qub n ALA 486 Ca 0.01 -3.97 -0.12 0.00 0.00 0.00 0.00 53.44 49.36 2qub n ALA 486 Cb 0.48 -3.37 -0.07 0.00 0.00 0.00 0.00 19.45 16.50 2qub n ALA 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qub s ALA 487 N 2.30 -0.82 -0.16 0.00 0.00 -1.26 -0.36 121.76 121.47 2qub s ALA 487 Ca 0.47 0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 2qub s ALA 487 Cb 0.13 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2qub s ALA 487 CO -0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 175.76 175.23 2qub s ALA 488 N -2.54 3.03 -0.10 0.00 0.00 -0.66 -4.98 121.76 116.51 2qub s ALA 488 Ca -0.05 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2qub s ALA 488 Cb -0.01 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.55 2qub s ALA 488 CO -0.03 0.22 -0.16 0.99 0.00 0.00 0.00 175.76 176.78 2qub s THR 489 N 0.35 1.51 0.38 0.00 2.01 -1.26 -1.28 115.64 117.35 2qub s THR 489 Ca -0.04 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2qub s THR 489 Cb -0.14 -1.36 0.08 0.00 0.01 0.00 0.00 72.50 71.09 2qub s THR 489 CO 0.03 0.44 0.52 0.61 -0.69 0.00 0.00 174.62 175.53 2qub n GLY 490 N 3.97 0.30 0.00 4.40 0.00 0.74 -5.00 105.19 109.61 2qub n GLY 490 Ca -0.20 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2qub n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 491 N 1.16 6.45 0.30 -0.02 0.00 -1.25 -4.76 105.19 107.07 2qub n GLY 491 Ca 0.08 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.52 2qub n GLY 491 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qub h ASP 492 N 0.00 0.00 -4.33 1.61 3.32 -1.87 -3.29 116.42 111.85 2qub h ASP 492 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 2qub h ASP 492 Cb 0.00 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.60 2qub h ASP 492 CO 0.00 0.00 0.07 0.61 -1.72 0.00 0.00 179.24 178.20 2qub n GLY 493 N -1.34 0.55 3.57 2.75 0.00 -1.26 -3.54 105.19 105.93 2qub n GLY 493 Ca -0.03 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 2qub n GLY 493 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 494 N -3.14 6.40 0.08 1.61 1.01 -1.26 -4.42 116.67 116.94 2qub s ASP 494 Ca 0.35 -0.00 0.03 0.00 0.71 0.00 0.00 52.55 53.63 2qub s ASP 494 Cb -0.02 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2qub s ASP 494 CO 0.23 -1.52 0.09 -1.81 0.21 0.00 0.00 175.17 172.37 2qub s ASP 495 N 3.06 5.57 -0.26 0.27 1.01 -1.25 -4.94 116.67 120.13 2qub s ASP 495 Ca 0.41 0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.64 2qub s ASP 495 Cb -0.08 -1.51 0.01 0.00 1.01 0.00 0.00 42.92 42.35 2qub s ASP 495 CO 0.24 0.18 0.00 -0.69 0.21 0.00 0.00 175.17 175.10 2qub s VAL 496 N -1.39 3.48 -0.26 -1.27 1.01 -1.26 -0.71 120.40 120.00 2qub s VAL 496 Ca 0.29 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2qub s VAL 496 Cb -0.12 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.58 2qub s VAL 496 CO 0.22 0.22 -0.08 -0.76 0.00 0.00 0.00 175.10 174.70 2qub s LEU 497 N 1.45 3.37 -0.22 3.92 1.43 -0.12 -4.99 118.68 123.52 2qub s LEU 497 Ca 0.03 -1.17 -0.09 0.00 -1.03 0.00 0.00 54.13 51.87 2qub s LEU 497 Cb -0.16 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2qub s LEU 497 CO -0.01 -0.17 0.10 -1.58 0.23 0.00 0.00 176.35 174.91 2qub s GLN 498 N 1.21 3.93 0.29 1.70 0.74 -1.26 -0.69 119.66 125.58 2qub s GLN 498 Ca -0.05 -0.35 -0.30 0.00 0.05 0.00 0.00 55.36 54.72 2qub s GLN 498 Cb -0.18 -3.36 -0.11 0.00 1.10 0.00 0.00 33.01 30.45 2qub s GLN 498 CO -0.05 0.08 1.50 0.00 -0.55 0.00 0.00 175.29 176.27 2qub s ALA 499 N 0.94 3.65 0.44 1.58 0.00 -0.65 -4.99 121.76 122.73 2qub s ALA 499 Ca 0.05 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.48 2qub s ALA 499 Cb -0.14 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.39 2qub s ALA 499 CO 0.03 -0.88 0.65 1.03 0.00 0.00 0.00 175.76 176.59 2qub s ARG 500 N -0.84 3.02 0.36 0.00 0.52 -1.26 -4.81 118.95 115.94 2qub s ARG 500 Ca 0.59 -0.59 0.13 0.00 -0.52 0.00 0.00 55.73 55.33 2qub s ARG 500 Cb -0.45 -2.59 0.94 0.00 0.52 0.00 0.00 34.95 33.37 2qub s ARG 500 CO 0.49 -0.27 1.80 0.66 0.02 0.00 0.00 175.30 178.00 2qub h SER 501 N 0.43 0.58 -0.26 0.23 4.64 -2.03 -1.13 113.55 116.01 2qub h SER 501 Ca -0.46 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2qub h SER 501 Cb 1.26 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2qub h SER 501 CO 0.56 0.20 0.00 1.41 -0.87 0.00 0.00 176.83 178.13 2qub n HIS 502 N -4.64 0.33 -1.93 4.77 8.25 -1.26 -4.95 115.22 115.79 2qub n HIS 502 Ca 0.22 -0.20 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2qub n HIS 502 Cb 0.68 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.77 2qub n HIS 502 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qub s ASP 503 N -1.38 6.54 -0.01 0.41 1.01 -0.43 -4.77 116.67 118.04 2qub s ASP 503 Ca 0.30 2.83 0.07 0.00 0.71 0.00 0.00 52.55 56.46 2qub s ASP 503 Cb 0.18 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.38 2qub s ASP 503 CO 0.26 -0.76 0.19 0.00 0.21 0.00 0.00 175.17 175.07 2qub n ALA 504 N 1.53 2.46 -2.85 5.23 0.00 0.52 -4.87 120.51 122.52 2qub n ALA 504 Ca 0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 2qub n ALA 504 Cb 0.40 -0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.50 2qub n ALA 504 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qub s TRP 505 N -2.16 0.63 -0.13 0.00 0.52 -1.07 -0.85 118.94 115.88 2qub s TRP 505 Ca -0.01 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.67 2qub s TRP 505 Cb 0.04 -0.38 0.02 0.00 -1.15 0.00 0.00 33.47 32.00 2qub s TRP 505 CO 0.27 -0.08 -0.13 -0.51 0.02 0.00 0.00 176.95 176.52 2qub s LEU 506 N -1.40 1.59 -0.35 2.99 1.43 -0.45 -1.66 118.68 120.83 2qub s LEU 506 Ca -0.09 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2qub s LEU 506 Cb -0.09 -1.08 0.07 0.00 0.03 0.00 0.00 46.19 45.12 2qub s LEU 506 CO 0.00 -0.05 0.09 -0.36 0.23 0.00 0.00 176.35 176.27 2qub s PHE 507 N 1.38 3.40 0.26 0.29 0.08 -0.40 -0.73 117.98 122.27 2qub s PHE 507 Ca 0.02 -2.06 0.08 0.00 0.12 0.00 0.00 56.93 55.09 2qub s PHE 507 Cb -0.13 -2.59 0.31 0.00 -0.57 0.00 0.00 43.02 40.04 2qub s PHE 507 CO -0.08 -0.87 1.59 0.78 -0.10 0.00 0.00 175.22 176.55 2qub h GLY 508 N 8.03 0.08 0.00 4.36 0.00 -1.31 0.21 103.07 114.45 2qub h GLY 508 Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2qub h GLY 508 CO 0.61 0.10 0.00 0.70 0.00 0.00 0.00 176.54 177.94 2qub n ASN 509 N -3.82 -0.32 -4.64 0.19 3.02 -1.22 -3.96 115.26 104.50 2qub n ASN 509 Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.24 2qub n ASN 509 Cb 0.62 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.97 2qub n ASN 509 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qub s ALA 510 N -1.89 0.98 0.00 5.41 0.00 -1.24 -3.80 121.76 121.21 2qub s ALA 510 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2qub s ALA 510 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2qub s ALA 510 CO 0.00 -2.87 0.00 0.41 0.00 0.00 0.00 175.76 173.30 2qub n GLY 511 N -0.19 -1.47 3.45 0.00 0.00 -1.23 -4.24 105.19 101.50 2qub n GLY 511 Ca 0.07 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 44.11 2qub n GLY 511 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 512 N -3.28 6.23 0.18 1.61 0.01 -1.26 -4.23 114.94 114.20 2qub s ASN 512 Ca 0.00 -0.91 0.07 0.00 -0.71 0.00 0.00 52.86 51.31 2qub s ASN 512 Cb 0.00 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 2qub s ASN 512 CO 0.00 -0.94 0.02 -1.81 -1.51 0.00 0.00 177.10 172.87 2qub s ASP 513 N 2.78 4.89 -0.23 -1.22 1.01 -1.25 -3.90 116.67 118.75 2qub s ASP 513 Ca 0.16 -0.37 -0.03 0.00 0.71 0.00 0.00 52.55 53.03 2qub s ASP 513 Cb -0.19 -1.08 0.01 0.00 1.01 0.00 0.00 42.92 42.67 2qub s ASP 513 CO 0.12 0.08 -0.06 -0.89 0.21 0.00 0.00 175.17 174.62 2qub s THR 514 N -1.77 3.06 -0.28 -1.27 2.01 0.11 -0.25 115.64 117.24 2qub s THR 514 Ca 0.28 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 2qub s THR 514 Cb -0.09 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 2qub s THR 514 CO 0.19 0.35 0.08 -0.76 -0.69 0.00 0.00 174.62 173.79 2qub s LEU 515 N 1.40 3.73 -0.19 4.42 1.02 0.56 -0.95 118.68 128.67 2qub s LEU 515 Ca 0.04 -0.58 -0.04 0.00 0.02 0.00 0.00 54.13 53.56 2qub s LEU 515 Cb -0.15 -1.89 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 2qub s LEU 515 CO -0.05 -0.15 -0.02 -0.63 0.02 0.00 0.00 176.35 175.52 2qub s ILE 516 N 1.53 3.73 0.12 -0.59 1.01 0.13 -0.59 121.20 126.53 2qub s ILE 516 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 2qub s ILE 516 Cb -0.17 -2.68 0.03 0.00 0.01 0.00 0.00 42.46 39.66 2qub s ILE 516 CO 0.03 0.44 0.15 0.61 0.00 0.00 0.00 174.94 176.17 2qub n GLY 517 N 4.25 -1.38 3.13 6.18 0.00 -0.57 -1.64 105.19 115.16 2qub n GLY 517 Ca -0.17 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 2qub n GLY 517 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qub