#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 3.62 -0.55 0.66 0.09 -1.26 -4.82 115.29 113.03 2qub s HIS 0 Ca 0.00 1.62 0.04 0.00 -0.00 0.00 0.00 55.06 56.73 2qub s HIS 0 Cb 0.00 -3.25 0.04 0.00 -0.00 0.00 0.00 32.58 29.37 2qub s HIS 0 CO 0.00 -0.51 0.64 -1.33 -0.00 0.00 0.00 174.74 173.55 2qub n MET 1 N 2.39 -0.36 0.00 1.40 2.81 -1.26 -4.97 117.12 117.13 2qub n MET 1 Ca 0.03 -0.77 0.00 0.00 -1.81 0.00 0.00 57.70 55.15 2qub n MET 1 Cb 0.46 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 2qub n MET 1 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qub n GLY 2 N 0.25 1.87 0.26 3.03 0.00 -0.62 -4.31 105.19 105.66 2qub n GLY 2 Ca 0.03 -1.63 0.10 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 0.87 -0.67 -0.61 2.10 -1.72 -1.99 117.51 115.48 2qub h ILE 3 Ca 0.00 -0.17 -0.14 0.00 1.08 0.00 0.00 64.86 65.62 2qub h ILE 3 Cb 0.00 1.10 -0.09 0.00 -1.09 0.00 0.00 36.82 36.74 2qub h ILE 3 CO 0.00 0.05 0.18 0.49 -1.08 0.00 0.00 178.15 177.78 2qub n PHE 4 N -4.24 2.29 -1.70 2.19 3.72 -1.26 -4.05 117.46 114.41 2qub n PHE 4 Ca -0.03 -1.06 -0.41 0.00 -0.05 0.00 0.00 57.45 55.90 2qub n PHE 4 Cb 0.13 -0.62 0.01 0.00 -0.94 0.00 0.00 39.48 38.06 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 0.05 2.48 -3.87 4.37 2.88 -0.75 -4.76 113.62 114.02 2qub n SER 5 Ca 0.36 1.10 -0.23 0.00 -1.33 0.00 0.00 58.87 58.77 2qub n SER 5 Cb 1.32 -1.50 -0.17 0.00 -0.75 0.00 0.00 64.21 63.11 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 -1.21 0.94 0.00 0.66 5.04 -1.26 -5.04 117.35 116.48 2qub s TYR 6 Ca 0.62 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 2qub s TYR 6 Cb -0.50 -0.87 0.00 0.00 0.35 0.00 0.00 41.96 40.94 2qub s TYR 6 CO 0.57 -0.31 0.00 1.63 -1.34 0.00 0.00 175.55 176.10 2qub n LYS 7 N 4.57 0.00 -0.76 4.97 5.02 -1.26 -1.77 118.16 128.93 2qub n LYS 7 Ca -0.16 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.14 2qub n LYS 7 Cb 0.50 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.80 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 1.81 4.22 -4.77 4.39 5.75 -1.26 -5.00 116.55 121.70 2qub n ASP 8 Ca 0.00 -3.20 -0.35 0.00 -0.01 0.00 0.00 54.79 51.23 2qub n ASP 8 Cb 0.00 -0.65 0.02 0.00 -1.03 0.00 0.00 41.12 39.46 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 -2.95 3.67 0.87 -2.12 1.43 -0.73 -5.03 118.68 113.83 2qub s LEU 9 Ca 0.49 2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 55.69 2qub s LEU 9 Cb 0.40 -4.58 0.11 0.00 0.03 0.00 0.00 46.19 42.15 2qub s LEU 9 CO 0.10 -1.41 1.13 1.51 0.23 0.00 0.00 176.35 177.91 2qub s ASP 10 N -1.81 3.86 0.16 2.29 1.47 -1.26 -4.77 116.67 116.60 2qub s ASP 10 Ca 0.74 1.03 -0.15 0.00 1.18 0.00 0.00 52.55 55.35 2qub s ASP 10 Cb -0.26 -1.64 0.04 0.00 -0.34 0.00 0.00 42.92 40.73 2qub s ASP 10 CO 0.31 -2.34 1.79 -0.08 0.68 0.00 0.00 175.17 175.53 2qub h GLU 11 N -1.35 0.67 -0.75 2.11 4.81 -1.96 -1.92 114.58 116.19 2qub h GLU 11 Ca -0.49 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 2qub h GLU 11 Cb 1.32 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2qub h GLU 11 CO 0.62 0.50 0.41 -0.91 -0.73 0.00 0.00 179.01 178.89 2qub h ASN 12 N 0.65 0.93 -0.48 1.04 2.35 -1.94 -1.93 115.58 116.20 2qub h ASN 12 Ca 0.17 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 2qub h ASN 12 Cb 0.01 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2qub h ASN 12 CO -0.03 0.75 -0.08 0.00 -1.65 0.00 0.00 177.43 176.42 2qub h ALA 13 N 1.40 0.66 -0.03 -0.83 0.00 -1.83 -2.03 119.26 116.59 2qub h ALA 13 Ca 0.26 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2qub h ALA 13 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2qub h ALA 13 CO -0.04 0.53 -0.52 0.66 0.00 0.00 0.00 179.25 179.89 2qub h SER 14 N 0.75 0.09 -0.41 0.00 4.64 -1.15 -0.78 113.55 116.70 2qub h SER 14 Ca 0.13 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 2qub h SER 14 Cb 0.62 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 2qub h SER 14 CO 0.04 0.59 0.03 0.11 -0.87 0.00 0.00 176.83 176.73 2qub h LYS 15 N 0.07 0.70 -0.61 4.77 1.57 -1.25 -0.87 116.57 120.94 2qub h LYS 15 Ca -0.00 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 2qub h LYS 15 Cb 0.94 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2qub h LYS 15 CO 0.07 0.76 0.03 0.00 -0.57 0.00 0.00 179.45 179.75 2qub h ALA 16 N 0.91 0.91 -0.33 3.86 0.00 -1.17 -1.66 119.26 121.77 2qub h ALA 16 Ca 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qub h ALA 16 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qub h ALA 16 CO 0.01 0.66 0.20 1.25 0.00 0.00 0.00 179.25 181.37 2qub h LEU 17 N 0.96 0.40 -0.49 0.00 5.85 -1.04 -2.15 115.31 118.84 2qub h LEU 17 Ca 0.18 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2qub h LEU 17 Cb 0.51 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2qub h LEU 17 CO 0.02 0.33 0.30 0.15 -0.34 0.00 0.00 178.44 178.91 2qub h PHE 18 N 0.43 0.57 -0.22 1.25 3.57 -0.95 -0.17 116.94 121.41 2qub h PHE 18 Ca 0.12 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2qub h PHE 18 Cb 0.01 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 2qub h PHE 18 CO -0.04 0.34 0.04 1.03 -2.23 0.00 0.00 178.31 177.45 2qub h SER 19 N 0.61 0.02 -0.24 0.41 0.87 -1.18 -0.84 113.55 113.19 2qub h SER 19 Ca 0.19 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2qub h SER 19 Cb -0.02 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2qub h SER 19 CO -0.07 0.04 0.11 0.44 -0.53 0.00 0.00 176.83 176.82 2qub h ASP 20 N 0.13 0.15 -0.29 6.23 3.32 -1.08 -1.99 116.42 122.90 2qub h ASP 20 Ca 0.10 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.19 2qub h ASP 20 Cb 0.09 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2qub h ASP 20 CO -0.13 0.12 0.10 0.00 -1.72 0.00 0.00 179.24 177.61 2qub h ALA 21 N 1.13 0.32 -0.43 3.45 0.00 -0.66 -1.71 119.26 121.37 2qub h ALA 21 Ca 0.10 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2qub h ALA 21 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qub h ALA 21 CO -0.08 -0.31 -0.12 1.25 0.00 0.00 0.00 179.25 180.00 2qub h LEU 22 N 0.23 0.76 -0.17 0.00 5.85 -1.08 0.31 115.31 121.20 2qub h LEU 22 Ca 0.13 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2qub h LEU 22 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2qub h LEU 22 CO -0.13 0.90 0.08 0.00 -0.34 0.00 0.00 178.44 178.95 2qub h ALA 23 N 1.17 0.22 -0.02 1.25 0.00 -1.06 -1.25 119.26 119.57 2qub h ALA 23 Ca 0.12 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2qub h ALA 23 Cb 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2qub h ALA 23 CO 0.04 -0.22 -0.79 -0.84 0.00 0.00 0.00 179.25 177.44 2qub h ILE 24 N 0.15 1.47 -0.26 0.00 3.07 -1.04 -1.59 117.51 119.31 2qub h ILE 24 Ca 0.06 -2.44 -0.01 0.00 1.55 0.00 0.00 64.86 64.02 2qub h ILE 24 Cb 0.11 2.33 -0.01 0.00 -0.27 0.00 0.00 36.82 38.98 2qub h ILE 24 CO -0.01 0.71 0.14 -1.28 -1.05 0.00 0.00 178.15 176.66 2qub h SER 25 N 0.12 0.33 -0.45 2.16 0.87 -0.88 -2.80 113.55 112.89 2qub h SER 25 Ca -0.03 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2qub h SER 25 Cb 1.38 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 2qub h SER 25 CO 0.12 0.33 0.25 0.74 -0.53 0.00 0.00 176.83 177.75 2qub h THR 26 N 0.30 1.15 -0.83 2.23 2.02 -1.15 -2.91 112.91 113.72 2qub h THR 26 Ca 0.09 -0.38 0.14 0.00 0.77 0.00 0.00 66.41 67.03 2qub h THR 26 Cb 0.08 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 2qub h THR 26 CO -0.01 0.16 0.54 0.22 0.37 0.00 0.00 175.52 176.80 2qub h TYR 27 N 0.59 0.67 -0.11 3.16 3.20 -1.09 -2.12 116.97 121.28 2qub h TYR 27 Ca 0.16 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.08 2qub h TYR 27 Cb 0.03 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2qub h TYR 27 CO -0.02 0.25 0.19 0.00 -1.64 0.00 0.00 178.16 176.94 2qub h ALA 28 N 1.62 1.53 0.00 1.82 0.00 -1.29 0.10 119.26 123.04 2qub h ALA 28 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2qub h ALA 28 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qub h ALA 28 CO -0.17 -0.25 -0.35 0.66 0.00 0.00 0.00 179.25 179.15 2qub n TYR 29 N -3.44 0.05 -4.06 0.00 4.01 -0.80 -4.78 117.16 108.13 2qub n TYR 29 Ca -0.00 0.01 -0.31 0.00 -0.16 0.00 0.00 57.90 57.44 2qub n TYR 29 Cb 0.29 -0.36 -0.01 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.55 -1.85 -2.35 -0.72 8.25 0.02 -1.72 115.22 115.31 2qub n HIS 30 Ca 0.06 0.81 -0.21 0.00 -0.26 0.00 0.00 57.72 58.12 2qub n HIS 30 Cb 0.34 -3.45 -0.01 0.00 1.12 0.00 0.00 29.99 27.99 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 -2.80 -5.87 0.17 0.41 3.02 -1.26 -4.52 115.26 104.40 2qub n ASN 31 Ca -0.05 0.01 0.10 0.00 -0.03 0.00 0.00 54.58 54.61 2qub n ASN 31 Cb 0.56 -4.90 0.61 0.00 -0.61 0.00 0.00 39.78 35.44 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 0.97 -0.56 2.41 6.09 -1.68 -2.07 117.51 122.67 2qub h ILE 32 Ca -0.49 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 2qub h ILE 32 Cb 1.36 0.86 0.00 0.00 0.47 0.00 0.00 36.82 39.51 2qub h ILE 32 CO 0.59 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.78 2qub n ASP 33 N -4.50 4.81 -0.13 2.19 5.75 -1.26 -4.18 116.55 119.23 2qub n ASP 33 Ca 0.00 -2.61 -0.05 0.00 -0.01 0.00 0.00 54.79 52.12 2qub n ASP 33 Cb 0.18 -0.61 0.03 0.00 -1.03 0.00 0.00 41.12 39.69 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 3.68 0.16 -0.16 -1.12 -0.00 -1.50 -0.52 115.58 116.12 2qub h ASN 34 Ca 0.00 0.05 -0.09 0.00 -0.00 0.00 0.00 56.30 56.25 2qub h ASN 34 Cb 1.58 0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 39.91 2qub h ASN 34 CO 0.33 0.13 -0.20 1.23 -0.00 0.00 0.00 177.43 178.91 2qub h GLY 35 N 0.32 0.63 0.97 1.57 0.00 -1.48 -2.20 103.07 102.88 2qub h GLY 35 Ca 0.19 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2qub h GLY 35 CO -0.19 0.46 0.08 -2.75 0.00 0.00 0.00 176.54 174.14 2qub h PHE 36 N 0.52 0.82 -0.03 5.60 3.57 -1.63 -0.10 116.94 125.69 2qub h PHE 36 Ca 0.08 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2qub h PHE 36 Cb 0.64 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2qub h PHE 36 CO 0.02 0.76 -0.27 0.22 -2.23 0.00 0.00 178.31 176.81 2qub h ASP 37 N 0.64 -0.82 -0.17 0.41 1.82 -0.90 0.25 116.42 117.66 2qub h ASP 37 Ca 0.14 0.11 0.01 0.00 -0.39 0.00 0.00 57.03 56.90 2qub h ASP 37 Cb 0.38 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 2qub h ASP 37 CO 0.01 -0.33 0.09 -0.08 -1.61 0.00 0.00 179.24 177.32 2qub h GLU 38 N -0.40 0.19 0.13 0.28 4.81 -1.26 -2.37 114.58 115.96 2qub h GLU 38 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2qub h GLU 38 Cb 0.50 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2qub h GLU 38 CO -0.26 0.13 -0.06 0.78 -0.73 0.00 0.00 179.01 178.86 2qub h GLY 39 N 0.19 -0.19 0.45 1.92 0.00 -0.76 -0.93 103.07 103.76 2qub h GLY 39 Ca 0.07 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.53 2qub h GLY 39 CO -0.03 -0.07 0.05 -1.82 0.00 0.00 0.00 176.54 174.66 2qub h TYR 40 N -0.18 0.07 -0.17 5.60 3.20 -0.50 0.11 116.97 125.10 2qub h TYR 40 Ca -0.02 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2qub h TYR 40 Cb 0.14 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2qub h TYR 40 CO -0.07 -0.03 -0.38 0.45 -1.64 0.00 0.00 178.16 176.50 2qub h HIS 41 N 0.16 0.43 0.09 -3.82 3.86 -1.18 -0.16 115.15 114.53 2qub h HIS 41 Ca 0.19 -0.11 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 2qub h HIS 41 Cb 0.25 -0.10 0.02 0.00 1.06 0.00 0.00 27.41 28.64 2qub h HIS 41 CO -0.23 0.70 -0.59 0.37 0.86 0.00 0.00 177.93 179.04 2qub h GLN 42 N 0.31 0.25 -0.00 2.45 4.15 -0.63 -0.30 115.11 121.34 2qub h GLN 42 Ca 0.03 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2qub h GLN 42 Cb 0.81 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.64 2qub h GLN 42 CO 0.06 1.16 -0.09 0.25 -1.93 0.00 0.00 178.83 178.28 2qub n THR 43 N -4.26 0.00 -4.01 2.39 -2.24 0.33 -4.67 114.28 101.82 2qub n THR 43 Ca -0.12 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2qub n THR 43 Cb 0.72 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 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 0.92 -0.81 0.33 3.38 0.00 -0.07 -3.88 105.19 105.06 2qub n GLY 44 Ca 0.01 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.29 117.46 120.87 2qub n PHE 45 Ca 0.00 -0.23 0.00 0.00 -0.76 0.00 0.00 57.45 56.46 2qub n PHE 45 Cb 0.00 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 39.76 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 -0.32 1.58 0.32 7.13 0.00 -1.26 -4.72 105.19 107.92 2qub n GLY 46 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 -0.89 0.99 3.38 -1.96 -1.35 115.31 115.49 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 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qub h LEU 47 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2qub n GLY 48 N -1.26 -0.02 0.37 0.83 0.00 -1.25 -4.43 105.19 99.42 2qub n GLY 48 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 2.00 1.05 -1.09 0.99 5.85 -1.42 -1.09 115.31 121.59 2qub h LEU 49 Ca 0.00 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.82 2qub h LEU 49 Cb 0.43 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 2qub h LEU 49 CO 0.00 0.71 0.61 -0.65 -0.34 0.00 0.00 178.44 178.77 2qub h PRO 50 N 1.21 0.94 -0.39 5.25 0.11 -1.82 -0.40 132.00 136.91 2qub h PRO 50 Ca 0.40 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 2qub h PRO 50 Cb 0.04 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 2qub h PRO 50 CO -0.14 0.62 -0.36 -0.07 -0.21 0.00 0.00 178.00 177.85 2qub h LEU 51 N 0.97 0.97 -0.82 2.35 3.38 -1.55 -2.40 115.31 118.21 2qub h LEU 51 Ca 0.46 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2qub h LEU 51 Cb 0.43 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2qub h LEU 51 CO -0.22 1.22 0.52 0.74 0.09 0.00 0.00 178.44 180.79 2qub h THR 52 N 0.76 1.08 -0.46 0.22 2.02 -0.69 -1.83 112.91 114.01 2qub h THR 52 Ca 0.07 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.80 2qub h THR 52 Cb 0.94 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2qub h THR 52 CO 0.09 0.18 -0.17 -0.07 0.37 0.00 0.00 175.52 175.92 2qub h LEU 53 N 0.97 0.90 -0.30 2.58 3.38 -0.87 -0.63 115.31 121.34 2qub h LEU 53 Ca 0.35 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qub h LEU 53 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2qub h LEU 53 CO -0.14 1.06 0.18 0.40 0.09 0.00 0.00 178.44 180.03 2qub h ILE 54 N 0.79 1.11 -0.31 1.22 1.08 -1.11 -2.41 117.51 117.87 2qub h ILE 54 Ca 0.12 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 64.26 2qub h ILE 54 Cb 0.71 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 2qub h ILE 54 CO 0.05 0.11 -0.08 0.74 -0.69 0.00 0.00 178.15 178.28 2qub h THR 55 N 0.39 1.22 -0.52 -0.27 2.02 -1.15 -1.41 112.91 113.18 2qub h THR 55 Ca 0.11 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.38 2qub h THR 55 Cb 0.02 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2qub h THR 55 CO -0.02 0.31 0.34 0.00 0.37 0.00 0.00 175.52 176.52 2qub h ALA 56 N 1.44 1.71 0.13 6.16 0.00 -0.71 0.89 119.26 128.88 2qub h ALA 56 Ca 0.09 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 2qub h ALA 56 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qub h ALA 56 CO 0.02 0.24 -1.36 -0.07 0.00 0.00 0.00 179.25 178.08 2qub h LEU 57 N 0.63 0.43 -1.96 0.00 3.38 -0.90 -1.03 115.31 115.86 2qub h LEU 57 Ca 0.20 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2qub h LEU 57 Cb 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2qub h LEU 57 CO -0.05 1.61 0.00 2.30 0.09 0.00 0.00 178.44 182.39 2qub n ILE 58 N -3.92 0.51 -4.14 1.22 -5.35 -0.60 -1.64 119.36 105.45 2qub n ILE 58 Ca -0.23 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 2qub n ILE 58 Cb 0.91 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 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 -0.26 1.41 0.00 3.28 0.00 0.30 -4.39 105.19 105.54 2qub n GLY 59 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.31 0.00 0.09 1.61 3.41 -0.11 -4.71 113.62 111.60 2qub n SER 60 Ca 0.00 -0.33 0.12 0.00 -0.26 0.00 0.00 58.87 58.40 2qub n SER 60 Cb 0.00 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.72 0.50 6.66 -2.24 -1.26 -3.70 114.28 114.96 2qub n THR 61 Ca 0.00 0.08 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 2qub n THR 61 Cb 0.00 -0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.08 3.23 -3.69 -0.78 6.02 -1.26 -4.27 117.38 114.55 2qub n GLN 62 Ca 0.04 -0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 56.79 2qub n GLN 62 Cb 0.28 -1.02 -0.06 0.00 1.02 0.00 0.00 30.24 30.46 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 -1.89 -0.19 -0.17 1.08 1.04 -1.24 -4.86 113.70 107.46 2qub s SER 63 Ca 0.05 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 2qub s SER 63 Cb 0.08 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2qub s SER 63 CO 0.40 -0.75 -0.09 -1.58 0.98 0.00 0.00 173.24 172.21 2qub s GLN 64 N -3.23 3.39 0.00 4.02 0.74 -1.26 -0.93 119.66 122.38 2qub s GLN 64 Ca -0.00 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 54.75 2qub s GLN 64 Cb 0.01 -2.82 0.00 0.00 1.10 0.00 0.00 33.01 31.30 2qub s GLN 64 CO -0.08 0.01 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 2qub n GLY 65 N 4.14 -0.04 0.23 2.59 0.00 -1.26 -1.44 105.19 109.40 2qub n GLY 65 Ca -0.18 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.13 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 0.06 -4.55 -0.02 0.00 -0.64 -3.44 103.07 94.48 2qub h GLY 66 Ca 0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 47.33 46.75 2qub h GLY 66 CO 0.00 0.03 0.47 -2.27 0.00 0.00 0.00 176.54 174.78 2qub s LEU 67 N -8.71 4.32 0.63 3.11 2.96 -0.65 -4.77 118.68 115.56 2qub s LEU 67 Ca -0.04 1.63 -0.08 0.00 -0.22 0.00 0.00 54.13 55.42 2qub s LEU 67 Cb 0.16 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.29 2qub s LEU 67 CO 0.70 -0.36 0.96 -2.16 -1.32 0.00 0.00 176.35 174.17 2qub s PRO 68 N 1.47 2.90 0.00 0.98 0.04 -1.26 -4.62 135.00 134.51 2qub s PRO 68 Ca 0.51 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2qub s PRO 68 Cb -0.20 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2qub s PRO 68 CO 0.24 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2qub n GLY 69 N -2.71 0.68 3.59 0.56 0.00 -1.26 -5.04 105.19 101.01 2qub n GLY 69 Ca 0.05 0.00 -0.41 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 4.18 0.50 0.99 1.43 -1.26 -4.95 118.68 119.56 2qub s LEU 70 Ca 0.00 0.33 0.33 0.00 -1.03 0.00 0.00 54.13 53.76 2qub s LEU 70 Cb 0.00 -2.83 1.60 0.00 0.03 0.00 0.00 46.19 44.99 2qub s LEU 70 CO 0.00 -0.55 2.00 1.55 0.23 0.00 0.00 176.35 179.59 2qub h PRO 71 N 8.30 0.00 -0.00 1.29 0.13 -2.01 -2.06 132.00 137.66 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 0.83 0.00 -0.41 -2.67 -0.23 0.00 0.00 178.00 175.51 2qub n TRP 72 N -2.79 0.00 -2.43 1.56 2.14 -1.26 -4.86 117.44 109.79 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 0.17 -0.15 -0.02 0.00 -0.81 0.00 0.00 31.31 30.50 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 -2.72 6.16 0.71 -0.67 0.02 -0.78 -4.06 114.94 113.60 2qub s ASN 73 Ca 0.18 1.97 -0.11 0.00 -1.02 0.00 0.00 52.86 53.87 2qub s ASN 73 Cb 0.18 -2.56 0.02 0.00 0.02 0.00 0.00 41.25 38.91 2qub s ASN 73 CO 0.61 -0.91 1.08 -2.16 0.02 0.00 0.00 177.10 175.74 2qub s PRO 74 N -3.33 2.84 -1.04 -0.60 0.04 -1.26 -4.97 135.00 126.67 2qub s PRO 74 Ca 0.68 0.