s HIS 518 N -1.32 0.75 0.43 1.61 -3.43 -1.26 -4.57 115.29 107.50 2qub s HIS 518 Ca 0.09 -1.11 0.19 0.00 -0.80 0.00 0.00 55.06 53.43 2qub s HIS 518 Cb -0.00 -0.47 1.13 0.00 -1.43 0.00 0.00 32.58 31.82 2qub s HIS 518 CO 0.06 -0.39 1.86 0.00 -2.00 0.00 0.00 174.74 174.28 2qub h ALA 519 N 2.99 2.28 0.00 -1.38 0.00 -1.97 -0.50 119.26 120.67 2qub h ALA 519 Ca -0.35 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qub h ALA 519 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qub h ALA 519 CO 0.63 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2qub n GLY 520 N -1.54 -1.38 7.00 0.00 0.00 -1.26 -4.49 105.19 103.52 2qub n GLY 520 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qub n GLY 520 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 521 N 1.04 1.69 3.53 -0.02 0.00 -0.19 -4.67 105.19 106.56 2qub n GLY 521 Ca 0.06 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 2qub n GLY 521 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qub n ASN 522 N -1.71 -4.84 -4.56 1.61 5.03 -0.16 -4.91 115.26 105.73 2qub n ASN 522 Ca 0.00 -0.54 -0.34 0.00 0.87 0.00 0.00 54.58 54.58 2qub n ASN 522 Cb 0.00 -3.90 -0.12 0.00 -1.02 0.00 0.00 39.78 34.74 2qub n ASN 522 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2qub s LEU 523 N -6.90 3.11 -0.28 3.41 2.96 -1.26 -4.83 118.68 114.88 2qub s LEU 523 Ca 0.50 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 54.25 2qub s LEU 523 Cb -0.25 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2qub s LEU 523 CO 0.62 0.34 0.17 -0.89 -1.32 0.00 0.00 176.35 175.27 2qub s THR 524 N -0.69 5.09 -0.25 3.68 2.01 -0.03 -1.13 115.64 124.33 2qub s THR 524 Ca 0.10 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.02 2qub s THR 524 Cb -0.11 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2qub s THR 524 CO 0.02 0.24 0.32 -0.36 -0.69 0.00 0.00 174.62 174.15 2qub s PHE 525 N 1.72 3.29 -0.43 4.92 0.08 0.78 -1.34 117.98 126.99 2qub s PHE 525 Ca 0.07 0.40 0.02 0.00 0.12 0.00 0.00 56.93 57.54 2qub s PHE 525 Cb -0.16 -2.49 0.13 0.00 -0.57 0.00 0.00 43.02 39.93 2qub s PHE 525 CO 0.09 -0.12 0.21 0.08 -0.10 0.00 0.00 175.22 175.38 2qub s VAL 526 N 1.68 1.73 0.46 -0.44 1.01 0.09 -1.52 120.40 123.41 2qub s VAL 526 Ca 0.14 -2.59 0.19 0.00 0.00 0.00 0.00 61.98 59.71 2qub s VAL 526 Cb -0.15 -2.23 0.23 0.00 0.00 0.00 0.00 36.38 34.23 2qub s VAL 526 CO 0.09 -0.81 2.04 1.23 0.00 0.00 0.00 175.10 177.65 2qub h GLY 527 N 6.93 0.00 0.00 4.51 0.00 -1.80 -0.95 103.07 111.75 2qub h GLY 527 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2qub h GLY 527 CO 0.54 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.69 2qub n GLY 528 N -1.01 -0.85 3.61 4.60 0.00 -1.26 -3.46 105.19 106.82 2qub n GLY 528 Ca -0.02 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 2qub n GLY 528 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qub s SER 529 N -4.00 2.25 0.00 1.61 1.04 -1.25 -4.62 113.70 108.74 2qub s SER 529 Ca 0.00 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2qub s SER 529 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2qub s SER 529 CO 0.00 -3.45 0.00 0.61 0.98 0.00 0.00 173.24 171.38 2qub n GLY 530 N 0.14 -0.97 3.43 7.32 0.00 -1.26 -3.98 105.19 109.88 2qub n GLY 530 Ca 0.07 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 43.99 2qub n GLY 530 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 531 N -2.83 6.20 0.07 1.61 1.01 -1.26 -3.97 116.67 117.49 2qub s ASP 531 Ca 0.00 -1.05 0.04 0.00 0.71 0.00 0.00 52.55 52.26 2qub s ASP 531 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2qub s ASP 531 CO 0.00 -0.80 -0.02 -1.81 0.21 0.00 0.00 175.17 172.76 2qub s ASP 532 N 2.63 4.93 -0.22 0.27 1.01 -1.23 -3.88 116.67 120.17 2qub s ASP 532 Ca 0.11 -0.16 -0.09 0.00 0.71 0.00 0.00 52.55 53.12 2qub s ASP 532 Cb -0.21 -1.17 -0.04 0.00 1.01 0.00 0.00 42.92 42.51 2qub s ASP 532 CO 0.10 0.21 0.11 -0.63 0.21 0.00 0.00 175.17 175.16 2qub s ILE 533 N -1.22 4.92 -0.26 0.77 1.01 0.65 -1.62 121.20 125.44 2qub s ILE 533 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2qub s ILE 533 Cb -0.12 -3.27 0.05 0.00 0.01 0.00 0.00 42.46 39.13 2qub s ILE 533 CO 0.15 0.38 -0.07 -0.76 0.00 0.00 0.00 174.94 174.64 2qub s LEU 534 N 0.97 3.44 -0.59 2.97 1.43 -0.12 -0.32 118.68 126.46 2qub s LEU 534 Ca 0.05 -1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 51.84 2qub s LEU 534 Cb -0.14 -1.62 0.15 0.00 0.03 0.00 0.00 46.19 44.61 2qub s LEU 534 CO 0.03 -0.18 0.50 -0.54 0.23 0.00 0.00 176.35 176.38 2qub s LYS 535 N 1.21 2.90 0.27 1.70 -0.14 0.24 -0.58 119.74 125.33 2qub s LYS 535 Ca -0.05 -1.97 -0.29 0.00 -1.36 0.00 0.00 55.97 52.29 2qub s LYS 535 Cb -0.19 -4.14 -0.09 0.00 -1.68 0.00 0.00 37.83 31.73 2qub s LYS 535 CO -0.04 -1.26 1.17 0.20 -0.76 0.00 0.00 175.35 174.66 2qub s GLY 536 N 2.67 2.95 -0.03 -3.33 0.00 0.17 -1.51 107.32 108.25 2qub s GLY 536 Ca 0.09 1.00 0.01 0.00 0.00 0.00 0.00 44.72 45.82 2qub s GLY 536 CO -0.02 1.69 -0.05 0.14 0.00 0.00 0.00 173.10 174.86 2qub s VAL 537 N -0.88 0.52 0.00 1.40 1.01 -1.26 -4.48 120.40 116.70 2qub s VAL 537 Ca 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2qub s VAL 537 Cb -0.34 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2qub s VAL 537 CO 0.43 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2qub n GLY 538 N 3.63 0.30 3.61 4.51 0.00 -1.26 -3.89 105.19 112.08 2qub n GLY 538 Ca -0.21 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 2qub n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 539 N -4.00 4.22 -0.64 1.61 0.01 -1.26 -4.74 114.94 110.13 2qub s ASN 539 Ca 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.30 2qub s ASN 539 Cb 0.00 -0.62 0.00 0.00 0.41 0.00 0.00 41.25 41.04 2qub s ASN 539 CO 0.00 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 2qub n GLY 540 N -0.87 0.64 3.84 0.66 0.00 -1.23 -0.98 105.19 107.24 2qub n GLY 540 Ca -0.05 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 2qub n GLY 540 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 541 N -2.86 6.76 -0.07 1.61 0.01 -1.26 -3.47 114.94 115.65 2qub s ASN 541 Ca 0.00 1.55 0.05 0.00 -0.71 0.00 0.00 52.86 53.75 2qub s ASN 541 Cb 0.00 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 2qub s ASN 541 CO 0.00 -0.44 -0.24 -0.89 -1.51 0.00 0.00 177.10 174.02 2qub s THR 542 N -2.36 2.12 -0.24 1.60 2.01 -0.28 -1.26 115.64 117.23 2qub s THR 542 Ca 0.59 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2qub s THR 542 Cb -0.10 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.64 2qub s THR 542 CO 0.22 0.57 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.33 2qub s PHE 543 N -0.01 3.02 -0.11 4.92 0.08 0.48 -0.16 117.98 126.20 2qub s PHE 543 Ca -0.08 -1.13 0.01 0.00 0.12 0.00 0.00 56.93 55.85 2qub s PHE 543 Cb -0.15 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2qub s PHE 543 CO 0.05 -0.61 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.26 2qub s LEU 544 N 1.44 2.73 -0.02 -0.37 2.96 -0.57 -1.11 118.68 123.74 2qub s LEU 544 Ca 0.04 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2qub s LEU 544 Cb -0.15 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2qub s LEU 544 CO -0.03 0.22 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.84 2qub s PHE 545 N 0.01 0.34 -0.03 5.38 0.08 -0.06 -4.40 117.98 119.29 2qub s PHE 545 Ca -0.04 -0.04 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 2qub s PHE 545 Cb -0.14 -0.32 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 2qub s PHE 545 CO 0.04 -0.07 0.16 0.45 -0.10 0.00 0.00 175.22 175.70 2qub s SER 546 N 0.46 -0.09 0.88 1.36 0.15 -1.26 -1.65 113.70 113.55 2qub s SER 546 Ca -0.05 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2qub s SER 546 Cb -0.08 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2qub s SER 546 CO -0.01 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2qub n GLY 547 N 2.23 2.17 3.54 9.45 0.00 -1.05 -3.89 105.19 117.64 2qub n GLY 547 Ca -0.17 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 2qub n GLY 547 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 548 N -4.00 6.17 0.00 1.61 1.01 -1.26 -4.69 116.67 115.51 2qub s ASP 548 Ca 0.00 -0.50 0.21 0.00 0.71 0.00 0.00 52.55 52.96 2qub s ASP 548 Cb 0.00 -2.54 0.50 0.00 1.01 0.00 0.00 42.92 41.89 2qub s ASP 548 CO 0.00 -1.78 1.42 2.22 0.21 0.00 0.00 175.17 177.25 2qub n PHE 549 N 9.13 0.70 -4.30 4.23 1.16 -1.25 -4.61 117.46 122.52 2qub n PHE 549 Ca 0.02 -0.40 0.00 0.00 -1.87 0.00 0.00 57.45 55.21 2qub n PHE 549 Cb 0.49 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 2qub n PHE 549 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2qub n GLY 550 N 1.39 -0.84 3.15 4.97 0.00 -1.26 -4.31 105.19 108.28 2qub n GLY 550 Ca 0.20 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2qub n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qub s ARG 551 N 0.00 2.24 0.18 1.61 0.52 -1.25 -1.60 118.95 120.65 2qub s ARG 551 Ca 0.00 -1.47 0.04 0.00 -0.52 0.00 0.00 55.73 53.78 2qub s ARG 551 Cb 0.00 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 2qub s ARG 551 CO 0.00 -0.78 0.25 -0.51 0.02 0.00 0.00 175.30 174.29 2qub s ASP 552 N 1.40 6.03 -0.10 0.23 1.11 -0.43 -3.55 116.67 121.36 2qub s ASP 552 Ca -0.00 0.02 0.04 0.00 0.18 0.00 0.00 52.55 52.79 2qub s ASP 552 Cb -0.21 -1.72 -0.00 0.00 1.07 0.00 0.00 42.92 42.06 2qub s ASP 552 CO -0.02 0.02 -0.24 -1.10 1.18 0.00 0.00 175.17 175.01 2qub s GLN 553 N -3.43 2.99 -0.23 8.23 -0.21 -0.64 -1.43 119.66 124.93 2qub s GLN 553 Ca 0.33 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.84 2qub s GLN 553 Cb -0.10 -2.29 0.04 0.00 1.00 0.00 0.00 33.01 31.66 2qub s GLN 553 CO 0.27 0.20 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.36 2qub s LEU 554 N 0.28 3.00 0.01 2.90 0.20 0.87 -0.94 118.68 124.99 2qub s LEU 554 Ca -0.17 -1.02 -0.00 0.00 0.69 0.00 0.00 54.13 53.63 2qub s LEU 554 Cb -0.17 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.98 2qub s LEU 554 CO 0.08 -0.12 0.12 -0.31 -0.29 0.00 0.00 176.35 175.83 2qub s TYR 555 N 1.23 3.36 -0.12 5.38 2.02 0.25 -1.11 117.35 128.36 2qub s TYR 555 Ca -0.02 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 2qub s TYR 555 Cb -0.17 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2qub s TYR 555 CO -0.07 0.57 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 2qub n GLY 556 N 0.94 0.49 3.76 0.71 0.00 -1.26 -0.65 105.19 109.18 2qub n GLY 556 Ca -0.11 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 2qub n GLY 556 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qub s PHE 557 N -2.02 2.51 0.35 1.61 5.36 -1.26 -4.73 117.98 119.80 2qub s PHE 557 Ca 0.00 1.32 -0.01 0.00 -0.96 0.00 0.00 56.93 57.28 2qub s PHE 557 Cb 0.00 -3.84 -0.00 0.00 -0.34 0.00 0.00 43.02 38.84 2qub s PHE 557 CO 0.00 -2.73 0.46 0.54 -1.46 0.00 0.00 175.22 172.03 2qub s ASN 558 N -0.64 1.08 0.44 6.13 2.20 -1.26 -5.02 114.94 117.88 2qub s ASN 558 Ca 0.62 -1.55 0.30 0.00 -0.94 0.00 0.00 52.86 51.29 2qub s ASN 558 Cb -0.42 0.66 1.56 0.00 -2.00 0.00 0.00 41.25 41.06 2qub s ASN 558 CO 0.53 -1.29 1.93 0.00 -2.94 0.00 0.00 177.10 175.33 2qub h ALA 559 N 2.09 1.00 -0.01 3.54 0.00 -1.95 -1.78 119.26 122.15 2qub h ALA 559 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qub h ALA 559 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qub h ALA 559 CO 0.38 0.00 -0.54 -1.13 0.00 0.00 0.00 179.25 177.96 2qub n SER 560 N -2.60 1.23 -4.93 0.00 3.41 -1.26 -4.97 113.62 104.50 2qub n SER 560 Ca -0.01 -0.99 -0.26 0.00 -0.26 0.00 0.00 58.87 57.35 2qub n SER 560 Cb 0.10 0.46 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 2qub n SER 560 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qub s ASP 561 N -2.70 5.39 0.00 4.04 1.01 -0.67 -3.52 116.67 120.22 2qub s ASP 561 Ca 0.16 0.58 0.01 0.00 0.71 0.00 0.00 52.55 54.01 2qub s ASP 561 Cb 0.18 -1.49 -0.00 0.00 1.01 0.00 0.00 42.92 42.61 2qub s ASP 561 CO 0.65 -1.18 -0.03 -0.75 0.21 0.00 0.00 175.17 174.07 2qub s LYS 562 N -5.01 0.21 -0.10 8.23 2.20 -0.39 -4.76 119.74 120.11 2qub s LYS 562 Ca 0.55 -0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 55.98 2qub s LYS 562 Cb -0.11 -0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.03 2qub s LYS 562 CO 0.44 0.04 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.94 2qub s LEU 563 N -0.27 3.42 -0.08 5.43 1.43 0.31 -0.39 118.68 128.54 2qub s LEU 563 Ca -0.01 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2qub s LEU 563 Cb -0.02 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.44 2qub s LEU 563 CO -0.00 0.33 -0.03 -0.69 0.23 0.00 0.00 176.35 176.18 2qub s VAL 564 N -0.57 0.63 -0.19 -1.59 1.01 -0.26 -1.20 120.40 118.23 2qub s VAL 564 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2qub s VAL 564 Cb -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2qub s VAL 564 CO 0.02 0.29 -0.12 -0.36 0.00 0.00 0.00 175.10 174.93 2qub s PHE 565 N 1.71 2.86 -0.11 5.22 0.08 -0.14 -0.88 117.98 126.72 2qub s PHE 565 Ca 0.02 -1.20 0.01 0.00 0.12 0.00 0.00 56.93 55.88 2qub s PHE 565 Cb -0.13 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2qub s PHE 565 CO -0.05 -0.62 -0.14 0.42 -0.10 0.00 0.00 175.22 174.73 2qub s ILE 566 N 1.27 