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.14 2qub s PRO 74 Cb -0.18 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.41 2qub s PRO 74 CO 0.23 -1.09 1.50 0.34 0.04 0.00 0.00 177.00 178.02 2qub s ASP 75 N -4.12 6.47 0.49 6.66 -1.08 -1.26 -4.52 116.67 119.32 2qub s ASP 75 Ca 0.58 -1.51 0.28 0.00 -0.52 0.00 0.00 52.55 51.38 2qub s ASP 75 Cb -0.12 -2.57 0.98 0.00 -1.46 0.00 0.00 42.92 39.75 2qub s ASP 75 CO 0.53 -1.53 1.84 0.77 0.52 0.00 0.00 175.17 177.30 2qub h SER 76 N 9.65 0.00 -0.15 -0.34 4.64 -1.94 -2.83 113.55 122.58 2qub h SER 76 Ca 0.22 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.39 2qub h SER 76 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2qub h SER 76 CO 1.42 0.08 -0.41 -0.33 -0.87 0.00 0.00 176.83 176.73 2qub h GLU 77 N 0.00 0.69 -0.54 4.77 5.08 -1.88 -1.31 114.58 121.39 2qub h GLU 77 Ca -0.00 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 2qub h GLU 77 Cb 0.71 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2qub h GLU 77 CO 0.01 0.97 0.07 0.37 -1.00 0.00 0.00 179.01 179.44 2qub h GLN 78 N 0.56 0.91 -0.82 2.33 -0.00 -1.90 -1.81 115.11 114.38 2qub h GLN 78 Ca 0.04 -0.25 0.07 0.00 -0.00 0.00 0.00 58.65 58.51 2qub h GLN 78 Cb 0.95 -0.10 -0.06 0.00 0.00 0.00 0.00 27.48 28.26 2qub h GLN 78 CO 0.09 0.89 0.49 0.00 0.00 0.00 0.00 178.83 180.30 2qub h ALA 79 N 0.98 1.14 -0.58 3.38 0.00 -1.31 -0.80 119.26 122.07 2qub h ALA 79 Ca 0.16 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2qub h ALA 79 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2qub h ALA 79 CO 0.01 0.19 -0.02 0.00 0.00 0.00 0.00 179.25 179.43 2qub h ALA 80 N 1.41 0.85 -0.43 0.00 0.00 -0.90 -1.96 119.26 118.23 2qub h ALA 80 Ca 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qub h ALA 80 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qub h ALA 80 CO -0.20 0.66 0.17 0.37 0.00 0.00 0.00 179.25 180.25 2qub h GLN 81 N 0.94 0.64 -0.51 0.00 4.15 -0.89 -2.50 115.11 116.94 2qub h GLN 81 Ca 0.16 -0.12 0.05 0.00 0.77 0.00 0.00 58.65 59.52 2qub h GLN 81 Cb 0.57 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 2qub h GLN 81 CO 0.03 0.60 0.23 0.93 -1.93 0.00 0.00 178.83 178.69 2qub h GLU 82 N 0.55 0.44 -0.43 1.69 5.08 -0.95 -0.53 114.58 120.42 2qub h GLU 82 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2qub h GLU 82 Cb 0.20 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2qub h GLU 82 CO -0.01 0.29 0.27 0.00 -1.00 0.00 0.00 179.01 178.56 2qub h ALA 83 N 1.30 0.54 -0.20 3.43 0.00 -1.23 0.12 119.26 123.22 2qub h ALA 83 Ca 0.23 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2qub h ALA 83 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qub h ALA 83 CO -0.19 0.01 -0.59 -0.24 0.00 0.00 0.00 179.25 178.24 2qub h VAL 84 N 0.57 1.31 -0.82 0.00 3.04 -1.22 -2.19 116.25 116.93 2qub h VAL 84 Ca 0.15 -1.84 -0.03 0.00 -1.01 0.00 0.00 66.70 63.98 2qub h VAL 84 Cb -0.04 1.79 -0.04 0.00 -2.01 0.00 0.00 31.29 30.99 2qub h VAL 84 CO -0.03 0.58 0.40 0.78 -1.01 0.00 0.00 177.57 178.28 2qub h ASN 85 N 0.50 1.07 -0.13 3.17 -0.26 -0.91 -1.97 115.58 117.05 2qub h ASN 85 Ca -0.00 -0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 55.58 2qub h ASN 85 Cb 1.17 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 38.14 2qub h ASN 85 CO 0.12 0.90 0.02 0.78 -1.06 0.00 0.00 177.43 178.19 2qub h ASN 86 N 1.16 0.28 0.19 5.81 2.35 -0.58 -0.88 115.58 123.91 2qub h ASN 86 Ca 0.28 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2qub h ASN 86 Cb 0.11 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2qub h ASN 86 CO -0.04 0.32 0.00 0.00 -1.65 0.00 0.00 177.43 176.07 2qub n ALA 87 N -2.49 2.40 0.00 -0.83 0.00 -0.84 -4.87 120.51 113.87 2qub n ALA 87 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2qub n ALA 87 Cb 0.18 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.74 0.91 3.35 0.00 0.00 -0.34 -4.97 105.19 104.89 2qub n GLY 88 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 2.63 0.00 1.61 0.52 -0.78 -4.29 118.94 116.64 2qub s TRP 89 Ca 0.00 -0.58 0.03 0.00 0.02 0.00 0.00 56.10 55.57 2qub s TRP 89 Cb 0.00 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.62 2qub s TRP 89 CO 0.00 -0.13 -0.09 -1.54 0.02 0.00 0.00 176.95 175.21 2qub s SER 90 N -0.12 1.10 0.35 2.95 1.04 -0.77 -3.06 113.70 115.19 2qub s SER 90 Ca -0.03 -0.23 -0.28 0.00 0.48 0.00 0.00 55.95 55.88 2qub s SER 90 Cb -0.14 -0.10 -0.12 0.00 0.10 0.00 0.00 66.02 65.76 2qub s SER 90 CO 0.04 0.07 1.45 0.52 0.98 0.00 0.00 173.24 176.30 2qub n VAL 91 N 2.61 1.79 -3.77 5.02 0.31 -1.26 -0.84 118.33 122.19 2qub n VAL 91 Ca -0.15 -0.45 -0.35 0.00 -0.01 0.00 0.00 64.34 63.38 2qub n VAL 91 Cb 0.56 -1.84 -0.09 0.00 -0.91 0.00 0.00 33.84 31.56 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 -0.88 5.23 0.57 2.52 1.01 -0.01 -4.82 121.20 124.82 2qub s ILE 92 Ca 0.56 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 61.19 2qub s ILE 92 Cb -0.51 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 2qub s ILE 92 CO 0.60 0.41 1.02 -0.94 0.00 0.00 0.00 174.94 176.04 2qub s SER 93 N 0.60 6.15 0.34 3.58 1.04 -1.26 -4.80 113.70 119.34 2qub s SER 93 Ca 0.07 1.66 0.07 0.00 0.48 0.00 0.00 55.95 58.22 2qub s SER 93 Cb -0.12 -2.51 0.74 0.00 0.10 0.00 0.00 66.02 64.23 2qub s SER 93 CO 0.00 -0.92 1.88 0.00 0.98 0.00 0.00 173.24 175.19 2qub h ALA 94 N 0.47 1.74 -0.42 5.32 0.00 -1.91 -2.07 119.26 122.39 2qub h ALA 94 Ca -0.46 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qub h ALA 94 Cb 1.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2qub h ALA 94 CO 0.59 0.04 0.26 1.15 0.00 0.00 0.00 179.25 181.30 2qub h THR 95 N 0.77 1.13 -0.63 0.00 2.02 -1.92 0.29 112.91 114.57 2qub h THR 95 Ca 0.43 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 2qub h THR 95 Cb 0.58 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2qub h THR 95 CO -0.19 0.13 0.36 1.56 0.37 0.00 0.00 175.52 177.74 2qub h GLN 96 N 0.56 0.86 0.00 6.66 4.20 -1.77 -2.43 115.11 123.19 2qub h GLN 96 Ca 0.15 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2qub h GLN 96 Cb -0.02 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2qub h GLN 96 CO -0.03 0.62 -0.29 1.28 -0.67 0.00 0.00 178.83 179.74 2qub n LEU 97 N -4.39 0.77 -2.48 1.46 4.77 -0.93 -4.94 117.00 111.27 2qub n LEU 97 Ca 0.06 0.42 -0.18 0.00 -0.03 0.00 0.00 56.01 56.28 2qub n LEU 97 Cb 0.09 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2qub n LEU 97 CO 0.37 -0.13 0.01 0.61 -1.33 0.00 0.00 177.39 176.92 2qub n GLY 98 N 1.32 -0.28 3.70 -0.72 0.00 0.84 -4.83 105.19 105.23 2qub n GLY 98 Ca 0.04 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.06 3.50 -2.56 1.61 5.04 -0.10 -4.98 117.35 116.81 2qub s TYR 99 Ca 0.25 1.09 0.26 0.00 -2.44 0.00 0.00 57.07 56.23 2qub s TYR 99 Cb -0.11 -2.76 0.66 0.00 0.35 0.00 0.00 41.96 40.10 2qub s TYR 99 CO 0.31 0.02 1.52 0.00 -1.34 0.00 0.00 175.55 176.07 2qub n ALA 100 N 4.14 2.65 -1.25 3.97 0.00 -1.26 -4.75 120.51 124.02 2qub n ALA 100 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2qub n ALA 100 Cb 0.51 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.27 -0.49 3.73 0.00 0.00 -1.26 -5.04 105.19 103.40 2qub n GLY 101 Ca 0.16 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.33 4.40 0.18 1.61 2.20 -1.26 -5.04 119.74 120.50 2qub s LYS 102 Ca 0.00 0.81 0.04 0.00 -0.36 0.00 0.00 55.97 56.46 2qub s LYS 102 Cb 0.00 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2qub s LYS 102 CO 0.00 0.19 -0.06 0.95 -0.36 0.00 0.00 175.35 176.07 2qub s THR 103 N 0.37 1.14 0.47 3.43 -4.23 -1.26 -1.86 115.64 113.71 2qub s THR 103 Ca 0.34 -2.06 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 2qub s THR 103 Cb -0.18 -2.06 0.05 0.00 1.34 0.00 0.00 72.50 71.66 2qub s THR 103 CO 0.18 -0.57 0.43 -0.90 -0.54 0.00 0.00 174.62 173.22 2qub n ASP 104 N -0.29 2.31 0.10 3.99 5.68 -0.73 -4.95 116.55 122.66 2qub n ASP 104 Ca -0.08 -2.53 0.09 0.00 -0.50 0.00 0.00 54.79 51.77 2qub n ASP 104 Cb 0.62 -0.12 0.42 0.00 -1.14 0.00 0.00 41.12 40.91 2qub n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qub n ALA 105 N -2.13 1.42 1.08 2.12 0.00 -1.26 -0.92 120.51 120.82 2qub n ALA 105 Ca -0.14 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2qub n ALA 105 Cb 0.53 -1.29 0.17 0.00 0.00 0.00 0.00 19.45 18.85 2qub n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qub n ARG 106 N -2.02 2.19 -0.50 0.00 1.74 -1.26 -4.95 116.66 111.86 2qub n ARG 106 Ca 0.01 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 2qub n ARG 106 Cb 0.14 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.32 0.75 3.76 -0.13 0.00 -0.10 -5.05 105.19 105.74 2qub n GLY 107 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.40 3.43 0.03 2.61 2.01 -1.26 -4.76 115.64 115.29 2qub s THR 108 Ca 0.00 1.44 -0.12 0.00 0.31 0.00 0.00 61.69 63.31 2qub s THR 108 Cb 0.00 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 2qub s THR 108 CO 0.00 0.34 0.39 -0.31 -0.69 0.00 0.00 174.62 174.36 2qub s TYR 109 N -1.13 3.66 0.07 4.92 2.02 -0.09 -1.77 117.35 125.03 2qub s TYR 109 Ca 0.45 0.89 0.06 0.00 -0.37 0.00 0.00 57.07 58.10 2qub s TYR 109 Cb -0.33 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 2qub s TYR 109 CO 0.42 0.60 -0.10 0.71 -1.57 0.00 0.00 175.55 175.61 2qub s TYR 110 N -1.21 2.76 0.44 2.71 2.02 -0.78 -1.24 117.35 122.06 2qub s TYR 110 Ca 0.27 -0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.60 2qub s TYR 110 Cb -0.15 -1.48 -0.11 0.00 -0.40 0.00 0.00 41.96 39.82 2qub s TYR 110 CO 0.15 0.39 0.88 0.41 -1.57 0.00 0.00 175.55 175.81 2qub n GLY 111 N 1.01 -0.56 0.09 0.71 0.00 -0.67 -4.65 105.19 101.12 2qub n GLY 111 Ca -0.14 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 0.16 0.66 -3.94 1.61 1.02 0.34 -4.39 120.64 116.10 2qub n GLU 112 Ca 0.10 0.16 -0.35 0.00 -0.02 0.00 0.00 57.16 57.06 2qub n GLU 112 Cb 0.40 -1.67 -0.06 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 -2.55 5.33 0.21 2.62 2.01 -1.19 -4.97 115.64 117.10 2qub s THR 113 Ca -0.07 -0.07 -0.32 0.00 0.31 0.00 0.00 61.69 61.54 2qub s THR 113 Cb 0.07 -3.41 -0.14 0.00 0.01 0.00 0.00 72.50 69.03 2qub s THR 113 CO 0.82 0.44 1.37 0.00 -0.69 0.00 0.00 174.62 176.57 2qub n ALA 114 N 1.38 0.69 -0.03 7.40 0.00 -1.26 -0.26 120.51 128.43 2qub n ALA 114 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2qub n ALA 114 Cb 0.53 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 2.27 0.85 0.08 0.00 0.00 -1.26 -4.85 105.19 102.28 2qub n GLY 115 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 1.49 1.61 4.01 0.63 -4.84 117.16 118.06 2qub n TYR 116 Ca 0.00 -0.35 0.13 0.00 -0.16 0.00 0.00 57.90 57.52 2qub n TYR 116 Cb 0.00 -0.05 0.73 0.00 -0.31 0.00 0.00 39.34 39.72 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 -0.42 0.07 0.55 -0.72 -2.24 -1.19 -1.97 114.28 108.37 2qub n THR 117 Ca 0.02 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 2qub n THR 117 Cb 0.45 -0.60 0.15 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.11 0.28 -2.12 4.28 -2.24 -1.26 -4.24 114.28 107.86 2qub n THR 118 Ca 0.17 -0.64 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 2qub n THR 118 Cb 0.14 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.58 2.97 0.00 6.98 0.00 -0.83 -4.83 121.76 124.48 2qub s ALA 119 Ca 0.31 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.37 2qub s ALA 119 Cb 0.20 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 2qub s ALA 119 CO 0.28 -0.84 -0.12 -0.65 0.00 0.00 0.00 175.76 174.42 2qub s GLN 120 N -2.68 0.95 0.03 0.00 1.11 -1.26 -1.66 119.66 116.14 2qub s GLN 120 Ca 0.64 -0.51 0.01 0.00 0.01 0.00 0.00 55.36 55.51 2qub s GLN 120 Cb -0.32 -0.92 -0.02 0.00 -1.01 0.00 0.00 33.01 30.73 2qub s GLN 120 CO 0.39 0.25 -0.05 0.00 0.01 0.00 0.00 175.29 175.89 2qub s ALA 121 N -0.44 0.35 -0.05 6.09 0.00 -0.37 -1.19 121.76 126.15 2qub s ALA 121 Ca 0.04 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2qub s ALA 121 Cb -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2qub s ALA 121 CO -0.00 -0.11 -0.18 -1.21 0.00 0.00 0.00 175.76 174.25 2qub s GLU 122 N -1.68 2.45 -0.17 0.00 0.41 0.23 -0.91 118.70 119.03 2qub s GLU 122 Ca -0.12 -0.77 0.01 0.00 -0.41 0.00 0.00 54.97 53.68 2qub s GLU 122 Cb -0.09 -2.28 0.01 0.00 -1.78 0.00 0.00 34.13 29.99 2qub s GLU 122 CO -0.01 0.56 -0.18 0.08 -0.49 0.00 0.00 175.26 175.22 2qub s VAL 123 N -0.59 2.28 0.18 2.63 1.01 -1.26 -1.24 120.40 123.40 2qub s VAL 123 Ca 0.09 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2qub s VAL 123 Cb -0.11 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2qub s VAL 123 CO 0.01 0.53 -0.13 -0.76 0.00 0.00 0.00 175.10 174.74 2qub s LEU 124 N 1.11 2.54 0.09 3.92 1.02 0.36 -0.83 118.68 126.88 2qub s LEU 124 Ca 0.00 -1.00 0.07 0.00 0.02 0.00 0.00 54.13 53.22 2qub s LEU 124 Cb -0.14 -0.56 -0.03 0.00 0.02 0.00 0.00 46.19 45.48 2qub s LEU 124 CO -0.07 -0.22 -0.18 -0.83 0.02 0.00 0.00 176.35 175.07 2qub s GLY 125 N -3.20 1.10 -0.08 -3.19 0.00 -0.02 -0.35 107.32 101.59 2qub s GLY 125 Ca 0.20 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.78 2qub s GLY 125 CO 0.04 -1.18 -0.15 1.25 0.00 0.00 0.00 173.10 173.06 2qub s LYS 126 N -1.90 2.83 0.07 2.90 2.20 -0.37 -1.84 119.74 123.63 2qub s LYS 126 Ca 0.04 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 2qub s LYS 126 Cb -0.10 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2qub s LYS 126 CO 0.04 0.44 -0.22 0.71 -0.36 0.00 0.00 175.35 175.96 2qub s TYR 127 N -0.26 1.93 0.99 4.03 2.02 -1.26 -0.59 117.35 124.21 2qub s TYR 127 Ca 0.01 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 2qub s TYR 127 Cb -0.13 -1.11 0.21 0.00 -0.40 0.00 0.00 41.96 40.52 2qub s TYR 127 CO 0.03 0.16 1.28 0.16 -1.57 0.00 0.00 175.55 175.61 2qub s ASP 128 N -1.49 2.82 0.00 2.29 1.47 -0.08 -4.88 116.67 116.80 2qub s ASP 128 Ca 0.08 0.36 0.10 0.00 1.18 0.00 0.00 52.55 54.27 2qub s ASP 128 Cb -0.09 -0.45 0.48 0.00 -0.34 0.00 0.00 42.92 42.52 2qub s ASP 128 CO 0.03 -2.93 1.18 -1.54 0.68 0.00 0.00 175.17 172.59 2qub n SER 129 N -3.91 0.00 -0.46 2.11 3.41 -1.26 -1.44 113.62 112.07 2qub n SER 129 Ca 0.14 0.13 0.05 0.00 -0.26 0.00 0.00 58.87 58.93 2qub n SER 129 Cb 0.59 -0.27 0.07 0.00 -0.26 0.00 0.00 64.21 64.35 2qub n SER 129 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qub n GLU 130 N -1.27 1.21 -0.46 4.33 1.02 -1.26 -4.99 120.64 119.23 2qub n GLU 130 Ca 0.05 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 2qub n GLU 130 Cb 0.07 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.53 0.76 3.75 0.62 0.00 -0.52 -5.06 105.19 105.27 2qub n GLY 131 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.37 7.47 0.07 1.61 0.01 -1.26 -4.80 114.94 115.68 2qub s ASN 132 Ca 0.00 1.74 -0.31 0.00 -0.71 0.00 0.00 52.86 53.59 2qub s ASN 132 Cb 0.00 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 2qub s ASN 132 CO 0.00 0.08 1.31 -0.22 -1.51 0.00 0.00 177.10 176.77 2qub s LEU 133 N -0.64 4.36 -0.00 0.60 2.96 -1.26 -0.90 118.68 123.80 2qub s LEU 133 Ca 0.41 2.16 0.02 0.00 -0.22 0.00 0.00 54.13 56.50 2qub s LEU 133 Cb -0.24 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 2qub s LEU 133 CO 0.28 -0.59 0.04 1.07 -1.32 0.00 0.00 176.35 175.83 2qub n THR 134 N 4.06 0.00 -3.46 3.68 5.66 0.24 -4.92 114.28 119.55 2qub n THR 134 Ca 0.11 -0.07 -0.14 0.00 -3.05 0.00 0.00 64.05 60.90 2qub n THR 134 Cb 0.44 0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 69.69 2qub n THR 134 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qub s ALA 135 N -2.05 -1.67 -0.02 1.79 0.00 -1.17 -4.95 121.76 113.70 2qub s ALA 135 Ca -0.01 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.80 2qub s ALA 135 Cb 0.01 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 2qub s ALA 135 CO 0.07 -0.63 -0.19 0.42 0.00 0.00 0.00 175.76 175.43 2qub s ILE 136 N -2.86 1.55 -0.09 0.00 1.01 -0.76 -1.24 121.20 118.80 2qub s ILE 136 Ca -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2qub s ILE 136 Cb -0.01 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2qub s ILE 136 CO -0.05 0.44 -0.20 -0.83 0.00 0.00 0.00 174.94 174.30 2qub s GLY 137 N -0.34 1.40 -0.16 6.18 0.00 0.53 -1.29 107.32 113.64 2qub s GLY 137 Ca 0.05 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.81 2qub s GLY 137 CO 0.00 -0.42 -0.20 -0.42 0.00 0.00 0.00 173.10 172.06 2qub s ILE 138 N 0.10 2.13 -0.08 0.90 1.01 -0.07 -0.49 121.20 124.70 2qub s ILE 138 Ca -0.09 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.64 2qub s ILE 138 Cb -0.16 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.45 2qub s ILE 138 CO 0.06 0.54 -0.14 -0.55 0.00 0.00 0.00 174.94 174.84 2qub s SER 139 N 1.06 2.14 -0.15 3.58 0.15 -0.38 -0.92 113.70 119.17 2qub s SER 139 Ca -0.01 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.19 2qub s SER 139 Cb -0.14 -0.97 -0.05 0.00 -1.71 0.00 0.00 66.02 63.15 2qub s SER 139 CO -0.07 0.04 0.16 -0.36 1.20 0.00 0.00 173.24 174.20 2qub s PHE 140 N 0.74 3.51 0.30 3.44 0.08 -0.47 -0.60 117.98 124.99 2qub s PHE 140 Ca -0.12 0.46 -0.28 0.00 0.12 0.00 0.00 56.93 57.11 2qub s PHE 140 Cb -0.16 -2.07 -0.09 0.00 -0.57 0.00 0.00 43.02 40.12 2qub s PHE 140 CO 0.03 0.51 1.02 0.50 -0.10 0.00 0.00 175.22 177.17 2qub s ARG 141 N -0.33 4.58 0.00 0.44 3.52 -0.33 -3.82 118.95 123.02 2qub s ARG 141 Ca 0.12 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.29 2qub s ARG 141 Cb -0.12 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2qub s ARG 141 CO 0.02 0.23 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 2qub n GLY 142 N 0.96 -1.42 3.72 8.12 0.00 -1.18 -3.22 105.19 112.15 2qub n GLY 142 Ca 0.01 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2qub n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qub s THR 143 N -0.52 2.57 0.00 2.61 2.01 -1.26 -4.77 115.64 116.28 2qub s THR 143 Ca 0.00 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2qub s THR 143 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2qub s THR 143 CO 0.00 0.03 0.00 -1.54 -0.69 0.00 0.00 174.62 172.42 2qub n SER 144 N 4.14 0.00 -1.86 3.53 3.41 -1.26 -5.05 113.62 116.53 2qub n SER 144 Ca 0.14 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.71 2qub n SER 144 Cb 0.38 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.32 1.54 3.59 5.00 0.00 -1.26 -4.73 105.19 108.02 2qub n GLY 145 Ca 0.00 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.26 1.30 -0.31 1.61 -0.02 -1.26 -4.69 135.00 131.38 2qub n PRO 146 Ca -0.04 0.46 0.19 0.00 -2.02 0.00 0.00 63.50 62.09 2qub n PRO 146 Cb 0.28 -1.93 0.46 0.00 -0.02 0.00 0.00 33.50 32.29 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 1.66 0.48 0.00 -0.52 3.08 -1.97 -1.45 114.38 115.66 2qub h ARG 147 Ca -0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2qub h ARG 147 Cb 1.34 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2qub h ARG 147 CO 0.58 0.32 0.00 0.93 -1.07 0.00 0.00 179.97 180.73 2qub h GLU 148 N 0.50 0.00 -0.04 0.04 3.07 -1.90 -3.05 114.58 113.20 2qub h GLU 148 Ca 0.55 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.25 2qub h GLU 148 Cb 1.24 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.82 2qub h GLU 148 CO -0.28 0.00 -0.95 -1.13 -1.40 0.00 0.00 179.01 175.25 2qub n SER 149 N -2.64 1.22 -0.11 1.42 3.41 -0.62 -4.97 113.62 111.33 2qub n SER 149 Ca 0.01 -2.35 -0.05 0.00 -0.26 0.00 0.00 58.87 56.22 2qub n SER 149 Cb 0.24 -0.35 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 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 1.13 -0.18 0.12 1.04 5.85 -1.25 -1.31 115.31 120.71 2qub h LEU 150 Ca -0.18 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2qub h LEU 150 Cb 1.70 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.90 2qub h LEU 150 CO 0.10 -0.05 -0.06 0.40 -0.34 0.00 0.00 178.44 178.49 2qub h ILE 151 N 0.09 1.07 -0.96 4.05 2.04 -1.89 -1.04 117.51 120.87 2qub h ILE 151 Ca 0.19 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.19 2qub h ILE 151 Cb 0.26 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 2qub h ILE 151 CO -0.32 0.20 0.64 1.23 0.00 0.00 0.00 178.15 179.90 2qub h GLY 152 N -0.58 1.37 0.83 5.37 0.00 -1.97 -1.81 103.07 106.28 2qub h GLY 152 Ca -0.02 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 2qub h GLY 152 CO 0.03 0.48 -0.11 -1.80 0.00 0.00 0.00 176.54 175.13 2qub h ASP 153 N 1.29 0.49 -0.86 0.19 3.58 -1.21 -2.93 116.42 116.96 2qub h ASP 153 Ca 0.36 -0.41 0.05 0.00 0.42 0.00 0.00 57.03 57.45 2qub h ASP 153 Cb -0.12 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 40.74 2qub h ASP 153 CO -0.09 0.79 0.54 0.74 -2.88 0.00 0.00 179.24 178.35 2qub h THR 154 N 0.18 1.08 -0.70 2.25 2.02 -0.94 -2.00 112.91 114.79 2qub h THR 154 Ca 0.05 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 66.91 2qub h THR 154 Cb 0.61 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2qub h THR 154 CO 0.03 0.18 0.45 0.40 0.37 0.00 0.00 175.52 176.96 2qub h ILE 155 N 1.01 1.12 -0.72 3.11 2.04 -1.21 0.12 117.51 122.99 2qub h ILE 155 Ca 0.36 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 2qub h ILE 155 Cb 0.11 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 2qub h ILE 155 CO -0.15 0.16 0.24 1.23 0.00 0.00 0.00 178.15 179.62 2qub h GLY 156 N 0.89 1.18 1.00 5.37 0.00 -1.27 -1.80 103.07 108.42 2qub h GLY 156 Ca 0.27 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2qub h GLY 156 CO -0.09 0.63 0.35 -0.55 0.00 0.00 0.00 176.54 176.88 2qub h ASP 157 N 1.06 0.75 -0.66 0.19 3.32 -0.65 -2.32 116.42 118.11 2qub h ASP 157 Ca 0.23 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2qub h ASP 157 Cb 0.28 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2qub h ASP 157 CO -0.01 0.61 0.22 0.58 -1.72 0.00 0.00 179.24 178.92 2qub h VAL 158 N 0.83 1.25 -0.64 -1.35 2.07 -0.37 -0.08 116.25 117.96 2qub h VAL 158 Ca 0.22 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2qub h VAL 158 Cb 0.01 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2qub h VAL 158 CO -0.04 0.33 0.38 0.40 0.02 0.00 0.00 177.57 178.65 2qub h ILE 159 N 1.00 1.19 -0.44 4.57 2.04 -1.07 0.02 117.51 124.82 2qub h ILE 159 Ca 0.22 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2qub h ILE 159 Cb 0.27 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2qub h ILE 159 CO -0.01 0.20 0.28 0.78 0.00 0.00 0.00 178.15 179.40 2qub h ASN 160 N 0.86 0.51 -0.46 1.72 -0.26 -0.85 -1.59 115.58 115.51 2qub h ASN 160 Ca 0.23 -0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.98 2qub h ASN 160 Cb -0.01 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.08 2qub h ASN 160 CO -0.04 0.38 0.22 0.44 -1.06 0.00 0.00 177.43 177.37 2qub h ASP 161 N 0.59 0.31 -0.10 5.81 3.32 -0.62 -1.93 116.42 123.80 2qub h ASP 161 Ca 0.16 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 2qub h ASP 161 Cb -0.05 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2qub h ASP 161 CO -0.03 0.22 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.43 2qub h LEU 162 N 0.44 0.50 -0.71 1.55 3.38 -0.81 -2.79 115.31 116.87 2qub h LEU 162 Ca 0.20 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2qub h LEU 162 Cb 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2qub h LEU 162 CO -0.15 0.71 -0.58 -0.07 0.09 0.00 0.00 178.44 178.44 2qub h LEU 163 N 0.45 0.24 -1.09 1.67 3.38 -1.03 0.12 115.31 119.05 2qub h LEU 163 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2qub h LEU 163 Cb 0.60 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2qub h LEU 163 CO 0.04 0.76 0.33 0.00 0.09 0.00 0.00 178.44 179.66 2qub h ALA 164 N 1.24 1.29 0.14 1.53 0.00 -1.09 0.36 119.26 122.72 2qub h ALA 164 Ca -0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 2qub h ALA 164 Cb 1.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2qub h ALA 164 CO 0.09 0.55 -1.80 0.78 0.00 0.00 0.00 179.25 178.87 2qub h GLY 165 N 1.03 0.34 0.00 0.00 0.00 -1.31 -3.42 103.07 99.71 2qub h GLY 165 Ca 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2qub h GLY 165 CO -0.03 0.76 0.00 0.69 0.00 0.00 0.00 176.54 177.95 2qub n PHE 166 N -3.49 0.00 -1.38 5.60 3.72 0.39 -4.56 117.46 117.74 2qub n PHE 166 Ca -0.25 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2qub n PHE 166 Cb 1.06 -0.01 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 -0.11 0.45 3.76 1.37 0.00 0.12 -4.95 105.19 105.83 2qub n GLY 167 Ca 0.00 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 2qub n GLY 167 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qub s PRO 168 N -0.22 2.66 0.37 1.61 0.04 -1.26 -4.96 135.00 133.24 2qub s PRO 168 Ca 0.00 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 2qub s PRO 168 Cb 0.00 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 2qub s PRO 168 CO 0.00 -1.38 1.43 0.15 0.04 0.00 0.00 177.00 177.24 2qub s LYS 169 N -3.96 4.13 0.00 4.56 1.02 -1.26 -2.50 119.74 121.72 2qub s LYS 169 Ca 0.70 2.47 0.00 0.00 0.02 0.00 0.00 55.97 59.15 2qub s LYS 169 Cb -0.23 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2qub s LYS 169 CO 0.41 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 2qub n GLY 170 N 0.55 0.79 0.20 -3.33 0.00 -1.26 -4.97 105.19 97.16 2qub n GLY 170 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.39 -0.45 1.61 3.20 -1.83 -1.20 116.97 117.92 2qub h TYR 171 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2qub h TYR 171 Cb 0.00 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 2qub h TYR 171 CO 0.00 -0.18 0.17 0.00 -1.64 0.00 0.00 178.16 176.51 2qub h ALA 172 N 0.14 0.54 -0.53 1.82 0.00 -1.85 -1.27 119.26 118.12 2qub h ALA 172 Ca -0.04 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2qub h ALA 172 Cb 0.39 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2qub h ALA 172 CO 0.07 -0.22 0.36 -0.44 0.00 0.00 0.00 179.25 179.02 2qub h ASP 173 N 0.35 0.33 1.34 0.00 3.32 -1.88 -2.52 116.42 117.35 2qub h ASP 173 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2qub h ASP 173 Cb 0.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2qub h ASP 173 CO -0.20 0.21 -0.31 1.23 -1.72 0.00 0.00 179.24 178.44 2qub h GLY 174 N 0.37 0.00 -0.01 2.75 0.00 -0.04 -3.41 103.07 102.73 2qub h GLY 174 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.65 2qub h GLY 174 CO -0.06 0.00 -0.24 -1.82 0.00 0.00 0.00 176.54 174.42 2qub h TYR 175 N 0.00 -0.64 -0.08 5.60 5.03 -0.97 -1.59 116.97 124.32 2qub h TYR 175 Ca 0.00 0.05 -0.16 0.00 2.58 0.00 0.00 58.73 61.20 2qub h TYR 175 Cb 0.82 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 39.43 2qub h TYR 175 CO 0.00 -0.32 -0.63 1.15 -1.32 0.00 0.00 178.16 177.04 2qub h THR 176 N -0.19 1.38 -0.33 1.81 2.02 -1.80 0.11 112.91 115.91 2qub h THR 176 Ca 0.18 -2.01 -0.04 0.00 0.77 0.00 0.00 66.41 65.31 2qub h THR 176 Cb 0.47 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2qub h THR 176 CO -0.48 0.60 0.07 0.25 0.37 0.00 0.00 175.52 176.33 2qub h LEU 177 N 0.21 0.52 -0.40 2.58 5.85 -1.75 0.80 115.31 123.12 2qub h LEU 177 Ca -0.01 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.29 2qub h LEU 177 Cb 1.15 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2qub h LEU 177 CO 0.10 0.63 -0.63 0.11 -0.34 0.00 0.00 178.44 178.31 2qub h LYS 178 N 0.38 0.61 0.01 1.25 1.57 -1.14 -1.42 116.57 117.83 2qub h LYS 178 Ca 0.10 -0.43 -0.20 0.00 -1.87 0.00 0.00 60.65 58.26 2qub h LYS 178 Cb 0.32 0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.71 2qub h LYS 178 CO 0.00 1.05 -0.78 0.00 -0.57 0.00 0.00 179.45 179.15 2qub h ALA 179 N 0.85 0.08 0.00 3.86 0.00 -0.95 -3.14 119.26 119.97 2qub h ALA 179 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 2qub h ALA 179 Cb 1.21 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2qub h ALA 179 CO 0.12 0.47 -0.56 1.19 0.00 0.00 0.00 179.25 180.48 2qub n PHE 180 N -4.08 0.00 -0.16 0.00 3.72 0.27 -0.50 117.46 116.70 2qub n PHE 180 Ca -0.11 -0.31 -0.02 0.00 -0.05 0.00 0.00 57.45 56.96 2qub n PHE 180 Cb 0.76 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.27 0.53 0.78 1.37 0.00 -1.16 -0.74 103.07 104.12 2qub h GLY 181 Ca -0.05 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2qub h GLY 181 CO 0.02 -0.13 -0.02 3.43 0.00 0.00 0.00 176.54 179.84 2qub h ASN 182 N 0.13 0.30 -0.52 0.19 -0.26 -1.90 -2.87 115.58 110.65 2qub h ASN 182 Ca 0.25 -0.34 0.07 0.00 -0.56 0.00 0.00 56.30 55.73 2qub h ASN 182 Cb 0.38 -0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 37.50 2qub h ASN 182 CO -0.41 0.57 0.19 0.25 -1.06 0.00 0.00 177.43 176.97 2qub h LEU 183 N 0.03 0.20 -1.57 1.61 5.85 -1.87 -1.87 115.31 117.70 2qub h LEU 183 Ca 0.04 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2qub h LEU 183 Cb 0.42 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2qub h LEU 183 CO 0.01 0.14 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.03 2qub h LEU 184 N 0.38 0.08 -0.45 2.25 3.38 -1.12 -0.49 115.31 119.34 2qub h LEU 184 Ca 0.25 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2qub h LEU 184 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qub h LEU 184 CO -0.25 0.24 -0.15 1.23 0.09 0.00 0.00 178.44 179.61 2qub h GLY 185 N 0.59 0.97 1.04 0.83 0.00 -1.13 -2.24 103.07 103.13 2qub h GLY 185 Ca 0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.41 2qub h GLY 185 CO 0.02 0.75 -0.13 -0.55 0.00 0.00 0.00 176.54 176.64 2qub h ASP 186 N 0.73 0.90 -0.81 0.19 3.32 -0.75 -2.52 116.42 117.49 2qub h ASP 186 Ca 0.11 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 2qub h ASP 186 Cb 0.70 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2qub h ASP 186 CO 0.05 1.06 0.49 0.58 -1.72 0.00 0.00 179.24 179.70 2qub h VAL 187 N 0.73 1.23 -0.73 -1.35 2.07 -1.10 -0.85 116.25 116.25 2qub h VAL 187 Ca 0.11 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2qub h VAL 187 Cb 0.68 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2qub h VAL 187 CO 0.05 0.24 0.48 0.00 0.02 0.00 0.00 177.57 178.35 2qub h ALA 188 N 1.26 0.93 -0.30 1.67 0.00 -1.29 0.24 119.26 121.77 2qub h ALA 188 Ca 0.29 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 2qub h ALA 188 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2qub h ALA 188 CO -0.05 0.32 -0.42 0.87 0.00 0.00 0.00 179.25 179.96 2qub h LYS 189 N 0.96 0.73 -0.45 0.00 1.57 -1.09 -0.80 116.57 117.48 2qub h LYS 189 Ca 0.27 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2qub h LYS 189 Cb -0.08 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2qub h LYS 189 CO -0.07 1.01 0.17 0.35 -0.57 0.00 0.00 179.45 180.34 2qub h PHE 190 N 0.59 0.71 -0.47 -1.35 3.57 -0.92 -0.76 116.94 118.30 2qub h PHE 190 Ca 0.04 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2qub h PHE 190 Cb 0.97 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2qub h PHE 190 CO 0.05 0.62 0.29 0.00 -2.23 0.00 0.00 178.31 177.03 2qub h ALA 191 N 1.01 0.61 -0.73 2.41 0.00 -0.34 -2.68 119.26 119.53 2qub h ALA 191 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qub h ALA 191 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2qub h ALA 191 CO -0.01 0.09 0.37 1.96 0.00 0.00 0.00 179.25 181.67 2qub h GLN 192 N 0.63 1.03 -0.05 0.00 4.20 -0.98 -1.21 115.11 118.74 2qub h GLN 192 Ca 0.17 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.76 2qub h GLN 192 Cb -0.01 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 2qub h GLN 192 CO -0.03 0.79 0.06 0.00 -0.67 0.00 0.00 178.83 178.97 2qub h ALA 193 N 1.19 1.58 -0.58 3.87 0.00 -0.85 -1.47 119.26 123.00 2qub h ALA 193 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qub h ALA 193 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qub h ALA 193 CO -0.04 -0.08 0.00 0.72 0.00 0.00 0.00 179.25 179.85 2qub n HIS 194 N -3.81 1.02 -1.01 0.00 8.25 -0.78 -4.96 115.22 113.94 2qub n HIS 194 Ca -0.02 -0.56 -0.00 0.00 -0.26 0.00 0.00 57.72 56.88 2qub n HIS 194 Cb 0.15 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 1.06 0.45 3.92 -1.41 0.00 -0.55 -4.94 105.19 103.72 2qub n GLY 195 Ca 0.22 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.05 4.23 0.48 0.99 1.43 -0.53 -5.01 118.68 120.22 2qub s LEU 196 Ca 0.00 0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2qub s LEU 196 Cb 0.00 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2qub s LEU 196 CO 0.00 -0.02 0.06 -0.94 0.23 0.00 0.00 176.35 175.68 2qub s SER 197 N -2.99 4.14 0.46 2.29 1.04 -1.26 -3.98 113.70 113.40 2qub s SER 197 Ca 0.39 -1.48 0.20 0.00 0.48 0.00 0.00 55.95 55.55 2qub s SER 197 Cb -0.11 0.15 1.19 0.00 0.10 0.00 0.00 66.02 67.35 2qub s SER 197 CO 0.28 -0.73 1.91 1.23 0.98 0.00 0.00 173.24 176.91 2qub h GLY 198 N 1.42 0.52 2.00 7.32 0.00 -1.91 -0.04 103.07 112.37 2qub h GLY 198 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2qub h GLY 198 CO 0.74 0.02 0.00 1.18 0.00 0.00 0.00 176.54 178.48 2qub n GLU 199 N -4.44 0.13 -0.33 4.80 1.02 -1.25 -1.95 120.64 118.62 2qub n GLU 199 Ca 0.15 0.40 0.07 0.00 -0.02 0.00 0.00 57.16 57.76 2qub n GLU 199 Cb 0.65 -1.77 0.22 0.00 -0.02 0.00 0.00 31.44 30.52 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 -2.02 2.88 -4.28 1.62 8.00 -0.03 -4.78 116.55 117.94 2qub n ASP 200 Ca 0.02 -2.16 -0.33 0.00 0.71 0.00 0.00 54.79 53.03 2qub n ASP 200 Cb 0.19 -0.40 -0.15 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.59 2.67 -0.15 2.53 1.01 -0.82 -1.82 120.40 122.23 2qub s VAL 201 Ca 0.32 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2qub s VAL 201 Cb 0.19 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2qub s VAL 201 CO 0.18 0.52 0.06 0.54 0.00 0.00 0.00 175.10 176.40 2qub s VAL 202 N 0.66 4.80 -0.13 2.92 0.11 -0.41 -1.50 120.40 126.84 2qub s VAL 202 Ca -0.08 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.95 2qub s VAL 202 Cb -0.16 -3.12 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 2qub s VAL 202 CO 0.02 0.52 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.42 2qub s VAL 203 N -0.11 1.91 0.29 2.04 1.01 0.14 -0.89 120.40 124.79 2qub s VAL 203 Ca 0.07 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2qub s VAL 203 Cb -0.12 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2qub s VAL 203 CO 0.01 0.52 0.35 -0.24 0.00 0.00 0.00 175.10 175.74 2qub n SER 204 N 4.14 -0.94 0.00 3.32 2.88 -0.10 -1.32 113.62 121.61 2qub n SER 204 Ca -0.20 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 2qub n SER 204 Cb 0.51 1.87 0.00 0.00 -0.75 0.00 0.00 64.21 65.84 2qub n SER 204 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qub n GLY 205 N -0.51 3.62 3.12 0.46 0.00 -1.25 -1.37 105.19 109.27 2qub n GLY 205 Ca 0.03 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 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 1.54 0.00 1.61 2.46 -1.25 -1.17 115.29 116.48 2qub s HIS 206 Ca 0.00 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.13 2qub s HIS 206 Cb 0.00 -1.03 0.00 0.00 -0.13 0.00 0.00 32.58 31.42 2qub s HIS 206 CO 0.00 -0.12 0.00 0.45 -2.47 0.00 0.00 174.74 172.60 2qub n SER 207 N 3.05 0.00 0.05 9.88 2.88 -0.22 -1.16 113.62 128.10 2qub n SER 207 Ca -0.17 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.52 2qub n SER 207 Cb 0.53 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.62 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 0.10 -0.99 2.46 5.85 -1.85 0.10 115.31 120.98 2qub h LEU 208 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2qub h LEU 208 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2qub h LEU 208 CO 0.00 0.06 -0.28 1.23 -0.34 0.00 0.00 178.44 179.11 2qub h GLY 209 N 0.11 0.42 1.13 3.75 0.00 -1.11 -1.45 103.07 105.93 2qub h GLY 209 Ca 0.19 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 2qub h GLY 209 CO -0.02 0.32 -0.29 -1.33 0.00 0.00 0.00 176.54 175.22 2qub h GLY 210 N 1.04 1.06 0.62 4.60 0.00 -0.86 -1.85 103.07 107.68 2qub h GLY 210 Ca 0.05 -0.99 0.06 0.00 0.00 0.00 0.00 47.33 46.45 2qub h GLY 210 CO 0.05 0.90 0.33 -2.00 0.00 0.00 