1.41 -1.23 0.64 1.01 -0.66 -0.83 121.20 122.81 2qub s ILE 566 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 2qub s ILE 566 Cb -0.14 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2qub s ILE 566 CO -0.06 0.43 1.01 0.61 0.00 0.00 0.00 174.94 176.93 2qub n GLY 567 N 4.32 -0.39 3.81 6.18 0.00 -0.30 -2.87 105.19 115.94 2qub n GLY 567 Ca -0.18 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2qub n GLY 567 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qub s THR 568 N -3.37 3.29 0.52 2.61 -4.23 -1.26 -2.52 115.64 110.68 2qub s THR 568 Ca 0.09 -1.50 -0.23 0.00 -1.18 0.00 0.00 61.69 58.88 2qub s THR 568 Cb -0.04 -3.10 -0.06 0.00 1.34 0.00 0.00 72.50 70.64 2qub s THR 568 CO 0.74 -0.17 1.37 -0.62 -0.54 0.00 0.00 174.62 175.39 2qub n GLU 569 N -1.29 1.83 0.00 3.99 1.02 -1.26 -4.84 120.64 120.09 2qub n GLU 569 Ca -0.02 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2qub n GLU 569 Cb 0.60 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 2qub n GLU 569 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qub n GLY 570 N 0.72 2.11 0.06 0.62 0.00 -1.26 -4.86 105.19 102.58 2qub n GLY 570 Ca 0.09 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.61 2qub n GLY 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qub n ALA 571 N 1.99 2.53 -1.77 4.61 0.00 -1.26 -4.82 120.51 121.79 2qub n ALA 571 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 2qub n ALA 571 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 2qub n ALA 571 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qub s SER 572 N -4.97 6.61 0.00 0.00 0.15 -1.26 -4.93 113.70 109.31 2qub s SER 572 Ca -0.06 2.79 0.20 0.00 0.70 0.00 0.00 55.95 59.59 2qub s SER 572 Cb 0.12 -2.65 0.53 0.00 -1.71 0.00 0.00 66.02 62.30 2qub s SER 572 CO 0.86 -0.66 1.44 0.61 1.20 0.00 0.00 173.24 176.70 2qub n GLY 573 N 0.69 1.38 3.30 9.45 0.00 -1.26 -4.87 105.19 113.87 2qub n GLY 573 Ca 0.01 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2qub n GLY 573 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qub s ASN 574 N -1.31 4.96 0.57 1.61 2.47 -1.26 -4.84 114.94 117.14 2qub s ASN 574 Ca 0.37 -0.82 0.26 0.00 0.42 0.00 0.00 52.86 53.09 2qub s ASN 574 Cb 0.20 -1.82 1.63 0.00 -1.45 0.00 0.00 41.25 39.81 2qub s ASN 574 CO 0.28 -0.20 2.18 -0.29 -3.72 0.00 0.00 177.10 175.36 2qub h ILE 575 N 5.99 0.64 0.00 -5.21 6.09 -1.98 -1.46 117.51 121.58 2qub h ILE 575 Ca -0.30 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.18 2qub h ILE 575 Cb 1.11 0.95 -0.00 0.00 0.47 0.00 0.00 36.82 39.35 2qub h ILE 575 CO 0.59 0.00 -0.05 0.03 -3.07 0.00 0.00 178.15 175.65 2qub h ARG 576 N 0.00 0.00 0.00 2.19 3.08 -1.95 -0.94 114.38 116.76 2qub h ARG 576 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2qub h ARG 576 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2qub h ARG 576 CO -0.00 0.05 0.00 -0.25 -1.07 0.00 0.00 179.97 178.70 2qub n ASP 577 N -4.43 0.58 -0.00 7.04 8.00 -0.55 -2.33 116.55 124.86 2qub n ASP 577 Ca -0.03 0.64 0.09 0.00 0.71 0.00 0.00 54.79 56.21 2qub n ASP 577 Cb 0.13 -0.77 -0.12 0.00 -0.02 0.00 0.00 41.12 40.35 2qub n ASP 577 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2qub n TYR 578 N -2.14 0.00 -3.64 1.24 4.01 -0.37 -5.02 117.16 111.24 2qub n TYR 578 Ca 0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 2qub n TYR 578 Cb 0.22 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.12 2qub n TYR 578 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qub s ALA 579 N -2.95 3.77 -0.04 -0.72 0.00 -0.98 -1.74 121.76 119.09 2qub s ALA 579 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2qub s ALA 579 Cb 0.15 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 21.06 2qub s ALA 579 CO 0.81 0.54 0.11 0.95 0.00 0.00 0.00 175.76 178.18 2qub s THR 580 N -1.10 -0.01 -0.21 0.00 -4.23 -0.70 -5.00 115.64 104.38 2qub s THR 580 Ca 0.22 0.05 -0.23 0.00 -1.18 0.00 0.00 61.69 60.55 2qub s THR 580 Cb -0.15 -0.17 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 2qub s THR 580 CO 0.11 0.02 0.72 -1.58 -0.54 0.00 0.00 174.62 173.35 2qub s GLN 581 N 0.34 4.21 -0.48 3.99 2.00 -1.26 -0.99 119.66 127.47 2qub s GLN 581 Ca -0.02 0.77 -0.02 0.00 -2.00 0.00 0.00 55.36 54.09 2qub s GLN 581 Cb -0.04 -3.60 0.13 0.00 0.80 0.00 0.00 33.01 30.30 2qub s GLN 581 CO -0.01 -0.34 0.27 -0.65 -0.50 0.00 0.00 175.29 174.06 2qub s GLN 582 N 2.23 2.15 7.41 1.67 -0.21 0.24 -4.98 119.66 128.16 2qub s GLN 582 Ca 0.32 -2.08 0.00 0.00 0.02 0.00 0.00 55.36 53.62 2qub s GLN 582 Cb -0.16 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.25 2qub s GLN 582 CO 0.10 -1.10 0.00 0.09 -2.12 0.00 0.00 175.29 172.26 2qub n ASN 583 N 4.17 0.00 -0.61 5.90 4.13 -1.26 -1.04 115.26 126.55 2qub n ASN 583 Ca 0.01 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.35 2qub n ASN 583 Cb 0.40 0.00 0.24 0.00 -1.54 0.00 0.00 39.78 38.88 2qub n ASN 583 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2qub n ASP 584 N 6.99 1.80 -4.45 6.41 9.92 -1.26 -4.89 116.55 131.06 2qub n ASP 584 Ca 0.00 -1.89 -0.29 0.00 -0.53 0.00 0.00 54.79 52.08 2qub n ASP 584 Cb 0.00 -0.19 -0.12 0.00 -0.64 0.00 0.00 41.12 40.17 2qub n ASP 584 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2qub s ASP 585 N -1.22 3.66 -0.24 -2.24 1.01 -0.20 -1.55 116.67 115.89 2qub s ASP 585 Ca 0.27 -0.64 -0.04 0.00 0.71 0.00 0.00 52.55 52.85 2qub s ASP 585 Cb 0.14 -0.41 0.00 0.00 1.01 0.00 0.00 42.92 43.66 2qub s ASP 585 CO 0.20 0.18 -0.02 -0.22 0.21 0.00 0.00 175.17 175.52 2qub s LEU 586 N -2.13 3.16 -0.31 1.23 2.96 -0.40 -0.59 118.68 122.59 2qub s LEU 586 Ca 0.17 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 2qub s LEU 586 Cb -0.10 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2qub s LEU 586 CO 0.09 -0.08 0.25 -0.69 -1.32 0.00 0.00 176.35 174.60 2qub s VAL 587 N 1.45 5.27 -0.43 1.68 1.01 -0.16 -0.51 120.40 128.70 2qub s VAL 587 Ca 0.04 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 2qub s VAL 587 Cb -0.15 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2qub s VAL 587 CO -0.02 0.08 0.33 -0.76 0.00 0.00 0.00 175.10 174.74 2qub s LEU 588 N 1.80 5.30 -0.23 3.92 1.43 -0.36 -1.72 118.68 128.82 2qub s LEU 588 Ca 0.08 -1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 52.03 2qub s LEU 588 Cb -0.17 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 2qub s LEU 588 CO 0.11 -0.52 0.13 0.00 0.23 0.00 0.00 176.35 176.29 2qub s ALA 589 N 1.66 3.51 -0.49 4.21 0.00 -0.71 -1.47 121.76 128.47 2qub s ALA 589 Ca 0.05 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2qub s ALA 589 Cb -0.21 -2.21 0.39 0.00 0.00 0.00 0.00 23.12 21.09 2qub s ALA 589 CO 0.09 -0.16 1.03 1.19 0.00 0.00 0.00 175.76 177.91 2qub n PHE 590 N 4.22 3.58 0.00 0.00 3.72 0.17 -4.82 117.46 124.33 2qub n PHE 590 Ca -0.15 -3.49 0.00 0.00 -0.05 0.00 0.00 57.45 53.75 2qub n PHE 590 Cb 0.52 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2qub n PHE 590 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qub n GLY 591 N -0.36 1.95 0.21 1.37 0.00 -1.26 -2.29 105.19 104.81 2qub n GLY 591 Ca 0.35 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.64 2qub n GLY 591 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2qub h HIS 592 N 0.00 0.00 -2.28 1.61 3.86 -1.97 -3.44 115.15 112.93 2qub h HIS 592 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 2qub h HIS 592 Cb 0.00 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.37 2qub h HIS 592 CO 0.00 0.00 -0.65 -1.12 0.86 0.00 0.00 177.93 177.02 2qub s SER 593 N -5.12 4.54 -0.02 2.45 0.01 -0.97 -4.69 113.70 109.90 2qub s SER 593 Ca 0.03 -0.63 -0.29 0.00 1.31 0.00 0.00 55.95 56.38 2qub s SER 593 Cb 0.09 -0.85 0.10 0.00 0.21 0.00 0.00 66.02 65.58 2qub s SER 593 CO 0.50 0.01 0.88 0.00 0.41 0.00 0.00 173.24 175.05 2qub s GLN 594 N -3.59 0.81 -0.05 12.44 -2.07 -0.63 0.42 119.66 126.99 2qub s GLN 594 Ca 0.31 -0.22 0.02 0.00 -1.82 0.00 0.00 55.36 53.65 2qub s GLN 594 Cb -0.07 0.38 0.01 0.00 -1.09 0.00 0.00 33.01 32.24 2qub s GLN 594 CO 0.20 -0.34 -0.11 0.54 -1.32 0.00 0.00 175.29 174.26 2qub s VAL 595 N -2.79 0.99 -0.27 3.63 0.11 -0.54 -1.31 120.40 120.22 2qub s VAL 595 Ca 0.03 -0.43 -0.10 0.00 -2.93 0.00 0.00 61.98 58.56 2qub s VAL 595 Cb -0.01 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2qub s VAL 595 CO -0.07 0.31 0.15 -0.89 -3.33 0.00 0.00 175.10 171.27 2qub s THR 596 N 0.48 4.98 -0.36 5.04 2.01 -0.52 -1.22 115.64 126.05 2qub s THR 596 Ca -0.10 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 2qub s THR 596 Cb -0.13 -3.36 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 2qub s THR 596 CO 0.02 0.28 0.50 -0.76 -0.69 0.00 0.00 174.62 173.97 2qub s LEU 597 N 1.69 4.42 0.12 4.42 1.02 0.33 -0.09 118.68 130.58 2qub s LEU 597 Ca 0.07 -0.13 -0.30 0.00 0.02 0.00 0.00 54.13 53.78 2qub