0.00 176.54 175.82 2qub h LEU 211 N 0.82 0.46 -1.40 3.11 6.46 -0.94 -2.01 115.31 121.82 2qub h LEU 211 Ca 0.09 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2qub h LEU 211 Cb 0.87 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2qub h LEU 211 CO 0.08 0.29 -0.05 0.00 -0.62 0.00 0.00 178.44 178.14 2qub h ALA 212 N 1.35 1.51 -0.16 1.25 0.00 -0.95 0.14 119.26 122.40 2qub h ALA 212 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2qub h ALA 212 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qub h ALA 212 CO -0.20 0.35 0.04 0.28 0.00 0.00 0.00 179.25 179.71 2qub h VAL 213 N 0.32 1.21 -0.80 0.00 2.07 -0.72 -0.78 116.25 117.54 2qub h VAL 213 Ca 0.07 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2qub h VAL 213 Cb 0.30 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2qub h VAL 213 CO 0.01 0.20 0.32 0.78 0.02 0.00 0.00 177.57 178.90 2qub h ASN 214 N 0.06 1.10 -0.21 0.57 2.35 -0.80 -2.02 115.58 116.63 2qub h ASN 214 Ca 0.05 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2qub h ASN 214 Cb 0.27 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2qub h ASN 214 CO 0.00 0.97 0.13 -1.28 -1.65 0.00 0.00 177.43 175.60 2qub h SER 215 N 1.16 0.21 -0.56 5.81 0.87 -0.63 -0.29 113.55 120.12 2qub h SER 215 Ca 0.27 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2qub h SER 215 Cb 0.21 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2qub h SER 215 CO -0.02 0.15 0.37 -0.03 -0.53 0.00 0.00 176.83 176.77 2qub h MET 216 N 0.26 0.73 -0.55 2.24 1.85 -0.97 -1.95 114.93 116.54 2qub h MET 216 Ca 0.08 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.14 2qub h MET 216 Cb -0.02 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.82 2qub h MET 216 CO -0.03 0.48 0.34 0.00 -0.40 0.00 0.00 176.91 177.31 2qub h ALA 217 N 1.21 0.70 0.00 0.39 0.00 -1.17 -1.40 119.26 118.99 2qub h ALA 217 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2qub h ALA 217 Cb -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2qub h ALA 217 CO -0.05 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.24 2qub h ALA 218 N 1.23 1.31 -0.01 0.00 0.00 -0.40 -2.35 119.26 119.04 2qub h ALA 218 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qub h ALA 218 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qub h ALA 218 CO -0.08 0.04 -0.48 1.04 0.00 0.00 0.00 179.25 179.76 2qub n GLN 219 N -3.57 1.26 0.21 0.00 1.13 -0.72 -4.68 117.38 111.01 2qub n GLN 219 Ca -0.03 -0.88 0.13 0.00 -1.94 0.00 0.00 57.00 54.29 2qub n GLN 219 Cb 0.13 -1.43 0.35 0.00 0.11 0.00 0.00 30.24 29.40 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 2.10 0.00 0.15 1.08 4.64 -0.71 -1.19 113.55 119.61 2qub h SER 220 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2qub h SER 220 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2qub h SER 220 CO 0.00 0.00 -0.88 0.44 -0.87 0.00 0.00 176.83 175.52 2qub h ASP 221 N 0.00 0.69 0.12 4.97 3.32 -1.84 -3.27 116.42 120.41 2qub h ASP 221 Ca 0.00 -0.51 -0.36 0.00 0.02 0.00 0.00 57.03 56.19 2qub h ASP 221 Cb 0.80 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 2qub h ASP 221 CO 0.00 1.29 -2.22 0.00 -1.72 0.00 0.00 179.24 176.59 2qub n ALA 222 N -2.57 1.39 -2.44 3.45 0.00 -1.16 -4.38 120.51 114.80 2qub n ALA 222 Ca -0.07 -1.05 -0.21 0.00 0.00 0.00 0.00 53.44 52.10 2qub n ALA 222 Cb 0.80 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -6.12 5.94 -1.57 0.00 0.01 -0.46 -4.52 114.94 108.21 2qub s ASN 223 Ca -0.18 0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.02 2qub s ASN 223 Cb 0.07 -1.45 0.01 0.00 0.41 0.00 0.00 41.25 40.29 2qub s ASN 223 CO 0.76 -0.53 0.39 0.79 -1.51 0.00 0.00 177.10 176.99 2qub n TRP 224 N -1.84 -1.65 -1.11 2.20 8.01 -1.26 -1.26 117.44 120.53 2qub n TRP 224 Ca -0.00 0.34 -0.04 0.00 -1.31 0.00 0.00 57.50 56.49 2qub n TRP 224 Cb 0.58 -4.12 -0.02 0.00 -2.01 0.00 0.00 31.31 25.74 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 -1.31 0.50 2.19 6.99 0.00 -1.26 -1.68 105.19 110.62 2qub n GLY 225 Ca -0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.41 0.42 0.36 -0.02 0.00 -0.39 -4.92 105.19 100.23 2qub n GLY 226 Ca -0.04 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 1.04 -0.62 1.61 3.57 -1.49 -2.07 116.94 118.97 2qub h PHE 227 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qub h PHE 227 Cb 0.19 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2qub h PHE 227 CO 0.12 0.33 0.00 0.66 -2.23 0.00 0.00 178.31 177.19 2qub n TYR 228 N -4.66 0.85 -0.26 0.41 4.01 -1.26 -3.52 117.16 112.73 2qub n TYR 228 Ca 0.20 -0.42 0.10 0.00 -0.16 0.00 0.00 57.90 57.63 2qub n TYR 228 Cb 0.48 -0.01 0.36 0.00 -0.31 0.00 0.00 39.34 39.86 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 4.13 1.77 -0.39 -0.72 0.00 -1.42 -1.84 119.26 120.79 2qub h ALA 229 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2qub h ALA 229 Cb 0.85 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2qub h ALA 229 CO 0.01 0.02 0.03 1.04 0.00 0.00 0.00 179.25 180.34 2qub n GLN 230 N -4.54 3.37 -1.28 0.00 1.13 -1.26 -4.94 117.38 109.86 2qub n GLN 230 Ca 0.16 -2.97 -0.30 0.00 -1.94 0.00 0.00 57.00 51.95 2qub n GLN 230 Cb 0.39 -1.98 0.13 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 -1.63 3.65 -0.49 1.08 0.01 -0.69 -3.91 113.70 111.71 2qub s SER 231 Ca 0.47 1.43 -0.18 0.00 1.31 0.00 0.00 55.95 58.98 2qub s SER 231 Cb 0.38 -2.12 0.06 0.00 0.21 0.00 0.00 66.02 64.55 2qub s SER 231 CO 0.10 -2.52 0.54 0.20 0.41 0.00 0.00 173.24 171.97 2qub s ASN 232 N -3.53 6.20 -0.40 2.44 0.01 -0.57 -4.98 114.94 114.11 2qub s ASN 232 Ca 0.63 -1.06 -0.14 0.00 -0.71 0.00 0.00 52.86 51.58 2qub s ASN 232 Cb -0.17 -2.25 0.02 0.00 0.41 0.00 0.00 41.25 39.26 2qub s ASN 232 CO 0.56 -0.80 0.28 -0.31 -1.51 0.00 0.00 177.10 175.33 2qub s TYR 233 N 2.26 3.24 -0.29 2.20 2.02 -1.24 -0.68 117.35 124.86 2qub s TYR 233 Ca 0.11 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 2qub s TYR 233 Cb -0.21 -2.56 0.07 0.00 -0.40 0.00 0.00 41.96 38.86 2qub s TYR 233 CO 0.10 -0.57 -0.05 0.08 -1.57 0.00 0.00 175.55 173.54 2qub s VAL 234 N 1.67 2.14 -0.14 0.71 1.01 -0.43 -1.82 120.40 123.54 2qub s VAL 234 Ca 0.05 -1.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.14 2qub s VAL 234 Cb -0.19 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2qub s VAL 234 CO 0.10 -0.24 0.02 0.00 0.00 0.00 0.00 175.10 174.98 2qub s ALA 235 N 1.06 3.27 -0.13 5.51 0.00 -0.38 -3.95 121.76 127.14 2qub s ALA 235 Ca -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 2qub s ALA 235 Cb -0.20 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2qub s ALA 235 CO -0.06 0.36 -0.02 -0.06 0.00 0.00 0.00 175.76 175.97 2qub s PHE 236 N -0.16 3.07 -1.26 0.00 0.40 -0.32 -0.52 117.98 119.19 2qub s PHE 236 Ca 0.05 -0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 2qub s PHE 236 Cb -0.12 -1.90 0.04 0.00 0.51 0.00 0.00 43.02 41.54 2qub s PHE 236 CO 0.02 0.15 0.35 0.00 0.70 0.00 0.00 175.22 176.44 2qub n ALA 237 N 3.05 -0.95 -1.89 5.36 0.00 -0.28 -1.06 120.51 124.73 2qub n ALA 237 Ca -0.18 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 2qub n ALA 237 Cb 0.53 -2.57 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 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 -2.49 7.23 0.50 0.00 0.15 -1.26 -3.43 113.70 114.39 2qub s SER 238 Ca 0.25 2.22 0.29 0.00 0.70 0.00 0.00 55.95 59.41 2qub s SER 238 Cb -0.13 -2.62 0.95 0.00 -1.71 0.00 0.00 66.02 62.51 2qub s SER 238 CO 0.31 -0.21 1.83 1.55 1.20 0.00 0.00 173.24 177.92 2qub h PRO 239 N 4.42 0.00 -6.14 5.44 0.13 -1.79 -0.53 132.00 133.53 2qub h PRO 239 Ca -0.46 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 2qub h PRO 239 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2qub h PRO 239 CO 0.70 0.03 -0.60 0.95 -0.23 0.00 0.00 178.00 178.85 2qub s THR 240 N -3.49 3.20 -0.04 1.56 -4.23 -1.26 -0.66 115.64 110.71 2qub s THR 240 Ca 0.03 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 2qub s THR 240 Cb 0.08 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 71.05 2qub s THR 240 CO 0.60 -0.28 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.25 2qub s GLN 241 N -3.74 0.82 -0.30 3.99 1.11 -0.54 -4.88 119.66 116.12 2qub s GLN 241 Ca 0.34 -0.11 -0.08 0.00 0.01 0.00 0.00 55.36 55.52 2qub s GLN 241 Cb -0.04 -0.82 -0.00 0.00 -1.01 0.00 0.00 33.01 31.14 2qub s GLN 241 CO 0.21 -0.07 0.12 -0.47 0.01 0.00 0.00 175.29 175.09 2qub s TYR 242 N 0.86 3.16 -0.06 0.91 5.04 -1.26 -4.51 117.35 121.49 2qub s TYR 242 Ca -0.12 -0.70 0.01 0.00 -2.44 0.00 0.00 57.07 53.82 2qub s TYR 242 Cb -0.14 -2.31 -0.01 0.00 0.35 0.00 0.00 41.96 39.85 2qub s TYR 242 CO 0.00 -0.49 0.05 0.39 -1.34 0.00 0.00 175.55 174.17 2qub n GLU 243 N 4.93 6.13 -2.01 4.97 1.02 -1.26 -4.39 120.64 130.04 2qub n GLU 243 Ca -0.14 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.57 2qub n GLU 243 Cb 0.49 -0.59 -0.03 0.00 -0.02 0.00 0.00 31.44 31.29 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 -1.19 3.63 0.00 0.62 0.00 -1.26 -2.19 121.76 121.38 2qub s ALA 244 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2qub s ALA 244 Cb 0.01 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2qub s ALA 244 CO 0.05 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.00 2qub n GLY 245 N 4.01 1.11 3.70 0.00 0.00 -1.26 -4.47 105.19 108.28 2qub n GLY 245 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.33 0.10 -0.02 0.00 -0.93 -4.93 105.19 97.08 2qub n GLY 246 Ca 0.00 0.14 0.04 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 -1.93 0.00 -5.90 1.61 1.57 -1.83 -3.47 116.57 106.62 2qub h LYS 247 Ca -0.60 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.49 2qub h LYS 247 Cb 1.36 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.35 2qub h LYS 247 CO 0.57 0.19 -0.88 0.08 -0.57 0.00 0.00 179.45 178.84 2qub s VAL 248 N -3.08 2.04 -0.23 0.50 1.01 -1.26 -3.65 120.40 115.73 2qub s VAL 248 Ca -0.02 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 2qub s VAL 248 Cb 0.09 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2qub s VAL 248 CO 0.80 0.56 0.15 -0.51 0.00 0.00 0.00 175.10 176.11 2qub s ILE 249 N -0.09 5.37 -0.43 2.22 2.07 -0.76 -4.80 121.20 124.78 2qub s ILE 249 Ca -0.06 0.18 -0.10 0.00 -1.41 0.00 0.00 60.65 59.26 2qub s ILE 249 Cb -0.14 -3.49 0.08 0.00 0.13 0.00 0.00 42.46 39.04 2qub s ILE 249 CO 0.04 0.37 0.29 0.20 -1.91 0.00 0.00 174.94 173.93 2qub s ASN 250 N 0.85 5.73 -0.14 4.50 0.01 0.32 -1.24 114.94 124.96 2qub s ASN 250 Ca 0.08 -1.49 -0.05 0.00 -0.71 0.00 0.00 52.86 50.69 2qub s ASN 250 Cb -0.13 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 2qub s ASN 250 CO 0.03 -0.56 0.04 -0.63 -1.51 0.00 0.00 177.10 174.46 2qub s ILE 251 N 1.46 4.59 -0.06 0.60 1.01 0.32 -1.72 121.20 127.40 2qub s ILE 251 Ca 0.03 -0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.25 2qub s ILE 251 Cb -0.23 -3.01 0.12 0.00 0.01 0.00 0.00 42.46 39.35 2qub s ILE 251 CO 0.03 0.54 1.35 -0.83 0.00 0.00 0.00 174.94 176.03 2qub s GLY 252 N -0.24 -0.32 -0.08 6.18 0.00 -1.26 -1.13 107.32 110.47 2qub s GLY 252 Ca 0.07 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.12 2qub s GLY 252 CO 0.02 3.12 0.39 -0.19 0.00 0.00 0.00 173.10 176.44 2qub s TYR 253 N -2.10 3.60 0.51 1.90 2.02 -1.26 -4.49 117.35 117.53 2qub s TYR 253 Ca 0.23 0.85 0.26 0.00 -0.37 0.00 0.00 57.07 58.04 2qub s TYR 253 Cb 0.03 -2.37 1.55 0.00 -0.40 0.00 0.00 41.96 40.77 2qub s TYR 253 CO -0.04 0.41 2.16 1.05 -1.57 0.00 0.00 175.55 177.56 2qub h GLU 254 N 5.79 0.00 -0.46 -0.62 4.11 -0.79 -1.35 114.58 121.27 2qub h GLU 254 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2qub h GLU 254 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2qub h GLU 254 CO 0.69 0.06 0.00 0.27 0.07 0.00 0.00 179.01 180.10 2qub n ASN 255 N -3.92 2.55 -4.58 3.06 6.94 -1.26 -4.77 115.26 113.27 2qub n ASN 255 Ca -0.03 -1.98 -0.43 0.00 -0.02 0.00 0.00 54.58 52.13 2qub n ASN 255 Cb 0.15 -0.30 -0.04 0.00 -2.36 0.00 0.00 39.78 37.22 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 -1.06 6.54 0.40 0.53 -1.08 -0.51 -4.77 116.67 116.72 2qub s ASP 256 Ca 0.32 0.26 0.28 0.00 -0.52 0.00 0.00 52.55 52.90 2qub s ASP 256 Cb 0.17 -2.43 1.25 0.00 -1.46 0.00 0.00 42.92 40.45 2qub s ASP 256 CO 0.23 -0.90 1.85 1.55 0.52 0.00 0.00 175.17 178.42 2qub h PRO 257 N 8.76 0.00 0.07 4.34 0.13 -1.86 -2.22 132.00 141.22 2qub h PRO 257 Ca -0.24 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.65 2qub h PRO 257 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2qub h PRO 257 CO 0.98 0.00 -1.10 0.28 -0.23 0.00 0.00 178.00 177.92 2qub h VAL 258 N 0.00 1.57 -2.58 1.56 2.07 -1.92 -3.40 116.25 113.55 2qub h VAL 258 Ca 0.00 -3.11 -0.55 0.00 0.82 0.00 0.00 66.70 63.86 2qub h VAL 258 Cb 0.34 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2qub h VAL 258 CO 0.00 0.90 1.14 0.12 0.02 0.00 0.00 177.57 179.75 2qub s PHE 259 N -2.76 1.87 -1.51 1.57 5.36 -0.84 -1.86 117.98 119.81 2qub s PHE 259 Ca -0.02 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 2qub s PHE 259 Cb 0.09 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 2qub s PHE 259 CO 0.85 -3.86 0.00 0.54 -1.46 0.00 0.00 175.22 171.29 2qub n ARG 260 N 7.40 -1.15 0.00 10.12 1.74 -0.21 -4.91 116.66 129.65 2qub n ARG 260 Ca 0.19 0.92 0.10 0.00 -0.77 0.00 0.00 57.85 58.29 2qub n ARG 260 Cb 0.43 -5.17 0.52 0.00 -1.02 0.00 0.00 32.46 27.22 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 0.32 1.98 -2.95 7.54 0.00 -1.31 -3.42 119.26 121.42 2qub h ALA 261 Ca -0.34 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 53.94 2qub h ALA 261 Cb 1.13 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2qub h ALA 261 CO 0.45 -0.06 -0.54 -0.51 0.00 0.00 0.00 179.25 178.60 2qub s LEU 262 N -9.28 4.13 -0.69 0.00 1.43 0.16 -4.15 118.68 110.28 2qub s LEU 262 Ca -0.07 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2qub s LEU 262 Cb 0.19 -2.75 0.16 0.00 0.03 0.00 0.00 46.19 43.82 2qub s LEU 262 CO 0.73 0.15 0.69 -0.62 0.23 0.00 0.00 176.35 177.53 2qub s ASP 263 N -2.59 6.45 0.37 2.29 -1.08 -0.18 -4.65 116.67 117.27 2qub s ASP 263 Ca 0.33 -2.11 0.00 0.00 -0.52 0.00 0.00 52.55 50.25 2qub s ASP 263 Cb -0.12 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 2qub s ASP 263 CO 0.26 -0.81 0.00 0.61 0.52 0.00 0.00 175.17 175.75 2qub n GLY 264 N 4.76 1.82 0.00 2.66 0.00 -1.26 -1.59 105.19 111.58 2qub n GLY 264 Ca 0.01 -0.05 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 0.59 -3.26 2.61 -2.24 -1.26 -1.46 114.28 109.26 2qub n THR 265 Ca 0.00 -0.66 -0.39 0.00 -2.27 0.00 0.00 64.05 60.73 2qub n THR 265 Cb 0.00 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.59 6.99 -0.04 3.42 0.01 -0.62 -4.93 113.70 117.94 2qub s SER 266 Ca 0.00 1.18 -0.30 0.00 1.31 0.00 0.00 55.95 58.14 2qub s SER 266 Cb 0.00 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 2qub s SER 266 CO 0.00 0.19 1.15 -0.22 0.41 0.00 0.00 173.24 174.78 2qub s LEU 267 N -0.63 4.30 0.34 2.44 2.96 -1.26 -1.01 118.68 125.82 2qub s LEU 267 Ca 0.29 1.80 0.03 0.00 -0.22 0.00 0.00 54.13 56.04 2qub s LEU 267 Cb -0.19 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 2qub s LEU 267 CO 0.17 -0.51 0.08 0.42 -1.32 0.00 0.00 176.35 175.19 2qub s THR 268 N 1.86 0.94 0.19 3.68 -4.23 -1.26 -4.99 115.64 111.83 2qub s THR 268 Ca 0.55 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 2qub s THR 268 Cb -0.24 -2.64 0.10 0.00 1.34 0.00 0.00 72.50 71.05 2qub s THR 268 CO 0.23 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.36 2qub h LEU 269 N 2.05 0.44 -2.56 4.79 5.85 -1.97 -0.50 115.31 123.41 2qub h LEU 269 Ca -0.39 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2qub h LEU 269 Cb 1.25 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2qub h LEU 269 CO 0.65 0.30 0.15 -0.65 -0.34 0.00 0.00 178.44 178.54 2qub h PRO 270 N 0.57 0.00 -0.65 5.25 0.11 -1.94 -2.64 132.00 132.70 2qub h PRO 270 Ca 0.24 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.50 2qub h PRO 270 Cb 0.13 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.20 2qub h PRO 270 CO -0.16 0.00 0.44 0.77 -0.21 0.00 0.00 178.00 178.85 2qub h SER 271 N 0.00 0.24 -0.42 -2.05 0.02 -1.24 -0.77 113.55 109.34 2qub h SER 271 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2qub h SER 271 Cb 0.29 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2qub h SER 271 CO -0.00 0.13 0.00 0.18 -1.14 0.00 0.00 176.83 176.00 2qub n LEU 272 N -4.44 3.21 0.00 5.07 4.77 -0.99 -4.63 117.00 119.99 2qub n LEU 272 Ca 0.12 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 2qub n LEU 272 Cb 0.53 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2qub n LEU 272 CO 0.34 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 2qub n GLY 273 N 1.46 5.22 3.71 -0.72 0.00 -0.29 -4.42 105.19 110.15 2qub n GLY 273 Ca 0.19 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 3.02 4.95 -0.51 1.61 1.01 -1.25 -4.55 120.40 124.68 2qub s VAL 274 Ca 0.00 1.70 0.06 0.00 0.00 0.00 0.00 61.98 63.74 2qub s VAL 274 Cb 0.00 -4.16 0.21 0.00 0.00 0.00 0.00 36.38 32.43 2qub s VAL 274 CO 0.00 0.18 0.50 0.00 0.00 0.00 0.00 175.10 175.78 2qub n HIS 275 N 4.05 0.95 -0.96 5.22 1.44 -1.26 -4.72 115.22 119.94 2qub n HIS 275 Ca 0.02 -3.74 0.09 0.00 -2.01 0.00 0.00 57.72 52.07 2qub n HIS 275 Cb 0.51 -0.25 0.25 0.00 0.12 0.00 0.00 29.99 30.62 2qub n HIS 275 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2qub n ASP 276 N 1.87 3.81 -4.74 4.39 2.03 -1.26 -4.85 116.55 117.80 2qub n ASP 276 Ca 0.25 -2.98 -0.42 0.00 0.52 0.00 0.00 54.79 52.17 2qub n ASP 276 Cb 0.45 -0.53 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 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 -2.75 3.78 0.34 -1.67 0.00 -1.26 -4.66 121.76 115.54 2qub s ALA 277 Ca 0.41 1.56 -0.27 0.00 0.00 0.00 0.00 51.96 53.66 2qub s ALA 277 Cb 0.33 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2qub s ALA 277 CO 0.09 -0.95 1.17 -1.25 0.00 0.00 0.00 175.76 174.81 2qub s PRO 278 N -0.07 4.33 0.02 0.00 0.04 -1.26 -5.04 135.00 133.02 2qub s PRO 278 Ca 0.66 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.61 2qub s PRO 278 Cb -0.48 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2qub s PRO 278 CO 0.44 -0.09 -0.04 -1.01 0.04 0.00 0.00 177.00 176.33 2qub s HIS 279 N -1.29 2.94 0.35 0.56 3.76 -1.26 -5.04 115.29 115.31 2qub s HIS 279 Ca 0.51 -0.01 0.04 0.00 -0.15 0.00 0.00 55.06 55.45 2qub s HIS 279 Cb -0.32 -1.61 0.63 0.00 1.11 0.00 0.00 32.58 32.39 2qub s HIS 279 CO 0.42 0.41 1.91 1.79 -0.85 0.00 0.00 174.74 178.42 2qub h THR 280 N 3.58 1.18 -0.01 1.30 1.35 -2.02 -2.47 112.91 115.82 2qub h THR 280 Ca -0.48 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2qub h THR 280 Cb 1.17 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2qub h THR 280 CO 0.55 0.24 -0.08 -1.54 -0.25 0.00 0.00 175.52 174.44 2qub n SER 281 N -4.32 0.68 -4.69 5.36 3.41 -1.26 -4.96 113.62 107.85 2qub n SER 281 Ca 0.02 -0.89 -0.30 0.00 -0.26 0.00 0.00 58.87 57.44 2qub n SER 281 Cb 0.20 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.29 3.29 -0.61 7.33 0.00 -0.93 -0.52 121.76 128.03 2qub s ALA 282 Ca 0.34 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 2qub s ALA 282 Cb 0.21 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 22.18 2qub s ALA 282 CO 0.43 0.68 1.15 0.95 0.00 0.00 0.00 175.76 178.97 2qub s THR 283 N -1.36 4.04 -1.40 0.00 -4.23 -0.70 -4.78 115.64 107.22 2qub s THR 283 Ca 0.26 0.62 0.26 0.00 -1.18 0.00 0.00 61.69 61.65 2qub s THR 283 Cb -0.11 -4.73 0.16 0.00 1.34 0.00 0.00 72.50 69.16 2qub s THR 283 CO 0.18 -1.41 1.53 0.59 -0.54 0.00 0.00 174.62 174.97 2qub n ASN 284 N 8.41 0.73 -2.20 3.99 3.02 -1.26 -4.44 115.26 123.51 2qub n ASN 284 Ca 0.05 -0.55 -0.01 0.00 -0.03 0.00 0.00 54.58 54.04 2qub n ASN 284 Cb 0.49 0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.86 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 -1.07 1.84 -4.67 6.41 3.02 -1.26 -4.68 115.26 114.85 2qub n ASN 285 Ca 0.09 -2.36 -0.37 0.00 -0.03 0.00 0.00 54.58 51.91 2qub n ASN 285 Cb 0.34 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 39.00 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 -2.79 5.32 -0.18 2.41 1.01 -1.26 -1.63 121.20 124.07 2qub s ILE 286 Ca 0.33 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 2qub s ILE 286 Cb 0.35 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2qub s ILE 286 CO -0.07 0.33 0.10 -0.69 0.00 0.00 0.00 174.94 174.61 2qub s VAL 287 N 1.05 5.10 -0.80 2.92 1.01 0.12 -0.11 120.40 129.70 2qub s VAL 287 Ca 0.11 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2qub s VAL 287 Cb -0.14 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 33.02 2qub s VAL 287 CO 0.05 0.46 1.10 0.21 0.00 0.00 0.00 175.10 176.93 2qub s ASN 288 N 0.25 6.36 -1.15 3.32 3.84 -1.26 -1.38 114.94 124.92 2qub s ASN 288 Ca 0.06 -1.35 -0.19 0.00 0.21 0.00 0.00 52.86 51.59 2qub s ASN 288 Cb -0.12 -2.44 0.09 0.00 -0.55 0.00 0.00 41.25 38.23 2qub s ASN 288 CO -0.01 -1.36 1.52 0.12 -2.79 0.00 0.00 177.10 174.59 2qub s PHE 289 N 3.86 2.85 0.36 0.43 5.36 -0.12 -4.74 117.98 125.99 2qub s PHE 289 Ca 0.30 -1.41 0.02 0.00 -0.96 0.00 0.00 56.93 54.87 2qub s PHE 289 Cb -0.10 -4.62 0.02 0.00 -0.34 0.00 0.00 43.02 37.98 2qub s PHE 289 CO 0.02 -1.75 0.16 0.27 -1.46 0.00 0.00 175.22 172.45 2qub n ASN 290 N 7.93 2.52 0.11 6.13 0.23 -1.26 -0.42 115.26 130.49 2qub n ASN 290 Ca 0.39 -2.39 0.04 0.00 -0.53 0.00 0.00 54.58 52.09 2qub n ASN 290 Cb 0.48 0.09 0.44 0.00 -2.08 0.00 0.00 39.78 38.70 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 0.61 0.26 0.00 0.53 5.19 -1.92 -1.23 116.42 119.86 2qub h ASP 291 Ca -0.26 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.12 2qub h ASP 291 Cb 0.87 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.31 2qub h ASP 291 CO 0.42 0.32 -0.00 -0.74 -3.12 0.00 0.00 179.24 176.11 2qub h HIS 292 N 0.28 -0.00 -0.95 4.55 2.76 -1.94 -2.94 115.15 116.91 2qub h HIS 292 Ca 0.07 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 2qub h HIS 292 Cb 0.20 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 2qub h HIS 292 CO 0.00 0.46 0.62 -0.92 -1.30 0.00 0.00 177.93 176.80 2qub h TYR 293 N -0.47 1.17 0.00 5.26 3.20 -1.77 -2.45 116.97 121.91 2qub h TYR 293 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2qub h TYR 293 Cb 0.47 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 2qub h TYR 293 CO 0.09 0.70 -0.12 0.00 -1.64 0.00 0.00 178.16 177.19 2qub h ALA 294 N 1.43 1.06 -2.28 1.82 0.00 -1.26 -3.44 119.26 116.59 2qub h ALA 294 Ca 0.36 -0.11 -0.63 0.00 0.00 0.00 0.00 54.91 54.53 2qub h ALA 294 Cb -0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.58 2qub h ALA 294 CO -0.10 0.15 0.19 0.45 0.00 0.00 0.00 179.25 179.95 2qub s SER 295 N -5.97 6.44 0.28 0.00 0.15 -0.92 -4.93 113.70 108.74 2qub s SER 295 Ca -0.00 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.79 2qub s SER 295 Cb 0.10 -2.34 0.46 0.00 -1.71 0.00 0.00 66.02 62.53 2qub s SER 295 CO 0.59 -0.64 1.88 0.44 1.20 0.00 0.00 173.24 176.70 2qub h ASP 296 N 8.50 1.00 -0.32 5.45 3.32 -1.86 -2.74 116.42 129.77 2qub h ASP 296 Ca -0.26 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 2qub h ASP 296 Cb 1.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2qub h ASP 296 CO 0.86 0.62 0.12 0.00 -1.72 0.00 0.00 179.24 179.11 2qub h ALA 297 N 1.48 0.42 -0.45 3.45 0.00 -1.95 -2.33 119.26 119.87 2qub h ALA 297 Ca 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qub h ALA 297 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2qub h ALA 297 CO -0.19 0.03 0.30 -1.49 0.00 0.00 0.00 179.25 177.90 2qub h TRP 298 N 0.36 0.57 -0.30 0.00 4.06 -1.85 -2.66 115.95 116.14 2qub h TRP 298 Ca 0.11 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.07 2qub h TRP 298 Cb 0.21 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 2qub h TRP 298 CO -0.00 0.37 0.00 0.09 -3.56 0.00 0.00 178.44 175.34 2qub n ASN 299 N -4.46 1.78 0.26 -3.49 3.02 -0.91 -2.90 115.26 108.57 2qub n ASN 299 Ca 0.04 -2.04 0.15 0.00 -0.03 0.00 0.00 54.58 52.69 2qub n ASN 299 Cb 0.06 -0.25 0.65 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.77 0.00 -9.75 3.41 3.38 -1.12 -3.42 115.31 109.57 2qub h LEU 300 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2qub h LEU 300 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2qub h LEU 300 CO 0.02 0.09 0.23 -0.76 0.09 0.00 0.00 178.44 178.11 2qub s LEU 301 N -6.50 4.58 0.32 1.67 1.43 -1.14 -5.03 118.68 114.00 2qub s LEU 301 Ca 0.00 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 2qub s LEU 301 Cb 0.10 -3.45 -0.11 0.00 0.03 0.00 0.00 46.19 42.77 2qub s LEU 301 CO 0.57 0.17 1.50 -2.84 0.23 0.00 0.00 176.35 175.98 2qub s PRO 302 N -1.27 4.17 0.05 1.29 0.02 -1.26 -4.95 135.00 133.05 2qub s PRO 302 Ca 0.39 2.48 -0.31 0.00 0.02 0.00 0.00 61.00 63.58 2qub s PRO 302 Cb -0.23 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.19 2qub s PRO 302 CO 0.27 -0.51 1.44 0.12 -0.33 0.00 0.00 177.00 177.99 2qub s PHE 303 N -0.50 2.91 -0.17 6.54 5.36 -1.26 -4.83 117.98 126.04 2qub s PHE 303 Ca 0.57 0.78 -0.29 0.00 -0.96 0.00 0.00 56.93 57.03 2qub s PHE 303 Cb -0.45 -3.72 0.12 0.00 -0.34 0.00 0.00 43.02 38.62 2qub s PHE 303 CO 0.53 -2.66 0.95 0.45 -1.46 0.00 0.00 175.22 173.02 2qub s SER 304 N 1.71 -0.44 0.49 6.13 0.15 -1.26 -4.01 113.70 116.48 2qub s SER 304 Ca 0.66 0.56 0.33 0.00 0.70 0.00 0.00 55.95 58.20 2qub s SER 304 Cb -0.35 0.47 1.69 0.00 -1.71 0.00 0.00 66.02 66.12 2qub s SER 304 CO 0.29 -0.34 2.01 -0.29 1.20 0.00 0.00 173.24 176.11 2qub h ILE 305 N 2.85 0.00 -0.00 6.45 2.10 -1.82 -1.22 117.51 125.88 2qub h ILE 305 Ca -0.22 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.59 2qub h ILE 305 Cb 1.16 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 2qub h ILE 305 CO 0.28 0.00 -0.23 0.18 -1.08 0.00 0.00 178.15 177.30 2qub n LEU 306 N -2.74 0.27 -4.37 2.19 4.77 -1.26 -4.63 117.00 111.22 2qub n LEU 306 Ca -0.01 0.23 -0.45 0.00 -0.03 0.00 0.00 56.01 55.75 2qub n LEU 306 Cb 0.13 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2qub n LEU 306 CO 0.18 0.06 0.47 0.21 -1.33 0.00 0.00 177.39 176.99 2qub s ASN 307 N -2.94 6.33 0.23 -1.43 3.84 -0.46 -4.97 114.94 115.53 2qub s ASN 307 Ca 0.14 -1.72 -0.07 0.00 0.21 0.00 0.00 52.86 51.43 2qub s ASN 307 Cb 0.18 -2.30 0.33 0.00 -0.55 0.00 0.00 41.25 38.92 2qub s ASN 307 CO 0.60 -1.02 1.80 0.40 -2.79 0.00 0.00 177.10 176.09 2qub h ILE 308 N 5.74 0.92 -1.07 -5.21 1.08 -1.83 -1.26 117.51 115.88 2qub h ILE 308 Ca -0.18 -0.24 0.30 0.00 -0.39 0.00 0.00 64.86 64.35 2qub h ILE 308 Cb 1.07 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 2qub h ILE 308 CO 1.05 0.13 0.75 -0.65 -0.69 0.00 0.00 178.15 178.74 2qub h PRO 309 N 0.71 0.08 0.00 2.37 0.11 -1.94 -0.23 132.00 133.10 2qub h PRO 309 Ca 0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2qub h PRO 309 Cb 0.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2qub h PRO 309 CO -0.23 0.05 0.00 1.79 -0.21 0.00 0.00 178.00 179.40 2qub h THR 310 N 0.08 0.00 0.00 -1.15 1.35 -1.53 -2.61 112.91 109.05 2qub h THR 310 Ca 0.53 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 2qub h THR 310 Cb 1.95 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2qub h THR 310 CO -0.06 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 176.00 2qub n TRP 311 N -2.55 0.33 -0.30 4.73 7.02 -0.10 -2.99 117.44 123.58 2qub n TRP 311 Ca 0.01 0.13 0.13 0.00 -1.02 0.00 0.00 57.50 56.75 2qub n TRP 311 Cb 0.21 -0.71 0.29 0.00 -2.42 0.00 0.00 31.31 28.68 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 0.10 0.00 -0.99 5.85 -1.64 -0.69 115.31 117.94 2qub h LEU 312 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2qub h LEU 312 Cb 0.28 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2qub h LEU 312 CO 0.00 -0.11 0.00 -1.20 -0.34 0.00 0.00 178.44 176.79 2qub n SER 313 N -5.17 0.00 0.05 1.25 7.64 -1.16 -2.71 113.62 113.52 2qub n SER 313 Ca 0.21 0.47 0.12 0.00 1.01 0.00 0.00 58.87 60.68 2qub n SER 313 Cb 0.67 -0.49 0.10 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.49 0.50 -1.87 1.43 -0.00 -0.26 -4.70 115.22 108.83 2qub n HIS 314 Ca 0.04 0.15 -0.41 0.00 -0.00 0.00 0.00 57.72 57.49 2qub n HIS 314 Cb 0.17 -0.62 -0.01 0.00 -0.00 0.00 0.00 29.99 29.54 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 -4.25 4.35 0.46 0.27 1.43 -1.10 -4.89 118.68 114.95 2qub s LEU 315 Ca 0.05 2.93 0.16 0.00 -1.03 0.00 0.00 54.13 56.23 2qub s LEU 315 Cb 0.13 -3.65 1.11 0.00 0.03 0.00 0.00 46.19 43.81 2qub s LEU 315 CO 0.75 -0.81 2.00 -0.65 0.23 0.00 0.00 176.35 177.88 2qub h PRO 316 N 3.70 0.29 0.00 1.29 0.11 -1.94 -2.00 132.00 133.45 2qub h PRO 316 Ca -0.49 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2qub h PRO 316 Cb 1.23 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2qub h PRO 316 CO 0.69 0.19 -0.33 0.27 -0.21 0.00 0.00 178.00 178.61 2qub h PHE 317 N 0.30 0.00 -0.23 0.65 -5.15 -1.92 -0.85 116.94 109.74 2qub h PHE 317 Ca 0.24 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.88 2qub h PHE 317 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.70 2qub h PHE 317 CO -0.00 0.33 -0.38 0.74 -2.00 0.00 0.00 178.31 177.00 2qub h PHE 318 N 0.00 0.60 0.15 6.09 0.04 -1.73 -1.61 116.94 120.49 2qub h PHE 318 Ca -0.00 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 2qub h PHE 318 Cb 0.59 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2qub h PHE 318 CO 0.00 0.82 -0.07 1.88 -0.60 0.00 0.00 178.31 180.33 2qub h TYR 319 N 0.43 -0.19 0.50 -0.55 -1.99 -1.35 -1.66 116.97 112.15 2qub h TYR 319 Ca 0.04 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 2qub h TYR 319 Cb 0.85 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 2qub h TYR 319 CO 0.03 0.12 -0.31 0.37 -0.00 0.00 0.00 178.16 178.37 2qub h GLN 320 N -0.51 -0.74 -0.07 4.88 -0.00 -1.16 -1.98 115.11 115.52 2qub h GLN 320 Ca -0.02 0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.64 2qub h GLN 320 Cb 0.40 0.17 -0.00 0.00 0.00 0.00 0.00 27.48 28.05 2qub h GLN 320 CO 0.03 -0.50 -0.10 0.22 0.00 0.00 0.00 178.83 178.49 2qub h ASP 321 N -0.77 0.22 -0.17 -0.69 3.58 -1.40 -2.83 116.42 114.36 2qub h ASP 321 Ca -0.06 -0.52 -0.03 0.00 0.42 0.00 0.00 57.03 56.85 2qub h ASP 321 Cb 0.64 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2qub h ASP 321 CO 0.05 0.70 0.00 1.23 -2.88 0.00 0.00 179.24 178.34 2qub h GLY 322 N -0.25 0.33 2.00 -0.78 0.00 -1.38 -2.92 103.07 100.07 2qub h GLY 322 Ca 0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 2qub h GLY 322 CO 0.02 0.22 -0.56 1.41 0.00 0.00 0.00 176.54 177.64 2qub h LEU 323 N 0.06 0.00 -1.08 3.11 3.38 -1.47 -2.34 115.31 116.97 2qub h LEU 323 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2qub h LEU 323 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2qub h LEU 323 CO 0.01 0.56 -0.22 0.24 0.09 0.00 0.00 178.44 179.12 2qub h MET 324 N 0.00 0.39 -0.28 1.13 2.86 -1.53 -1.01 114.93 116.49 2qub h MET 324 Ca -0.01 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 2qub h MET 324 Cb 1.10 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 2qub h MET 324 CO 0.07 0.59 -0.22 0.00 1.06 0.00 0.00 176.91 178.42 2qub h ARG 325 N 0.35 0.52 0.01 1.72 3.08 -1.23 -0.07 114.38 118.76 2qub h ARG 325 Ca 0.06 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2qub h ARG 325 Cb 0.58 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2qub h ARG 325 CO 0.04 0.71 -0.01 0.28 -1.07 0.00 0.00 179.97 179.92 2qub h VAL 326 N 0.47 1.13 -0.82 2.04 2.07 -1.16 -1.94 116.25 118.05 2qub h VAL 326 Ca 0.07 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2qub h VAL 326 Cb 0.63 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2qub h VAL 326 CO 0.05 0.11 0.50 0.25 0.02 0.00 0.00 177.57 178.49 2qub h LEU 327 N -0.21 0.77 -0.97 2.57 5.85 -0.98 -2.14 115.31 120.21 2qub h LEU 327 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2qub h LEU 327 Cb 0.20 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2qub h LEU 327 CO 0.00 0.48 0.00 0.59 -0.34 0.00 0.00 178.44 179.18 2qub n ASN 328 N -4.67 1.45 -4.77 1.25 5.03 -0.06 -4.85 115.26 108.64 2qub n ASN 328 Ca 0.12 -1.71 -0.40 0.00 0.87 0.00 0.00 54.58 53.46 2qub n ASN 328 Cb 0.19 -0.10 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 -1.49 6.24 0.63 6.41 0.15 -0.74 -4.88 113.70 120.01 2qub s SER 329 Ca 0.30 2.83 0.34 0.00 0.70 0.00 0.00 55.95 60.13 2qub s SER 329 Cb 0.16 -2.65 1.94 0.00 -1.71 0.00 0.00 66.02 63.76 2qub s SER 329 CO 0.24 -0.92 2.20 -0.08 1.20 0.00 0.00 173.24 175.87 2qub h GLU 330 N 2.72 0.00 -0.55 5.44 4.81 -1.90 -1.82 114.58 123.28 2qub h GLU 330 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2qub h GLU 330 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2qub h GLU 330 CO 0.63 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 180.10 2qub n PHE 331 N -3.45 0.72 -0.30 0.92 3.72 -1.26 -4.66 117.46 113.16 2qub n PHE 331 Ca -0.01 -0.36 0.07 0.00 -0.05 0.00 0.00 57.45 57.09 2qub n PHE 331 Cb 0.20 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.96 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 4.44 0.77 0.00 1.38 3.20 -1.60 -0.94 116.97 124.23 2qub h TYR 332 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2qub h TYR 332 Cb 1.00 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2qub h TYR 332 CO 0.36 0.20 0.00 -1.13 -1.64 0.00 0.00 178.16 175.95 2qub n SER 333 N -4.86 0.00 -0.15 -2.11 3.41 -1.26 -1.30 113.62 107.35 2qub n SER 333 Ca 0.17 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 2qub n SER 333 Cb 0.42 -0.34 0.11 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.34 1.06 -4.90 1.04 4.77 -0.36 -4.67 117.00 112.61 2qub n LEU 334 Ca 0.05 -0.36 -0.28 0.00 -0.03 0.00 0.00 56.01 55.40 2qub n LEU 334 Cb 0.12 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2qub n LEU 334 CO 0.10 0.23 0.38 0.42 -1.33 0.00 0.00 177.39 177.19 2qub s THR 335 N -2.80 4.91 0.23 -5.08 -4.23 -0.42 -4.97 115.64 103.28 2qub s THR 335 Ca 0.14 0.23 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2qub s THR 335 Cb 0.18 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 2qub s THR 335 CO 0.69 -0.65 -0.05 -1.81 -0.54 0.00 0.00 174.62 172.26 2qub s ASP 336 N -3.69 2.16 0.30 3.99 1.01 -1.26 -1.59 116.67 117.58 2qub s ASP 336 Ca 0.47 -1.15 0.02 0.00 0.71 0.00 0.00 52.55 52.60 2qub s ASP 336 Cb -0.10 -0.06 0.75 0.00 1.01 0.00 0.00 42.92 44.52 2qub s ASP 336 CO 0.38 -0.40 1.59 0.50 0.21 0.00 0.00 175.17 177.45 2qub h LYS 337 N 2.48 0.05 -0.46 8.23 3.64 -1.72 -1.42 116.57 127.36 2qub h LYS 337 Ca -0.38 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2qub h LYS 337 Cb 1.22 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2qub h LYS 337 CO 0.65 0.03 0.00 -0.25 -2.27 0.00 0.00 179.45 177.61 2qub n ASP 338 N -5.42 5.04 -4.72 4.20 8.00 -1.26 -4.09 116.55 118.29 2qub n ASP 338 Ca 0.23 -2.95 -0.42 0.00 0.71 0.00 0.00 54.79 52.36 2qub n ASP 338 Cb 0.75 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.22 2.95 -4.64 -2.24 7.64 -0.54 -4.64 113.62 112.37 2qub n SER 339 Ca 0.25 1.17 -0.43 0.00 1.01 0.00 0.00 58.87 60.88 2qub n SER 339 Cb 1.08 -1.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 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 4.28 -0.11 0.44 2.01 -1.25 -4.45 115.64 115.42 2qub s THR 340 Ca 0.57 1.49 -0.00 0.00 0.31 0.00 0.00 61.69 64.06 2qub s THR 340 Cb -0.52 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 67.83 2qub s THR 340 CO 0.61 -0.38 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.44 2qub s ILE 341 N 3.95 1.11 -0.32 1.82 1.01 -0.65 -1.28 121.20 126.84 2qub s ILE 341 Ca 0.53 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.72 2qub s ILE 341 Cb -0.17 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 2qub s ILE 341 CO 0.18 0.38 0.17 -0.63 0.00 0.00 0.00 174.94 175.05 2qub s ILE 342 N 1.56 4.72 -0.27 2.92 -1.09 0.24 0.12 121.20 129.40 2qub s ILE 342 Ca 0.03 -0.43 -0.09 0.00 -2.23 0.00 0.00 60.65 57.93 2qub s ILE 342 Cb -0.13 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 2qub s ILE 342 CO -0.07 0.02 0.11 -0.69 -1.23 0.00 0.00 174.94 173.08 2qub s VAL 343 N 1.63 4.55 -0.13 2.92 1.01 -0.48 -0.85 120.40 129.06 2qub s VAL 343 Ca 0.05 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2qub s VAL 343 Cb -0.17 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2qub s VAL 343 CO 0.07 0.24 1.63 -0.55 0.00 0.00 0.00 175.10 176.49 2qub s SER 344 N 1.64 6.55 -0.29 3.32 0.15 -0.31 -0.94 113.70 123.81 2qub s SER 344 Ca 0.06 1.96 0.19 0.00 0.70 0.00 0.00 55.95 58.85 2qub s SER 344 Cb -0.16 -2.53 0.48 0.00 -1.71 0.00 0.00 66.02 62.10 2qub s SER 344 CO 0.06 -1.07 1.07 0.59 1.20 0.00 0.00 173.24 175.09 2qub n ASN 345 N 7.71 2.10 -4.87 5.45 3.02 0.43 -4.69 115.26 124.41 2qub n ASN 345 Ca 0.18 -2.53 -0.31 0.00 -0.03 0.00 0.00 54.58 51.89 2qub n ASN 345 Cb 0.44 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 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 -3.56 3.54 0.89 3.41 1.43 -1.19 -4.24 118.68 118.97 2qub s LEU 346 Ca 0.31 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 2qub s LEU 346 Cb 0.38 -4.31 0.13 0.00 0.03 0.00 0.00 46.19 42.42 2qub s LEU 346 CO -0.02 -0.64 1.15 -0.94 0.23 0.00 0.00 176.35 176.14 2qub s SER 347 N -3.59 3.71 0.57 2.29 1.04 -1.26 -4.84 113.70 111.61 2qub s SER 347 Ca 0.54 0.89 0.35 0.00 0.48 0.00 0.00 55.95 58.21 2qub s SER 347 Cb -0.10 -1.42 1.60 0.00 0.10 0.00 0.00 66.02 66.20 2qub s SER 347 CO 0.41 -2.42 2.08 0.78 0.98 0.00 0.00 173.24 175.06 2qub h ASN 348 N -1.41 0.00 0.38 7.02 2.35 -1.30 -1.64 115.58 120.98 2qub h ASN 348 Ca -0.49 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.15 2qub h ASN 348 Cb 1.