s LEU 597 Cb -0.16 -2.55 -0.06 0.00 0.02 0.00 0.00 46.19 43.44 2qub s LEU 597 CO 0.08 -0.50 1.02 -0.63 0.02 0.00 0.00 176.35 176.35 2qub s ILE 598 N 2.36 4.31 -1.12 -0.59 1.09 -0.27 -1.28 121.20 125.71 2qub s ILE 598 Ca 0.18 1.90 0.00 0.00 -1.10 0.00 0.00 60.65 61.62 2qub s ILE 598 Cb -0.16 -4.21 0.00 0.00 -1.06 0.00 0.00 42.46 37.03 2qub s ILE 598 CO 0.14 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.86 2qub n GLY 599 N 2.32 0.13 3.24 6.18 0.00 -0.59 -4.55 105.19 111.92 2qub n GLY 599 Ca 0.03 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 2qub n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qub s VAL 600 N -2.59 1.60 0.09 1.61 1.01 -0.84 -4.98 120.40 116.30 2qub s VAL 600 Ca 0.00 -1.19 0.09 0.00 0.00 0.00 0.00 61.98 60.88 2qub s VAL 600 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2qub s VAL 600 CO 0.00 0.17 -0.23 -0.94 0.00 0.00 0.00 175.10 174.09 2qub s SER 601 N -1.21 2.82 0.38 3.32 1.04 -1.26 -3.02 113.70 115.77 2qub s SER 601 Ca 0.07 -0.66 0.10 0.00 0.48 0.00 0.00 55.95 55.94 2qub s SER 601 Cb -0.09 -0.19 0.85 0.00 0.10 0.00 0.00 66.02 66.69 2qub s SER 601 CO 0.02 0.14 1.92 0.25 0.98 0.00 0.00 173.24 176.55 2qub h LEU 602 N 4.29 0.58 -0.60 2.42 5.85 -1.97 -1.60 115.31 124.27 2qub h LEU 602 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2qub h LEU 602 Cb 1.17 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2qub h LEU 602 CO 0.41 0.33 0.00 -0.90 -0.34 0.00 0.00 178.44 177.94 2qub n ASP 603 N -4.51 0.27 -0.99 1.25 5.75 -1.26 -1.40 116.55 115.66 2qub n ASP 603 Ca 0.14 0.61 0.10 0.00 -0.01 0.00 0.00 54.79 55.62 2qub n ASP 603 Cb 0.38 -0.65 0.21 0.00 -1.03 0.00 0.00 41.12 40.03 2qub n ASP 603 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2qub n HIS 604 N -1.85 0.55 -3.64 2.11 8.25 -0.60 -4.89 115.22 115.16 2qub n HIS 604 Ca -0.00 -0.34 -0.39 0.00 -0.26 0.00 0.00 57.72 56.73 2qub n HIS 604 Cb 0.05 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 2qub n HIS 604 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qub s ILE 605 N -1.19 4.80 0.40 1.59 1.01 -0.49 -4.84 121.20 122.48 2qub s ILE 605 Ca 0.34 -0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.55 2qub s ILE 605 Cb 0.19 -3.40 -0.10 0.00 0.01 0.00 0.00 42.46 39.16 2qub s ILE 605 CO 0.26 0.12 0.88 -0.55 0.00 0.00 0.00 174.94 175.64 2qub s SER 606 N 1.66 6.84 0.38 3.58 0.15 -1.26 -4.97 113.70 120.08 2qub s SER 606 Ca 0.05 1.52 0.09 0.00 0.70 0.00 0.00 55.95 58.31 2qub s SER 606 Cb -0.17 -2.47 0.83 0.00 -1.71 0.00 0.00 66.02 62.50 2qub s SER 606 CO 0.07 -0.33 1.95 0.71 1.20 0.00 0.00 173.24 176.85 2qub h THR 607 N 1.82 0.96 0.00 6.45 1.35 -1.98 0.67 112.91 122.18 2qub h THR 607 Ca -0.48 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2qub h THR 607 Cb 1.18 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2qub h THR 607 CO 0.63 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 175.11 2qub n ASP 608 N -4.49 0.00 -0.05 5.36 5.68 -1.26 -2.43 116.55 119.36 2qub n ASP 608 Ca 0.12 -0.01 0.14 0.00 -0.50 0.00 0.00 54.79 54.53 2qub n ASP 608 Cb 0.31 -0.28 0.55 0.00 -1.14 0.00 0.00 41.12 40.55 2qub n ASP 608 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qub n GLN 609 N -1.28 0.34 -4.54 0.11 6.02 0.23 -4.87 117.38 113.40 2qub n GLN 609 Ca 0.10 -0.11 -0.22 0.00 -0.01 0.00 0.00 57.00 56.75 2qub n GLN 609 Cb 0.16 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.77 2qub n GLN 609 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qub s VAL 610 N -2.73 1.00 -0.15 5.09 1.01 -1.02 -0.53 120.40 123.07 2qub s VAL 610 Ca 0.21 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2qub s VAL 610 Cb 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2qub s VAL 610 CO 0.54 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 175.07 2qub s VAL 611 N 0.19 2.42 -0.30 2.92 1.01 -0.34 -4.99 120.40 121.31 2qub s VAL 611 Ca -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2qub s VAL 611 Cb -0.10 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.32 2qub s VAL 611 CO 0.01 0.53 0.01 -0.76 0.00 0.00 0.00 175.10 174.89 2qub s LEU 612 N 0.84 3.91 0.00 3.92 1.43 -1.26 -0.97 118.68 126.56 2qub s LEU 612 Ca -0.05 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 2qub s LEU 612 Cb -0.15 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2qub s LEU 612 CO -0.01 -0.26 0.25 0.00 0.23 0.00 0.00 176.35 176.55