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 2qub h ASN 348 CO 0.62 0.04 -0.47 0.58 -1.65 0.00 0.00 177.43 176.54 2qub h VAL 349 N 0.00 1.34 0.00 2.81 2.07 -1.83 -3.36 116.25 117.28 2qub h VAL 349 Ca -0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2qub h VAL 349 Cb 0.38 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2qub h VAL 349 CO 0.00 0.48 -1.05 0.35 0.02 0.00 0.00 177.57 177.37 2qub n THR 350 N -3.98 0.00 0.17 2.57 -2.24 -1.08 -4.67 114.28 105.06 2qub n THR 350 Ca -0.02 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.65 2qub n THR 350 Cb 0.51 0.50 0.54 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.17 -0.00 -0.78 2.43 -1.45 -1.60 114.38 113.14 2qub h ARG 351 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qub h ARG 351 Cb 0.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2qub h ARG 351 CO 0.00 0.16 -0.06 0.41 -1.51 0.00 0.00 179.97 178.97 2qub n GLY 352 N -1.39 -1.08 0.00 2.80 0.00 -1.26 -4.04 105.19 100.22 2qub n GLY 352 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.08 0.11 -4.04 1.61 0.23 -0.77 -5.03 115.26 106.28 2qub n ASN 353 Ca 0.15 -1.05 -0.27 0.00 -0.53 0.00 0.00 54.58 52.88 2qub n ASN 353 Cb 0.25 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.78 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 -0.05 1.37 -0.00 5.53 2.01 -0.68 -5.11 115.64 118.72 2qub s THR 354 Ca 0.00 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2qub s THR 354 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 2qub s THR 354 CO 0.00 0.41 0.93 0.26 -0.69 0.00 0.00 174.62 175.53 2qub s TRP 355 N 0.88 3.66 -0.27 4.92 0.52 -1.26 -4.54 118.94 122.85 2qub s TRP 355 Ca -0.09 1.62 -0.28 0.00 0.02 0.00 0.00 56.10 57.37 2qub s TRP 355 Cb -0.15 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.12 2qub s TRP 355 CO 0.01 0.03 0.99 0.08 0.02 0.00 0.00 176.95 178.07 2qub s VAL 356 N 0.88 4.67 0.18 4.03 1.01 0.11 -4.90 120.40 126.38 2qub s VAL 356 Ca 0.49 1.78 -0.18 0.00 0.00 0.00 0.00 61.98 64.06 2qub s VAL 356 Cb -0.21 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.92 2qub s VAL 356 CO 0.26 -0.26 0.52 -1.83 0.00 0.00 0.00 175.10 173.79 2qub s GLU 357 N 3.24 1.30 -0.97 2.72 -1.05 -1.26 -1.06 118.70 121.62 2qub s GLU 357 Ca 0.42 -0.76 -0.22 0.00 -0.15 0.00 0.00 54.97 54.25 2qub s GLU 357 Cb -0.14 0.52 0.07 0.00 -0.44 0.00 0.00 34.13 34.14 2qub s GLU 357 CO 0.10 -0.55 1.34 0.34 0.95 0.00 0.00 175.26 177.44 2qub s ASP 358 N -2.84 6.50 0.50 0.83 2.15 -1.26 -4.79 116.67 117.76 2qub s ASP 358 Ca 0.06 -1.52 0.29 0.00 0.43 0.00 0.00 52.55 51.82 2qub s ASP 358 Cb -0.00 -2.52 0.98 0.00 -0.30 0.00 0.00 42.92 41.07 2qub s ASP 358 CO -0.06 -1.42 1.84 -0.07 -0.17 0.00 0.00 175.17 175.29 2qub h LEU 359 N 12.17 0.00 2.50 -1.34 3.38 -1.98 -3.47 115.31 126.56 2qub h LEU 359 Ca 0.14 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.76 2qub h LEU 359 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2qub h LEU 359 CO 1.33 0.03 -0.47 -3.20 0.09 0.00 0.00 178.44 176.22 2qub n ASN 360 N -3.13 -5.15 -4.76 -0.43 4.05 -1.26 -4.93 115.26 99.66 2qub n ASN 360 Ca 0.02 0.01 -0.41 0.00 0.45 0.00 0.00 54.58 54.64 2qub n ASN 360 Cb 0.40 -4.29 -0.03 0.00 1.23 0.00 0.00 39.78 37.08 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 -5.17 4.43 -1.37 1.20 3.52 -1.26 -3.92 118.95 116.38 2qub s ARG 361 Ca 0.06 2.06 -0.05 0.00 -0.13 0.00 0.00 55.73 57.66 2qub s ARG 361 Cb -0.03 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 2qub s ARG 361 CO 0.07 -0.12 0.43 0.09 -0.81 0.00 0.00 175.30 174.96 2qub n ASN 362 N 1.57 -1.09 -3.46 -2.12 5.03 -1.26 -4.94 115.26 108.98 2qub n ASN 362 Ca 0.02 -1.06 -0.13 0.00 0.87 0.00 0.00 54.58 54.28 2qub n ASN 362 Cb 0.43 -2.83 -0.03 0.00 -1.02 0.00 0.00 39.78 36.33 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 -3.92 -1.68 0.73 5.41 0.00 -1.25 -4.87 121.76 116.17 2qub s ALA 363 Ca 0.10 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 2qub s ALA 363 Cb -0.04 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.66 2qub s ALA 363 CO 0.90 -0.64 1.23 -1.21 0.00 0.00 0.00 175.76 176.04 2qub s GLU 364 N -2.94 2.12 0.14 0.00 2.02 -1.26 -4.89 118.70 113.89 2qub s GLU 364 Ca -0.02 1.84 -0.34 0.00 0.02 0.00 0.00 54.97 56.48 2qub s GLU 364 Cb -0.01 -1.82 -0.14 0.00 0.10 0.00 0.00 34.13 32.26 2qub s GLU 364 CO -0.06 -1.87 1.60 2.41 0.02 0.00 0.00 175.26 177.36 2qub n THR 365 N -2.64 0.05 -2.10 3.63 -1.04 -1.26 -4.96 114.28 105.96 2qub n THR 365 Ca 0.14 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.82 2qub n THR 365 Cb 0.50 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 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 1.18 3.12 0.20 -1.42 0.09 -1.26 -5.09 115.29 112.11 2qub s HIS 366 Ca 0.80 1.49 -0.07 0.00 -0.00 0.00 0.00 55.06 57.29 2qub s HIS 366 Cb -0.69 -2.94 -0.02 0.00 -0.00 0.00 0.00 32.58 28.93 2qub s HIS 366 CO 0.39 -0.94 0.27 -1.54 -0.00 0.00 0.00 174.74 172.93 2qub s SER 367 N -2.94 0.06 0.00 1.40 1.04 -1.26 -5.13 113.70 106.87 2qub s SER 367 Ca 0.62 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2qub s SER 367 Cb -0.14 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2qub s SER 367 CO 0.37 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2qub n GLY 368 N -0.28 -2.21 3.76 7.32 0.00 -1.26 -4.61 105.19 107.91 2qub n GLY 368 Ca -0.02 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.50 2.58 -0.11 1.61 0.04 -1.26 -4.79 135.00 132.57 2qub s PRO 369 Ca 0.00 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2qub s PRO 369 Cb 0.00 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2qub s PRO 369 CO 0.00 -1.44 -0.16 0.99 0.04 0.00 0.00 177.00 176.43 2qub s THR 370 N -2.25 2.83 -0.17 1.26 2.01 -0.42 -3.97 115.64 114.93 2qub s THR 370 Ca 0.69 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 2qub s THR 370 Cb -0.23 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 2qub s THR 370 CO 0.43 0.54 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.53 2qub s PHE 371 N 0.14 3.06 -0.17 4.92 0.08 -0.40 -0.30 117.98 125.31 2qub s PHE 371 Ca -0.08 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.67 2qub s PHE 371 Cb -0.15 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2qub s PHE 371 CO 0.05 -0.09 -0.20 0.42 -0.10 0.00 0.00 175.22 175.31 2qub s ILE 372 N 0.59 2.01 -0.29 0.64 1.01 -0.07 -0.59 121.20 124.49 2qub s ILE 372 Ca -0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 2qub s ILE 372 Cb -0.14 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 2qub s ILE 372 CO 0.02 0.53 0.10 -0.63 0.00 0.00 0.00 174.94 174.97 2qub s ILE 373 N 1.19 4.26 0.44 2.92 -1.09 -0.03 -0.98 121.20 127.91 2qub s ILE 373 Ca 0.02 -0.49 -0.07 0.00 -2.23 0.00 0.00 60.65 57.88 2qub s ILE 373 Cb -0.14 -3.14 0.10 0.00 -1.58 0.00 0.00 42.46 37.70 2qub s ILE 373 CO -0.10 0.13 0.54 0.61 -1.23 0.00 0.00 174.94 174.89 2qub n GLY 374 N 4.92 -1.59 3.80 6.18 0.00 0.12 -1.16 105.19 117.46 2qub n GLY 374 Ca -0.15 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.99 4.54 0.00 1.61 1.04 -1.26 -4.70 113.70 111.94 2qub s SER 375 Ca 0.31 -1.12 0.16 0.00 0.48 0.00 0.00 55.95 55.78 2qub s SER 375 Cb -0.01 -0.20 0.94 0.00 0.10 0.00 0.00 66.02 66.85 2qub s SER 375 CO 0.23 -0.72 1.53 0.47 0.98 0.00 0.00 173.24 175.73 2qub n ASP 376 N -1.41 0.00 -2.09 7.02 8.00 -1.26 -4.11 116.55 122.70 2qub n ASP 376 Ca -0.02 -1.30 -0.01 0.00 0.71 0.00 0.00 54.79 54.17 2qub n ASP 376 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.62 1.06 3.56 0.44 0.00 -1.25 -3.56 105.19 106.05 2qub n GLY 377 Ca 0.12 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.13 6.47 0.15 1.61 -0.87 -1.26 -4.27 114.94 115.63 2qub s ASN 378 Ca 0.02 0.05 0.05 0.00 -1.57 0.00 0.00 52.86 51.41 2qub s ASN 378 Cb -0.00 -2.44 -0.04 0.00 -0.02 0.00 0.00 41.25 38.75 2qub s ASN 378 CO 0.01 -1.05 0.10 -1.81 -2.57 0.00 0.00 177.10 171.79 2qub s ASP 379 N 2.29 5.39 -0.25 -1.22 1.01 -1.24 -4.66 116.67 118.00 2qub s ASP 379 Ca 0.36 -0.15 -0.04 0.00 0.71 0.00 0.00 52.55 53.43 2qub s ASP 379 Cb -0.10 -1.38 0.01 0.00 1.01 0.00 0.00 42.92 42.46 2qub s ASP 379 CO 0.25 0.09 -0.02 -0.76 0.21 0.00 0.00 175.17 174.95 2qub s LEU 380 N -2.92 3.26 -0.10 1.23 1.43 -1.26 -1.18 118.68 119.15 2qub s LEU 380 Ca 0.30 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2qub s LEU 380 Cb -0.10 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.38 2qub s LEU 380 CO 0.22 -0.11 -0.16 -0.63 0.23 0.00 0.00 176.35 175.90 2qub s ILE 381 N 1.42 1.54 -0.16 -0.59 1.01 -0.30 -0.71 121.20 123.41 2qub s ILE 381 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2qub s ILE 381 Cb -0.16 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 40.95 2qub s ILE 381 CO -0.02 0.45 -0.12 -0.75 0.00 0.00 0.00 174.94 174.49 2qub s LYS 382 N 0.82 2.16 0.44 2.79 2.20 -0.23 -0.62 119.74 127.30 2qub s LYS 382 Ca -0.10 -0.63 -0.08 0.00 -0.36 0.00 0.00 55.97 54.80 2qub s LYS 382 Cb -0.16 -2.17 -0.05 0.00 -1.51 0.00 0.00 37.83 33.94 2qub s LYS 382 CO 0.01 -0.30 0.77 0.20 -0.36 0.00 0.00 175.35 175.67 2qub s GLY 383 N 1.48 1.72 0.00 5.54 0.00 0.13 -4.38 107.32 111.80 2qub s GLY 383 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2qub s GLY 383 CO -0.10 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.43 2qub n GLY 384 N -1.77 0.85 0.14 0.20 0.00 -1.26 -1.70 105.19 101.65 2qub n GLY 384 Ca 0.01 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.93 116.57 115.01 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 0.67 0.70 3.71 3.86 0.00 -1.26 -2.63 105.19 110.25 2qub n GLY 386 Ca 0.04 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 6.97 0.04 1.61 0.01 -1.26 -4.23 114.94 117.07 2qub s ASN 387 Ca 0.00 1.17 0.04 0.00 -0.71 0.00 0.00 52.86 53.36 2qub s ASN 387 Cb 0.00 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 2qub s ASN 387 CO 0.00 -0.12 -0.13 -1.81 -1.51 0.00 0.00 177.10 173.53 2qub s ASP 388 N 0.81 1.49 -0.27 -1.22 1.01 -1.16 -1.30 116.67 116.03 2qub s ASP 388 Ca 0.37 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 53.19 2qub s ASP 388 Cb -0.18 -0.08 0.07 0.00 1.01 0.00 0.00 42.92 43.75 2qub s ASP 388 CO 0.18 -0.01 -0.05 -0.31 0.21 0.00 0.00 175.17 175.19 2qub s TYR 389 N -0.92 3.05 -0.19 4.23 2.02 0.59 -1.37 117.35 124.76 2qub s TYR 389 Ca -0.00 -2.29 -0.04 0.00 -0.37 0.00 0.00 57.07 54.37 2qub s TYR 389 Cb -0.08 -2.05 -0.02 0.00 -0.40 0.00 0.00 41.96 39.41 2qub s TYR 389 CO 0.01 -0.87 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.58 2qub s LEU 390 N 1.17 3.07 -0.24 -1.29 1.43 -0.09 -0.90 118.68 121.83 2qub s LEU 390 Ca -0.02 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2qub s LEU 390 Cb -0.19 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.32 2qub s LEU 390 CO -0.07 0.08 -0.14 -0.70 0.23 0.00 0.00 176.35 175.75 2qub s GLU 391 N 0.90 2.46 0.14 1.70 2.12 -0.15 -0.93 118.70 124.94 2qub s GLU 391 Ca -0.00 -1.19 0.03 0.00 0.36 0.00 0.00 54.97 54.17 2qub s GLU 391 Cb -0.15 -2.79 -0.10 0.00 0.26 0.00 0.00 34.13 31.35 2qub s GLU 391 CO 0.01 -0.46 1.32 0.78 -0.54 0.00 0.00 175.26 176.37 2qub h GLY 392 N 7.82 0.15 0.00 -1.50 0.00 -1.34 0.35 103.07 108.56 2qub h GLY 392 Ca -0.27 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2qub h GLY 392 CO 0.51 0.28 0.00 0.54 0.00 0.00 0.00 176.54 177.88 2qub n ARG 393 N -3.55 0.00 -0.90 4.80 1.74 -1.26 -4.08 116.66 113.41 2qub n ARG 393 Ca -0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2qub n ARG 393 Cb 0.88 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.52 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 2.09 0.00 0.55 1.11 -1.26 -3.78 116.67 111.38 2qub s ASP 394 Ca 0.00 1.41 0.00 0.00 0.18 0.00 0.00 52.55 54.14 2qub s ASP 394 Cb 0.00 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.87 2qub s ASP 394 CO 0.00 -3.50 0.00 0.61 1.18 0.00 0.00 175.17 173.46 2qub n GLY 395 N -0.28 -0.47 3.53 0.21 0.00 -1.23 -3.95 105.19 103.00 2qub n GLY 395 Ca 0.05 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.53 6.37 0.12 1.61 1.01 -1.26 -4.27 116.67 117.72 2qub s ASP 396 Ca 0.00 -0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.06 2qub s ASP 396 Cb 0.00 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2qub s ASP 396 CO 0.00 -1.13 0.02 -1.81 0.21 0.00 0.00 175.17 172.46 2qub s ASP 397 N 2.62 5.05 -0.09 0.27 1.01 -1.23 -3.64 116.67 120.67 2qub s ASP 397 Ca 0.31 -0.21 0.03 0.00 0.71 0.00 0.00 52.55 53.38 2qub s ASP 397 Cb -0.12 -1.20 0.01 0.00 1.01 0.00 0.00 42.92 42.62 2qub s ASP 397 CO 0.21 0.14 -0.17 -0.63 0.21 0.00 0.00 175.17 174.93 2qub s ILE 398 N -1.46 1.54 -0.00 0.77 1.01 -0.32 -1.05 121.20 121.68 2qub s ILE 398 Ca 0.27 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.26 2qub s ILE 398 Cb -0.11 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2qub s ILE 398 CO 0.19 0.45 -0.13 -0.36 0.00 0.00 0.00 174.94 175.08 2qub s PHE 399 N 0.60 2.71 0.15 3.97 0.08 0.02 -1.15 117.98 124.36 2qub s PHE 399 Ca -0.15 -0.16 0.07 0.00 0.12 0.00 0.00 56.93 56.81 2qub s PHE 399 Cb -0.16 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2qub s PHE 399 CO 0.05 0.26 -0.15 1.03 -0.10 0.00 0.00 175.22 176.31 2qub s ARG 400 N -1.18 1.13 -0.20 0.44 0.52 0.21 -0.69 118.95 119.19 2qub s ARG 400 Ca 0.14 -1.35 -0.17 0.00 -0.52 0.00 0.00 55.73 53.83 2qub s ARG 400 Cb -0.11 -1.02 0.05 0.00 0.52 0.00 0.00 34.95 34.40 2qub s ARG 400 CO 0.04 0.19 0.52 0.34 0.02 0.00 0.00 175.30 176.42 2qub s ASP 401 N -2.69 -0.57 0.00 0.23 2.15 -1.26 -0.69 116.67 113.83 2qub s ASP 401 Ca 0.13 1.07 0.26 0.00 0.43 0.00 0.00 52.55 54.44 2qub s ASP 401 Cb -0.04 1.06 0.62 0.00 -0.30 0.00 0.00 42.92 44.25 2qub s ASP 401 CO 0.04 -0.19 1.48 0.00 -0.17 0.00 0.00 175.17 176.34 2qub n ALA 402 N 3.09 3.35 0.00 3.66 0.00 -0.69 -4.94 120.51 124.98 2qub n ALA 402 Ca -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2qub n ALA 402 Cb 0.56 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 1.43 -1.36 7.00 0.00 0.00 -1.11 -4.59 105.19 106.56 2qub n GLY 403 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.30 -0.78 3.28 -0.02 0.00 -1.08 -4.29 105.19 102.00 2qub n GLY 404 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 2.81 0.02 1.61 2.02 -1.26 -2.96 117.35 119.59 2qub s TYR 405 Ca 0.00 -0.99 -0.00 0.00 -0.37 0.00 0.00 57.07 55.71 2qub s TYR 405 Cb 0.00 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2qub s TYR 405 CO 0.00 -0.46 -0.03 -0.80 -1.57 0.00 0.00 175.55 172.70 2qub s ASN 406 N 0.85 0.21 -0.09 2.29 0.01 -0.62 -2.97 114.94 114.62 2qub s ASN 406 Ca -0.04 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 2qub s ASN 406 Cb -0.15 0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.59 2qub s ASN 406 CO -0.00 -0.27 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.35 2qub s LEU 407 N -1.30 2.25 -0.10 0.60 1.43 -0.47 -1.45 118.68 119.64 2qub s LEU 407 Ca -0.14 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2qub s LEU 407 Cb -0.09 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.70 2qub s LEU 407 CO -0.01 0.20 -0.14 -0.63 0.23 0.00 0.00 176.35 176.01 2qub s ILE 408 N 0.08 1.35 -0.35 -0.59 1.01 0.14 -0.92 121.20 121.93 2qub s ILE 408 Ca -0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 2qub s ILE 408 Cb -0.16 -1.25 0.09 0.00 0.01 0.00 0.00 42.46 41.15 2qub s ILE 408 CO 0.06 0.41 0.10 0.00 0.00 0.00 0.00 174.94 175.51 2qub s ALA 409 N 1.00 2.97 0.36 9.38 0.00 -0.11 -0.66 121.76 134.71 2qub s ALA 409 Ca -0.07 -2.25 0.25 0.00 0.00 0.00 0.00 51.96 49.89 2qub s ALA 409 Cb -0.15 -2.14 1.28 0.00 0.00 0.00 0.00 23.12 22.11 2qub s ALA 409 CO -0.01 -1.58 2.01 0.78 0.00 0.00 0.00 175.76 176.95 2qub h GLY 410 N 7.94 0.00 0.00 0.00 0.00 -1.36 -0.79 103.07 108.86 2qub h GLY 410 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2qub h GLY 410 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2qub n GLY 411 N -0.53 -0.29 3.56 4.60 0.00 -1.26 -4.01 105.19 107.25 2qub n GLY 411 Ca -0.01 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.23 0.00 1.61 1.02 -1.25 -4.86 119.74 116.03 2qub s LYS 412 Ca 0.00 1.03 0.00 0.00 0.02 0.00 0.00 55.97 57.02 2qub s LYS 412 Cb 0.00 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 2qub s LYS 412 CO 0.00 -3.32 0.00 0.41 -0.92 0.00 0.00 175.35 171.52 2qub n GLY 413 N 0.47 0.17 3.45 -3.33 0.00 -1.26 -3.91 105.19 100.79 2qub n GLY 413 Ca 0.06 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.14 2.96 0.04 1.61 2.46 -1.26 -4.94 115.29 115.02 2qub s HIS 414 Ca 0.00 -0.51 0.03 0.00 0.47 0.00 0.00 55.06 55.05 2qub s HIS 414 Cb 0.00 -3.77 -0.04 0.00 -0.13 0.00 0.00 32.58 28.64 2qub s HIS 414 CO 0.00 -1.18 -0.02 -0.80 -2.47 0.00 0.00 174.74 170.27 2qub s ASN 415 N 2.94 4.95 -0.05 9.88 0.01 -1.26 -3.57 114.94 127.85 2qub s ASN 415 Ca 0.18 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 52.25 2qub s ASN 415 Cb -0.19 -1.21 -0.00 0.00 0.41 0.00 0.00 41.25 40.26 2qub s ASN 415 CO 0.12 0.24 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.15 2qub s ILE 416 N -1.16 1.38 -0.20 0.60 1.01 -0.22 -1.30 121.20 121.31 2qub s ILE 416 Ca 0.21 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 2qub s ILE 416 Cb -0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2qub s ILE 416 CO 0.13 0.40 0.04 0.12 0.00 0.00 0.00 174.94 175.63 2qub s PHE 417 N 0.13 3.12 -0.32 3.97 5.36 -0.68 -0.80 117.98 128.77 2qub s PHE 417 Ca -0.06 -0.23 -0.06 0.00 -0.96 0.00 0.00 56.93 55.62 2qub s PHE 417 Cb -0.12 -2.12 0.03 0.00 -0.34 0.00 0.00 43.02 40.47 2qub s PHE 417 CO 0.03 -0.12 0.07 0.34 -1.46 0.00 0.00 175.22 174.08 2qub s ASP 418 N 0.91 5.15 0.46 6.13 2.15 0.14 -0.42 116.67 131.18 2qub s ASP 418 Ca 0.03 -1.01 0.26 0.00 0.43 0.00 0.00 52.55 52.25 2qub s ASP 418 Cb -0.14 -1.84 0.65 0.00 -0.30 0.00 0.00 42.92 41.29 2qub s ASP 418 CO 0.02 -0.27 1.72 0.71 -0.17 0.00 0.00 175.17 177.19 2qub h THR 419 N 6.11 0.00 -0.34 1.71 1.35 -1.35 -3.41 112.91 116.99 2qub h THR 419 Ca -0.26 -0.83 -0.14 0.00 -0.55 0.00 0.00 66.41 64.62 2qub h THR 419 Cb 1.09 1.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.29 2qub h THR 419 CO 0.59 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 175.73 2qub n GLN 420 N -3.05 -1.44 -3.93 4.72 6.02 -1.26 -4.95 117.38 113.49 2qub n GLN 420 Ca 0.03 0.69 -0.11 0.00 -0.01 0.00 0.00 57.00 57.61 2qub n GLN 420 Cb 0.46 -4.91 -0.01 0.00 1.02 0.00 0.00 30.24 26.80 2qub n GLN 420 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2qub s GLN 421 N -2.38 2.04 0.30 -1.09 -2.07 -1.26 -4.70 119.66 110.51 2qub s GLN 421 Ca 0.00 -1.52 -0.30 0.00 -1.82 0.00 0.00 55.36 51.73 2qub s GLN 421 Cb 0.00 0.55 -0.12 0.00 -1.09 0.00 0.00 33.01 32.34 2qub s GLN 421 CO 0.00 -0.91 1.40 0.00 -1.32 0.00 0.00 175.29 174.46 2qub n ALA 422 N -0.53 1.54 0.00 2.60 0.00 -0.64 -1.75 120.51 121.73 2qub n ALA 422 Ca -0.04 0.38 0.05 0.00 0.00 0.00 0.00 53.44 53.83 2qub n ALA 422 Cb 0.61 -2.31 0.45 0.00 0.00 0.00 0.00 19.45 18.19 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 3.61 0.43 -1.79 0.00 5.85 -1.94 -1.91 115.31 119.56 2qub h LEU 423 Ca -0.46 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2qub h LEU 423 Cb 1.27 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2qub h LEU 423 CO 0.71 0.31 0.07 0.07 -0.34 0.00 0.00 178.44 179.25 2qub h LYS 424 N 0.51 0.00 -0.01 1.25 2.10 -1.98 -1.41 116.57 117.03 2qub h LYS 424 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2qub h LYS 424 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2qub h LYS 424 CO -0.04 0.00 -0.19 0.09 -2.00 0.00 0.00 179.45 177.31 2qub n ASN 425 N -2.48 0.78 -4.18 7.07 3.02 -0.72 -4.83 115.26 113.92 2qub n ASN 425 Ca -0.02 -0.74 -0.28 0.00 -0.03 0.00 0.00 54.58 53.51 2qub n ASN 425 Cb 0.11 0.04 -0.16 0.00 -0.61 0.00 0.00 39.78 39.16 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 -2.50 1.65 -0.10 3.41 2.01 -0.53 -3.99 115.64 115.60 2qub s THR 426 Ca 0.26 -0.84 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 2qub s THR 426 Cb 0.20 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 2qub s THR 426 CO 0.50 0.47 0.71 -1.61 -0.69 0.00 0.00 174.62 174.00 2qub s GLU 427 N 0.02 4.38 -0.09 4.92 2.02 -0.47 -4.93 118.70 124.54 2qub s GLU 427 Ca -0.05 0.85 0.02 0.00 0.02 0.00 0.00 54.97 55.82 2qub s GLU 427 Cb -0.13 -3.49 0.01 0.00 0.10 0.00 0.00 34.13 30.63 2qub s GLU 427 CO 0.03 -0.04 -0.16 0.08 0.02 0.00 0.00 175.26 175.19 2qub s VAL 428 N 1.18 1.50 0.23 2.63 1.01 -1.26 -1.46 120.40 124.24 2qub s VAL 428 Ca 0.36 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2qub s VAL 428 Cb -0.17 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2qub s VAL 428 CO 0.16 0.44 0.17 0.00 0.00 0.00 0.00 175.10 175.87 2qub s ALA 429 N 0.76 1.34 -0.17 5.51 0.00 -0.44 -4.56 121.76 124.22 2qub s ALA 429 Ca -0.11 -1.80 -0.09 0.00 0.00 0.00 0.00 51.96 49.96 2qub s ALA 429 Cb -0.16 1.41 0.06 0.00 0.00 0.00 0.00 23.12 24.43 2qub s ALA 429 CO 0.02 -0.61 0.40 -0.47 0.00 0.00 0.00 175.76 175.10 2qub s TYR 430 N -3.98 -0.58 -2.45 0.00 5.04 -1.26 -0.55 117.35 113.57 2qub s TYR 430 Ca 0.39 1.25 0.23 0.00 -2.44 0.00 0.00 57.07 56.50 2qub s TYR 430 Cb 0.06 0.25 0.63 0.00 0.35 0.00 0.00 41.96 43.24 2qub s TYR 430 CO 0.16 -0.33 1.50 -0.40 -1.34 0.00 0.00 175.55 175.13 2qub n ASP 431 N 4.24 2.33 0.00 4.32 5.68 -0.74 -4.89 116.55 127.49 2qub n ASP 431 Ca -0.23 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 2qub n ASP 431 Cb 0.55 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 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 1.27 2.10 0.76 6.12 0.00 -1.26 -4.80 105.19 109.38 2qub n GLY 432 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.19 -4.55 1.61 4.05 -1.26 -4.96 115.26 110.33 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 -1.44 4.06 -0.05 -0.44 2.01 -1.26 -4.00 115.64 114.52 2qub s THR 434 Ca 0.00 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.50 2qub s THR 434 Cb 0.00 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 2qub s THR 434 CO 0.00 0.52 0.55 -0.22 -0.69 0.00 0.00 174.62 174.78 2qub s LEU 435 N 0.05 4.36 -0.16 4.42 2.96 0.18 -1.79 118.68 128.70 2qub s LEU 435 Ca 0.01 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.93 2qub s LEU 435 Cb -0.13 -2.84 -0.02 0.00 0.50 0.00 0.00 46.19 43.71 2qub s LEU 435 CO 0.02 0.06 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.73 2qub s TYR 436 N 0.12 2.92 -0.09 5.38 2.02 0.29 -0.91 117.35 127.09 2qub s TYR 436 Ca 0.29 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2qub s TYR 436 Cb -0.17 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2qub s TYR 436 CO 0.15 -0.25 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.24 2qub s LEU 437 N 0.69 1.58 -0.16 -1.29 1.43 -0.21 -1.32 118.68 119.39 2qub s LEU 437 Ca -0.04 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2qub s LEU 437 Cb -0.15 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.14 2qub s LEU 437 CO 0.02 -0.00 -0.16 -0.60 0.23 0.00 0.00 176.35 175.84 2qub s ARG 438 N 1.00 3.16 0.91 1.70 3.52 -0.54 -0.53 118.95 128.18 2qub s ARG 438 Ca -0.08 -0.77 -0.13 0.00 -0.13 0.00 0.00 55.73 54.63 2qub s ARG 438 Cb -0.15 -2.62 0.18 0.00 -1.56 0.00 0.00 34.95 30.81 2qub s ARG 438 CO -0.01 -0.04 1.26 0.16 -0.81 0.00 0.00 175.30 175.85 2qub s ASP 439 N 0.95 3.37 0.31 -2.12 1.47 -0.34 -1.37 116.67 118.94 2qub s ASP 439 Ca -0.03 0.14 0.24 0.00 1.18 0.00 0.00 52.55 54.08 2qub s ASP 439 Cb -0.15 -0.25 1.12 0.00 -0.34 0.00 0.00 42.92 43.30 2qub s ASP 439 CO -0.03 -2.55 1.74 0.00 0.68 0.00 0.00 175.17 175.01 2qub h ALA 440 N -1.41 1.00 -0.13 2.11 0.00 -1.91 -1.68 119.26 117.23 2qub h ALA 440 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qub h ALA 440 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qub h ALA 440 CO 0.39 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.27 2qub n LYS 441 N -2.33 2.36 -0.21 0.00 5.02 -1.26 -4.96 118.16 116.78 2qub n LYS 441 Ca 0.01 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.27 2qub n LYS 441 Cb 0.17 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.38 0.73 3.74 0.72 0.00 -0.63 -5.05 105.19 106.08 2qub n GLY 442 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.52 2.20 -0.09 -0.02 0.00 -1.26 -4.76 107.32 101.88 2qub s GLY 443 Ca 0.00 1.39 0.03 0.00 0.00 0.00 0.00 44.72 46.14 2qub s GLY 443 CO 0.00 2.37 -0.19 -0.42 0.00 0.00 0.00 173.10 174.86 2qub s ILE 444 N 0.10 2.55 -0.08 0.90 1.01 -1.15 -1.20 121.20 123.32 2qub s ILE 444 Ca 0.61 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 60.43 2qub s ILE 444 Cb -0.43 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2qub s ILE 444 CO 0.43 0.56 -0.18 -0.89 0.00 0.00 0.00 174.94 174.86 2qub s THR 445 N 0.01 2.64 -0.16 2.92 2.01 0.31 -1.59 115.64 121.78 2qub s THR 445 Ca -0.07 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 2qub s THR 445 Cb -0.15 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2qub s THR 445 CO 0.05 0.56 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.72 2qub s LEU 446 N -0.11 3.05 -0.07 4.42 1.02 -0.53 -1.05 118.68 125.41 2qub s LEU 446 Ca -0.03 -0.23 -0.00 0.00 0.02 0.00 0.00 54.13 53.89 2qub s LEU 446 Cb -0.14 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.36 2qub s LEU 446 CO 0.04 0.14 -0.03 0.00 0.02 0.00 0.00 176.35 176.51 2qub s ALA 447 N 0.55 0.79 0.02 4.21 0.00 -0.08 -0.68 121.76 126.57 2qub s ALA 447 Ca -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 2qub s ALA 447 Cb -0.15 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2qub s ALA 447 CO 0.03 -0.26 0.20 -0.51 0.00 0.00 0.00 175.76 175.21 2qub s ASP 448 N 1.49 6.37 -1.48 0.00 1.01 0.16 -0.64 116.67 123.58 2qub s ASP 448 Ca -0.02 0.33 -0.07 0.00 0.71 0.00 0.00 52.55 53.51 2qub s ASP 448 Cb -0.13 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.82 2qub s ASP 448 CO -0.03 0.23 0.86 0.47 0.21 0.00 0.00 175.17 176.90 2qub n ASP 449 N 0.71 -6.19 -4.61 0.27 8.00 -1.26 -1.07 116.55 112.41 2qub n ASP 449 Ca -0.09 -0.41 -0.38 0.00 0.71 0.00 0.00 54.79 54.62 2qub n ASP 449 Cb 0.52 -4.94 -0.10 0.00 -0.02 0.00 0.00 41.12 36.58 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 -3.24 5.25 -0.09 0.53 -1.09 -1.26 -4.25 121.20 117.06 2qub s ILE 450 Ca 0.43 0.38 0.15 0.00 -2.23 0.00 0.00 60.65 59.38 2qub s ILE 450 Cb -0.19 -3.61 -0.22 0.00 -1.58 0.00 0.00 42.46 36.85 2qub s ILE 450 CO 0.54 0.23 0.57 -1.20 -1.23 0.00 0.00 174.94 173.84 2qub n SER 451 N 4.99 0.68 -3.85 3.58 7.64 -0.42 -4.76 113.62 121.48 2qub n SER 451 Ca -0.11 0.32 -0.18 0.00 1.01 0.00 0.00 58.87 59.91 2qub n SER 451 Cb 0.51 0.22 -0.16 0.00 -1.01 0.00 0.00 64.21 63.78 2qub n SER 451 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2qub s THR 452 N -2.65 0.28 -0.25 0.44 2.01 -1.15 -1.16 115.64 113.17 2qub s THR 452 Ca -0.05 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 2qub s THR 452 Cb 0.08 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 2qub s THR 452 CO 0.83 0.16 0.10 -0.22 -0.69 0.00 0.00 174.62 174.80 2qub s LEU 453 N 0.91 3.62 -0.16 4.42 2.96 -0.12 -1.69 118.68 128.63 2qub s LEU 453 Ca -0.10 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 2qub s LEU 453 Cb -0.13 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2qub s LEU 453 CO -0.01 -0.02 0.01 -0.60 -1.32 0.00 0.00 176.35 174.41 2qub s ARG 454 N 1.55 3.76 0.43 1.98 3.52 0.44 -0.62 118.95 130.00 2qub s ARG 454 Ca 0.06 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.29 2qub s ARG 454 Cb -0.15 -3.04 -0.07 0.00 -1.56 0.00 0.00 34.95 30.14 2qub s ARG 454 CO 0.05 0.29 0.01 -1.54 -0.81 0.00 0.00 175.30 173.31 2qub s SER 455 N 0.26 3.90 -0.19 -2.12 1.04 -0.33 -0.97 113.70 115.29 2qub s SER 455 Ca 0.00 -1.42 0.01 0.00 0.48 0.00 0.00 55.95 55.02 2qub s SER 455 Cb -0.13 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.80 2qub s SER 455 CO 0.02 -0.53 -0.14 -0.75 0.98 0.00 0.00 173.24 172.82 2qub s LYS 456 N -3.74 2.37 0.36 4.02 2.20 -0.72 -1.27 119.74 122.96 2qub s LYS 456 Ca 0.29 -0.84 0.08 0.00 -0.36 0.00 0.00 55.97 55.15 2qub s LYS 456 Cb 0.08 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.92 2qub s LYS 456 CO 0.15 -0.34 0.19 -1.21 -0.36 0.00 0.00 175.35 173.78 2qub s GLU 457 N 1.35 2.40 0.24 4.03 0.41 -0.10 -1.62 118.70 125.42 2qub s GLU 457 Ca 0.01 -1.57 -0.10 0.00 -0.41 0.00 0.00 54.97 52.90 2qub s GLU 457 Cb -0.15 -2.20 -0.01 0.00 -1.78 0.00 0.00 34.13 29.99 2qub s GLU 457 CO -0.10 0.04 0.41 0.99 -0.49 0.00 0.00 175.26 176.12 2qub s THR 458 N -2.45 0.00 0.39 3.63 2.01 -1.26 -1.81 115.64 116.15 2qub s THR 458 Ca 0.40 -1.52 -0.12 0.00 0.31 0.00 0.00 61.69 60.75 2qub s THR 458 Cb -0.02 -2.27 0.05 0.00 0.01 0.00 0.00 72.50 70.27 2qub s THR 458 CO 0.24 0.00 0.73 -1.54 -0.69 0.00 0.00 174.62 173.36 2qub n SER 459 N -0.38 -2.12 0.32 3.53 3.41 -0.86 -4.98 113.62 112.53 2qub n SER 459 Ca -0.01 -2.69 0.21 0.00 -0.26 0.00 0.00 58.87 56.12 2qub n SER 459 Cb 0.63 3.60 1.04 0.00 -0.26 0.00 0.00 64.21 69.22 2qub n SER 459 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2qub h TRP 460 N 2.01 0.00 0.00 7.33 5.08 -2.02 -3.33 115.95 125.02 2qub h TRP 460 Ca -0.33 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.32 2qub h TRP 460 Cb 1.25 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.36 2qub h TRP 460 CO 0.00 0.01 -2.04 -0.11 -1.28 0.00 0.00 178.44 175.02 2qub n LEU 461 N -3.14 1.73 -4.14 0.11 7.94 -1.26 -4.89 117.00 113.35 2qub n LEU 461 Ca -0.02 0.30 -0.35 0.00 -1.11 0.00 0.00 56.01 54.83 2qub n LEU 461 Cb 0.15 -0.71 -0.13 0.00 0.53 0.00 0.00 43.42 43.25 2qub n LEU 461 CO 0.23 0.33 -0.31 0.27 -1.11 0.00 0.00 177.39 176.80 2qub s ILE 462 N -2.52 2.98 -1.17 1.96 -4.36 -1.25 -4.98 121.20 111.86 2qub s ILE 462 Ca -0.32 -1.66 0.18 0.00 -0.26 0.00 0.00 60.65 58.59 2qub s ILE 462 Cb 0.11 -2.84 0.21 0.00 1.25 0.00 0.00 42.46 41.19 2qub s ILE 462 CO 0.42 -0.30 1.56 0.49 0.24 0.00 0.00 174.94 177.35 2qub n PHE 463 N 4.57 0.00 -3.71 1.37 3.72 -1.26 -2.03 117.46 120.13 2qub n PHE 463 Ca -0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 2qub n PHE 463 Cb 0.43 -0.42 -0.11 0.00 -0.94 0.00 0.00 39.48 38.44 2qub n PHE 463 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2qub s ASN 464 N -2.83 -0.44 -0.22 4.37 0.02 -1.26 -4.68 114.94 109.89 2qub s ASN 464 Ca 0.12 0.79 -0.08 0.00 -1.02 0.00 0.00 52.86 52.67 2qub s ASN 464 Cb 0.12 0.68 0.09 0.00 0.02 0.00 0.00 41.25 42.16 2qub s ASN 464 CO 0.31 -0.18 0.48 -0.75 0.02 0.00 0.00 177.10 176.97 2qub s LYS 465 N 1.24 0.40 0.01 -0.60 2.20 -0.75 -4.98 119.74 117.27 2qub s LYS 465 Ca -0.09 1.09 -0.30 0.00 -0.36 0.00 0.00 55.97 56.31 2qub s LYS 465 Cb -0.08 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 2qub s LYS 465 CO -0.10 -0.22 1.04 -1.21 -0.36 0.00 0.00 175.35 174.50 2qub s GLU 466 N 2.43 4.52 -0.13 4.03 0.41 -1.26 -0.92 118.70 127.77 2qub s GLU 466 Ca -0.04 1.52 0.02 0.00 -0.41 0.00 0.00 54.97 56.06 2qub s GLU 466 Cb -0.11 -3.43 0.01 0.00 -1.78 0.00 0.00 34.13 28.82 2qub s GLU 466 CO -0.14 -0.12 -0.19 0.08 -0.49 0.00 0.00 175.26 174.40 2qub s VAL 467 N 1.07 1.84 -0.11 2.63 1.01 -0.39 -4.97 120.40 121.47 2qub s VAL 467 Ca 0.54 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2qub s VAL 467 Cb -0.23 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2qub s VAL 467 CO 0.28 0.51 0.22 -1.81 0.00 0.00 0.00 175.10 174.29 2qub s ASP 468 N 0.96 6.46 -0.21 3.32 1.01 -1.26 -1.19 116.67 125.76 2qub s ASP 468 Ca -0.05 0.55 0.01 0.00 0.71 0.00 0.00 52.55 53.77 2qub s ASP 468 Cb -0.15 -2.13 0.04 0.00 1.01 0.00 0.00 42.92 41.70 2qub s ASP 468 CO -0.03 0.32 -0.13 -1.00 0.21 0.00 0.00 175.17 174.54 2qub s HIS 469 N -0.64 2.73 0.13 4.23 3.76 0.21 -4.62 115.29 121.08 2qub s HIS 469 Ca 0.16 -1.80 -0.31 0.00 -0.15 0.00 0.00 55.06 52.96 2qub s HIS 469 Cb -0.13 -1.78 -0.08 0.00 1.11 0.00 0.00 32.58 31.70 2qub s HIS 469 CO 0.05 -0.79 1.42 -1.14 -0.85 0.00 0.00 174.74 173.43 2qub s GLN 470 N 1.29 4.30 -0.42 1.40 0.74 0.12 -0.94 119.66 126.15 2qub s GLN 470 Ca -0.02 2.13 -0.24 0.00 0.05 0.00 0.00 55.36 57.29 2qub s GLN 470 Cb -0.16 -3.22 0.02 0.00 1.10 0.00 0.00 33.01 30.74 2qub s GLN 470 CO -0.08 -0.46 0.82 0.08 -0.55 0.00 0.00 175.29 175.09 2qub s VAL 471 N 1.05 4.64 0.30 1.34 1.01 -0.31 -0.99 120.40 127.44 2qub s VAL 471 Ca 0.65 0.67 0.06 0.00 0.00 0.00 0.00 61.98 63.36 2qub s VAL 471 Cb -0.38 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.63 2qub s VAL 471 CO 0.31 -0.64 -0.02 0.42 0.00 0.00 0.00 175.10 175.17 2qub s THR 472 N 3.32 1.51 0.41 3.92 -4.23 -0.87 -4.92 115.64 114.78 2qub s THR 472 Ca 0.32 -2.08 0.11 0.00 -1.18 0.00 0.00 61.69 58.86 2qub s THR 472 Cb -0.12 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.47 2qub s THR 472 CO 0.21 -0.21 1.98 0.00 -0.54 0.00 0.00 174.62 176.06 2qub h ALA 473 N 2.22 1.89 -0.01 3.99 0.00 -1.96 -2.58 119.26 122.81 2qub h ALA 473 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qub h ALA 473 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qub h ALA 473 CO 0.69 -0.01 -0.22 0.00 0.00 0.00 0.00 179.25 179.71 2qub n ALA 474 N -2.49 3.00 0.00 0.00 0.00 -1.26 -4.97 120.51 114.80 2qub n ALA 474 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2qub n ALA 474 Cb 0.30 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.32 0.95 3.71 0.00 0.00 -0.97 -4.21 105.19 105.99 2qub n GLY 475 Ca 0.13 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 4.35 -0.15 0.99 1.43 -0.47 -2.06 118.68 122.77 2qub s LEU 476 Ca 0.00 1.41 -0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2qub s LEU 476 Cb 0.00 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 2qub s LEU 476 CO 0.00 -0.18 -0.13 -0.75 0.23 0.00 0.00 176.35 175.52 2qub s LYS 477 N 0.87 3.33 0.26 1.70 2.20 -0.16 -1.04 119.74 126.91 2qub s LYS 477 Ca 0.44 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 55.38 2qub s LYS 477 Cb -0.19 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 2qub s LYS 477 CO 0.23 0.11 0.29 -1.13 -0.36 0.00 0.00 175.35 174.49 2qub n SER 478 N 3.81 -0.78 0.10 1.43 3.41 -0.71 0.12 113.62 121.00 2qub n SER 478 Ca -0.18 -2.60 0.20 0.00 -0.26 0.00 0.00 58.87 56.03 2qub n SER 478 Cb 0.52 1.61 0.72 0.00 -0.26 0.00 0.00 64.21 66.80 2qub n SER 478 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qub h ASP 479 N 1.56 0.00 1.51 4.04 5.19 -1.99 -1.35 116.42 125.38 2qub h ASP 479 Ca -0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2qub h ASP 479 Cb 0.93 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.44 2qub h ASP 479 CO 0.27 0.00 -0.43 0.77 -3.12 0.00 0.00 179.24 176.74 2qub h SER 480 N 0.00 0.00 0.00 6.45 4.64 -1.97 -3.50 113.55 119.17 2qub h SER 480 Ca 0.19 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2qub h SER 480 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qub h SER 480 CO -0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2qub n GLY 481 N 1.16 0.76 3.44 -0.77 0.00 -0.51 -5.06 105.19 104.21 2qub n GLY 481 Ca 0.02 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 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 3.13 -0.34 0.99 2.96 -1.26 -1.74 118.68 122.43 2qub s LEU 482 Ca 0.00 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 2qub s LEU 482 Cb 0.00 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.98 2qub s LEU 482 CO 0.00 0.11 0.08 -0.75 -1.32 0.00 0.00 176.35 174.47 2qub s LYS 483 N 0.73 2.41 0.71 1.98 2.20 -0.21 -4.96 119.74 122.60 2qub s LYS 483 Ca -0.02 -1.36 -0.15 0.00 -0.36 0.00 0.00 55.97 54.09 2qub s LYS 483 Cb -0.14 -3.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2qub s LYS 483 CO 0.02 -0.73 1.17 0.00 -0.36 0.00 0.00 175.35 175.45 2qub s ALA 484 N 1.28 2.23 0.40 3.13 0.00 -1.26 -1.37 121.76 126.17 2qub s ALA 484 Ca -0.01 0.76 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 2qub s ALA 484 Cb -0.20 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.39 2qub s ALA 484 CO -0.00 -1.68 0.95 0.71 0.00 0.00 0.00 175.76 175.74 2qub s TYR 485 N -2.12 3.40 -1.23 0.00 2.02 -1.26 -4.87 117.35 113.29 2qub s TYR 485 Ca 0.72 1.66 -0.08 0.00 -0.37 0.00 0.00 57.07 58.99 2qub s TYR 485 Cb -0.26 -2.88 0.21 0.00 -0.40 0.00 0.00 41.96 38.62 2qub s TYR 485 CO 0.44 -0.06 1.76 0.00 -1.57 0.00 0.00 175.55 176.12 2qub n ALA 486 N -0.31 5.28 -2.90 3.71 0.00 -1.26 -4.90 120.51 120.12 2qub n ALA 486 Ca 0.06 -4.45 -0.10 0.00 0.00 0.00 0.00 53.44 48.95 2qub n ALA 486 Cb 0.53 -2.81 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 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 -0.44 -0.74 -0.14 0.00 0.00 -1.26 -0.60 121.76 118.57 2qub s ALA 487 Ca 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 2qub s ALA 487 Cb 0.08 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 2qub s ALA 487 CO 0.03 -0.58 -0.08 0.00 0.00 0.00 0.00 175.76 175.13 2qub s ALA 488 N -3.64 2.82 -0.11 0.00 0.00 -0.81 -4.99 121.76 115.04 2qub s ALA 488 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2qub s ALA 488 Cb 0.02 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.79 2qub s ALA 488 CO -0.11 0.26 -0.11 0.99 0.00 0.00 0.00 175.76 176.80 2qub s THR 489 N 0.25 1.24 0.00 0.00 2.01 -1.26 -0.93 115.64 116.96 2qub s THR 489 Ca -0.06 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2qub s THR 489 Cb -0.15 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2qub s THR 489 CO 0.04 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2qub n GLY 490 N 4.60 0.62 0.00 4.40 0.00 0.54 -4.99 105.19 110.35 2qub n GLY 490 Ca -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 5.00 5.76 0.10 -0.02 0.00 -1.25 -4.73 105.19 110.05 2qub n GLY 491 Ca 0.00 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.45 2qub n GLY 491 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qub n ASP 492 N 0.00 0.51 -4.51 1.61 8.00 -1.26 -3.55 116.55 117.35 2qub n ASP 492 Ca 0.00 0.64 -0.25 0.00 0.71 0.00 0.00 54.79 55.89 2qub n ASP 492 Cb 0.00 -0.74 0.14 0.00 -0.02 0.00 0.00 41.12 40.49 2qub n ASP 492 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qub s GLY 493 N -3.43 1.76 -0.68 0.44 0.00 -1.26 -3.70 107.32 100.45 2qub s GLY 493 Ca 0.04 -1.79 -0.27 0.00 0.00 0.00 0.00 44.72 42.70 2qub s GLY 493 CO 0.34 -1.13 1.22 0.99 0.00 0.00 0.00 173.10 174.52 2qub s ASP 494 N -4.84 6.25 0.03 1.64 1.01 -1.26 -4.41 116.67 115.09 2qub s ASP 494 Ca 0.70 -0.33 -0.00 0.00 0.71 0.00 0.00 52.55 53.62 2qub s ASP 494 Cb -0.04 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2qub s ASP 494 CO 0.47 -1.68 0.15 -1.81 0.21 0.00 0.00 175.17 172.51 2qub s ASP 495 N 3.47 6.06 -0.31 0.27 1.01 -1.26 -4.95 116.67 120.96 2qub s ASP 495 Ca 0.36 0.22 -0.06 0.00 0.71 0.00 0.00 52.55 53.77 2qub s ASP 495 Cb -0.09 -1.81 0.02 0.00 1.01 0.00 0.00 42.92 42.05 2qub s ASP 495 CO 0.18 0.22 0.09 -0.69 0.21 0.00 0.00 175.17 175.18 2qub s VAL 496 N -1.35 3.85 -0.23 -1.27 1.01 -1.26 -0.48 120.40 120.66 2qub s VAL 496 Ca 0.29 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2qub s VAL 496 Cb -0.12 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2qub s VAL 496 CO 0.21 -0.02 -0.04 -0.76 0.00 0.00 0.00 175.10 174.48 2qub s LEU 497 N 1.45 3.04 -0.21 3.92 1.43 0.28 -4.99 118.68 123.60 2qub s LEU 497 Ca 0.01 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 2qub s LEU 497 Cb -0.18 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2qub s LEU 497 CO 0.02 -0.07 0.00 -1.58 0.23 0.00 0.00 176.35 174.96 2qub s GLN 498 N 1.43 3.59 0.26 1.70 0.74 -1.26 -0.63 119.66 125.49 2qub s GLN 498 Ca 0.04 -0.53 -0.30 0.00 0.05 0.00 0.00 55.36 54.61 2qub s GLN 498 Cb -0.15 -3.09 -0.11 0.00 1.10 0.00 0.00 33.01 30.76 2qub s GLN 498 CO -0.03 -0.04 1.59 0.00 -0.55 0.00 0.00 175.29 176.26 2qub s ALA 499 N 1.12 3.77 0.62 1.58 0.00 -0.73 -5.00 121.76 123.12 2qub s ALA 499 Ca 0.03 1.53 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 2qub s ALA 499 Cb -0.14 -3.64 0.05 0.00 0.00 0.00 0.00 23.12 19.39 2qub s ALA 499 CO 0.01 -0.93 0.87 1.03 0.00 0.00 0.00 175.76 176.75 2qub s ARG 500 N -0.08 2.33 0.44 0.00 0.52 -1.26 -4.81 118.95 116.09 2qub s ARG 500 Ca 0.65 -0.67 0.17 0.00 -0.52 0.00 0.00 55.73 55.37 2qub s ARG 500 Cb -0.47 -2.38 1.11 0.00 0.52 0.00 0.00 34.95 33.73 2qub s ARG 500 CO 0.43 -0.96 1.91 0.66 0.02 0.00 0.00 175.30 177.37 2qub h SER 501 N -0.20 0.34 -0.27 0.23 4.64 -2.03 -1.96 113.55 114.30 2qub h SER 501 Ca -0.42 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2qub h SER 501 Cb 1.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2qub h SER 501 CO 0.53 0.17 0.00 1.41 -0.87 0.00 0.00 176.83 178.07 2qub n HIS 502 N -4.47 0.36 -1.94 4.77 8.25 -1.26 -4.98 115.22 115.96 2qub n HIS 502 Ca 0.15 -0.49 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 2qub n HIS 502 Cb 0.58 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.00 6.60 -0.02 0.41 1.01 -0.74 -4.77 116.67 118.16 2qub s ASP 503 Ca 0.18 2.58 0.18 0.00 0.71 0.00 0.00 52.55 56.20 2qub s ASP 503 Cb 0.10 -2.59 -0.25 0.00 1.01 0.00 0.00 42.92 41.19 2qub s ASP 503 CO 0.12 -0.83 0.47 0.00 0.21 0.00 0.00 175.17 175.15 2qub n ALA 504 N 4.29 3.06 -2.87 5.23 0.00 0.23 -4.86 120.51 125.59 2qub n ALA 504 Ca 0.14 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 2qub n ALA 504 Cb 0.39 -0.61 -0.12 0.00 0.00 0.00 0.00 19.45 19.11 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 -3.07 0.51 -0.11 0.00 0.52 -1.10 -0.96 118.94 114.74 2qub s TRP 505 Ca -0.03 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.70 2qub s TRP 505 Cb 0.12 -0.32 0.02 0.00 -1.15 0.00 0.00 33.47 32.14 2qub s TRP 505 CO 0.72 -0.09 -0.15 -0.51 0.02 0.00 0.00 176.95 176.95 2qub s LEU 506 N -1.20 1.69 -0.31 2.99 1.43 -0.49 -1.91 118.68 120.87 2qub s LEU 506 Ca -0.08 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2qub s LEU 506 Cb -0.08 -1.09 0.07 0.00 0.03 0.00 0.00 46.19 45.13 2qub s LEU 506 CO -0.00 -0.00 -0.00 -0.36 0.23 0.00 0.00 176.35 176.22 2qub s PHE 507 N 1.10 3.44 0.17 0.29 0.08 -0.10 -1.00 117.98 121.95 2qub s PHE 507 Ca -0.04 -2.41 0.12 0.00 0.12 0.00 0.00 56.93 54.72 2qub s PHE 507 Cb -0.14 -2.40 0.26 0.00 -0.57 0.00 0.00 43.02 40.17 2qub s PHE 507 CO -0.03 -0.89 1.54 0.78 -0.10 0.00 0.00 175.22 176.52 2qub h GLY 508 N 7.82 0.00 0.00 4.36 0.00 -1.31 0.16 103.07 114.09 2qub h GLY 508 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2qub h GLY 508 CO 0.52 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.76 2qub n ASN 509 N -3.58 -0.97 -4.70 0.19 3.02 -1.22 -3.95 115.26 104.06 2qub n ASN 509 Ca -0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.24 2qub n ASN 509 Cb 0.68 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.99 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 -1.97 1.61 0.00 5.41 0.00 -1.23 -3.82 121.76 121.76 2qub s ALA 510 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2qub s ALA 510 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2qub s ALA 510 CO 0.00 -2.39 0.00 0.41 0.00 0.00 0.00 175.76 173.78 2qub n GLY 511 N -0.58 -0.05 3.39 0.00 0.00 -1.24 -4.05 105.19 102.65 2qub n GLY 511 Ca 0.09 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.11 6.23 0.26 1.61 -0.87 -1.26 -4.19 114.94 114.60 2qub s ASN 512 Ca 0.00 -1.44 0.06 0.00 -1.57 0.00 0.00 52.86 49.91 2qub s ASN 512 Cb 0.00 -2.33 -0.03 0.00 -0.02 0.00 0.00 41.25 38.87 2qub s ASN 512 CO 0.00 -1.16 0.31 -1.81 -2.57 0.00 0.00 177.10 171.87 2qub s ASP 513 N 3.59 5.96 -0.23 -1.22 1.01 -1.25 -4.15 116.67 120.37 2qub s ASP 513 Ca 0.15 -0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.32 2qub s ASP 513 Cb -0.21 -1.60 0.04 0.00 1.01 0.00 0.00 42.92 42.15 2qub s ASP 513 CO 0.05 -0.10 -0.12 -0.89 0.21 0.00 0.00 175.17 174.33 2qub s THR 514 N -2.07 2.42 -0.30 -1.27 2.01 0.36 -0.53 115.64 116.26 2qub s THR 514 Ca 0.35 -1.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 2qub s THR 514 Cb -0.08 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.21 2qub s THR 514 CO 0.28 0.22 0.08 -0.76 -0.69 0.00 0.00 174.62 173.75 2qub s LEU 515 N 1.24 3.94 -0.21 4.42 1.02 0.12 -0.56 118.68 128.65 2qub s LEU 515 Ca -0.01 -0.79 -0.05 0.00 0.02 0.00 0.00 54.13 53.29 2qub s LEU 515 Cb -0.17 -1.88 -0.02 0.00 0.02 0.00 0.00 46.19 44.14 2qub s LEU 515 CO -0.07 -0.22 0.01 -0.63 0.02 0.00 0.00 176.35 175.46 2qub s ILE 516 N 1.48 3.93 0.35 -0.59 1.01 0.20 -0.61 121.20 126.96 2qub s ILE 516 Ca 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 2qub s ILE 516 Cb -0.18 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.58 2qub s ILE 516 CO 0.02 0.41 0.42 0.61 0.00 0.00 0.00 174.94 176.40 2qub n GLY 517 N 4.50 -1.61 3.20 6.18 0.00 -0.64 -1.77 105.19 115.05 2qub n GLY 517 Ca -0.17 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.88 1.05 0.45 1.61 -3.43 -1.26 -4.62 115.29 107.20 2qub s HIS 518 Ca 0.25 -1.03 0.17 0.00 -0.80 0.00 0.00 55.06 53.64 2qub s HIS 518 Cb -0.01 -0.60 1.11 0.00 -1.43 0.00 0.00 32.58 31.64 2qub s HIS 518 CO 0.18 -0.25 1.94 0.00 -2.00 0.00 0.00 174.74 174.61 2qub h ALA 519 N 2.81 2.16 0.00 -1.38 0.00 -1.98 -0.60 119.26 120.27 2qub h ALA 519 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2qub h ALA 519 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qub h ALA 519 CO 0.63 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2qub n GLY 520 N -1.54 -1.21 7.00 0.00 0.00 -1.26 -4.46 105.19 103.71 2qub n GLY 520 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.30 1.88 3.74 -0.02 0.00 -0.23 -4.67 105.19 106.18 2qub n GLY 521 Ca 0.04 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.67 -4.46 -4.43 1.61 3.02 -0.07 -4.88 115.26 105.39 2qub n ASN 522 Ca 0.00 -0.66 -0.32 0.00 -0.03 0.00 0.00 54.58 53.57 2qub n ASN 522 Cb 0.00 -3.60 -0.14 0.00 -0.61 0.00 0.00 39.78 35.43 2qub n ASN 522 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2qub s LEU 523 N -7.02 2.52 -0.29 3.41 2.96 -1.26 -4.84 118.68 114.16 2qub s LEU 523 Ca 0.58 -0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 54.07 2qub s LEU 523 Cb -0.30 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2qub s LEU 523 CO 0.72 0.32 0.15 -0.89 -1.32 0.00 0.00 176.35 175.33 2qub s THR 524 N -0.74 4.79 -0.23 3.68 2.01 -0.13 -1.07 115.64 123.94 2qub s THR 524 Ca 0.12 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 2qub s THR 524 Cb -0.10 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2qub s THR 524 CO 0.01 0.18 0.43 -0.36 -0.69 0.00 0.00 174.62 174.19 2qub s PHE 525 N 1.66 3.31 -0.41 4.92 0.08 0.33 -1.39 117.98 126.49 2qub s PHE 525 Ca 0.06 0.58 0.02 0.00 0.12 0.00 0.00 56.93 57.71 2qub s PHE 525 Cb -0.16 -2.60 0.12 0.00 -0.57 0.00 0.00 43.02 39.81 2qub s PHE 525 CO 0.07 -0.14 0.18 0.08 -0.10 0.00 0.00 175.22 175.31 2qub s VAL 526 N 1.78 1.63 0.37 -0.44 1.01 -0.17 -1.02 120.40 123.55 2qub s VAL 526 Ca 0.19 -2.38 0.14 0.00 0.00 0.00 0.00 61.98 59.93 2qub s VAL 526 Cb -0.15 -2.17 0.11 0.00 0.00 0.00 0.00 36.38 34.17 2qub s VAL 526 CO 0.09 -0.78 1.85 1.23 0.00 0.00 0.00 175.10 177.49 2qub h GLY 527 N 7.16 0.00 0.00 4.51 0.00 -1.80 -1.06 103.07 111.88 2qub h GLY 527 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2qub h GLY 527 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.67 2qub n GLY 528 N -0.48 -1.10 3.60 4.60 0.00 -1.26 -3.38 105.19 107.18 2qub n GLY 528 Ca -0.02 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 2.16 0.00 1.61 1.04 -1.25 -4.62 113.70 108.65 2qub s SER 529 Ca 0.00 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2qub s SER 529 Cb 0.00 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2qub s SER 529 CO 0.00 -3.49 0.00 0.61 0.98 0.00 0.00 173.24 171.34 2qub n GLY 530 N 0.12 -1.24 3.41 7.32 0.00 -1.26 -3.93 105.19 109.61 2qub n GLY 530 Ca 0.07 -1.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.27 6.20 0.10 1.61 1.01 -1.26 -4.00 116.67 117.05 2qub s ASP 531 Ca 0.00 -1.13 0.05 0.00 0.71 0.00 0.00 52.55 52.18 2qub s ASP 531 Cb 0.00 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 2qub s ASP 531 CO 0.00 -0.86 -0.00 -1.81 0.21 0.00 0.00 175.17 172.71 2qub s ASP 532 N 2.84 4.99 -0.24 0.27 1.01 -1.23 -3.93 116.67 120.38 2qub s ASP 532 Ca 0.11 -0.20 -0.08 0.00 0.71 0.00 0.00 52.55 53.10 2qub s ASP 532 Cb -0.22 -1.17 -0.03 0.00 1.01 0.00 0.00 42.92 42.50 2qub s ASP 532 CO 0.09 0.17 0.08 -0.63 0.21 0.00 0.00 175.17 175.10 2qub s ILE 533 N -1.33 4.55 -0.28 0.77 1.01 0.31 -1.30 121.20 124.93 2qub s ILE 533 Ca 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 2qub s ILE 533 Cb -0.12 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.26 2qub s ILE 533 CO 0.18 0.35 0.01 -0.76 0.00 0.00 0.00 174.94 174.72 2qub s LEU 534 N 1.37 3.64 -0.75 2.97 1.43 -0.00 -0.70 118.68 126.64 2qub s LEU 534 Ca 0.05 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 2qub s LEU 534 Cb -0.15 -1.76 0.20 0.00 0.03 0.00 0.00 46.19 44.51 2qub s LEU 534 CO 0.04 -0.19 0.65 -0.54 0.23 0.00 0.00 176.35 176.54 2qub s LYS 535 N 1.37 3.26 0.19 1.70 -0.14 0.22 -0.30 119.74 126.04 2qub s LYS 535 Ca -0.00 -2.41 -0.30 0.00 -1.36 0.00 0.00 55.97 51.90 2qub s LYS 535 Cb -0.18 -4.23 -0.09 0.00 -1.68 0.00 0.00 37.83 31.66 2qub s LYS 535 CO -0.01 -1.26 1.34 0.20 -0.76 0.00 0.00 175.35 174.86 2qub s GLY 536 N 1.90 2.35 -0.01 -3.33 0.00 0.48 -1.62 107.32 107.09 2qub s GLY 536 Ca 0.16 1.13 0.03 0.00 0.00 0.00 0.00 44.72 46.04 2qub s GLY 536 CO -0.06 2.14 -0.11 0.14 0.00 0.00 0.00 173.10 175.21 2qub s VAL 537 N 0.29 0.87 0.00 1.40 1.01 -1.26 -4.39 120.40 118.32 2qub s VAL 537 Ca 0.58 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2qub s VAL 537 Cb -0.37 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2qub s VAL 537 CO 0.37 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2qub n GLY 538 N 2.85 0.02 3.58 4.51 0.00 -1.26 -3.98 105.19 110.92 2qub n GLY 538 Ca -0.14 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 4.14 -0.77 1.61 0.01 -1.26 -4.75 114.94 109.91 2qub s ASN 539 Ca 0.00 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 2qub s ASN 539 Cb 0.00 -0.59 0.00 0.00 0.41 0.00 0.00 41.25 41.07 2qub s ASN 539 CO 0.00 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.16 2qub n GLY 540 N -0.82 0.60 3.82 0.66 0.00 -1.21 -0.89 105.19 107.35 2qub n GLY 540 Ca -0.05 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.81 7.01 -0.11 1.61 0.01 -1.26 -3.57 114.94 115.83 2qub s ASN 541 Ca 0.00 1.64 0.02 0.00 -0.71 0.00 0.00 52.86 53.81 2qub s ASN 541 Cb 0.00 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 2qub s ASN 541 CO 0.00 -0.25 -0.16 -0.89 -1.51 0.00 0.00 177.10 174.30 2qub s THR 542 N -1.98 2.83 -0.24 1.60 2.01 -0.23 -0.97 115.64 118.65 2qub s THR 542 Ca 0.57 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 2qub s THR 542 Cb -0.12 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.24 2qub s THR 542 CO 0.17 0.54 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.26 2qub s PHE 543 N 0.12 3.02 -0.10 4.92 0.08 0.48 -0.52 117.98 125.98 2qub s PHE 543 Ca -0.08 -1.03 0.02 0.00 0.12 0.00 0.00 56.93 55.96 2qub s PHE 543 Cb -0.15 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2qub s PHE 543 CO 0.05 -0.58 -0.15 -1.17 -0.10 0.00 0.00 175.22 173.28 2qub s LEU 544 N 1.46 2.66 -0.02 -0.37 2.96 -0.19 -1.13 118.68 124.06 2qub s LEU 544 Ca 0.04 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2qub s LEU 544 Cb -0.15 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.00 2qub s LEU 544 CO -0.02 0.24 0.02 -0.36 -1.32 0.00 0.00 176.35 174.91 2qub s PHE 545 N -0.07 0.06 -0.02 5.38 0.08 -0.19 -4.40 117.98 118.82 2qub s PHE 545 Ca -0.03 0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.10 2qub s PHE 545 Cb -0.14 -0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.07 2qub s PHE 545 CO 0.04 -0.09 0.06 0.45 -0.10 0.00 0.00 175.22 175.58 2qub s SER 546 N 0.98 -0.01 1.00 1.36 0.15 -1.26 -1.11 113.70 114.80 2qub s SER 546 Ca -0.08 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2qub s SER 546 Cb -0.12 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2qub s SER 546 CO -0.03 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2qub n GLY 547 N 2.65 2.69 3.52 9.45 0.00 -1.03 -3.99 105.19 118.49 2qub n GLY 547 Ca -0.15 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 6.21 0.00 1.61 1.01 -1.26 -4.65 116.67 115.59 2qub s ASP 548 Ca 0.00 -0.55 0.17 0.00 0.71 0.00 0.00 52.55 52.88 2qub s ASP 548 Cb 0.00 -2.51 0.42 0.00 1.01 0.00 0.00 42.92 41.85 2qub s ASP 548 CO 0.00 -1.64 1.34 2.22 0.21 0.00 0.00 175.17 177.31 2qub n PHE 549 N 8.64 0.61 -4.27 4.23 1.16 -1.26 -4.60 117.46 121.97 2qub n PHE 549 Ca 0.01 -0.42 0.00 0.00 -1.87 0.00 0.00 57.45 55.17 2qub n PHE 549 Cb 0.48 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 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 1.07 -0.74 3.11 4.97 0.00 -1.26 -4.29 105.19 108.04 2qub n GLY 550 Ca 0.17 -1.16 -0.34 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 2.05 0.19 1.61 0.52 -1.26 -0.98 118.95 121.08 2qub s ARG 551 Ca 0.00 -1.60 0.04 0.00 -0.52 0.00 0.00 55.73 53.64 2qub s ARG 551 Cb 0.00 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2qub s ARG 551 CO 0.00 -0.84 0.29 -0.51 0.02 0.00 0.00 175.30 174.25 2qub s ASP 552 N 1.36 6.18 -0.11 0.23 1.11 -0.15 -3.52 116.67 121.77 2qub s ASP 552 Ca 0.03 0.07 0.04 0.00 0.18 0.00 0.00 52.55 52.87 2qub s ASP 552 Cb -0.21 -1.81 0.00 0.00 1.07 0.00 0.00 42.92 41.98 2qub s ASP 552 CO -0.04 0.01 -0.23 -1.10 1.18 0.00 0.00 175.17 174.98 2qub s GLN 553 N -3.51 3.05 -0.26 8.23 -0.21 -0.42 -1.49 119.66 125.06 2qub s GLN 553 Ca 0.34 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.85 2qub s GLN 553 Cb -0.10 -2.34 0.04 0.00 1.00 0.00 0.00 33.01 31.61 2qub s GLN 553 CO 0.28 0.14 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.34 2qub s LEU 554 N 0.45 3.35 0.03 2.90 0.20 0.70 -0.82 118.68 125.49 2qub s LEU 554 Ca -0.16 -1.12 -0.00 0.00 0.69 0.00 0.00 54.13 53.54 2qub s LEU 554 Cb -0.17 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 2qub s LEU 554 CO 0.06 -0.17 0.16 -0.31 -0.29 0.00 0.00 176.35 175.81 2qub s TYR 555 N 1.23 3.44 -0.01 5.38 2.02 0.59 -1.49 117.35 128.52 2qub s TYR 555 Ca -0.04 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 2qub s TYR 555 Cb -0.18 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 2qub s TYR 555 CO -0.05 0.59 0.00 0.41 -1.57 0.00 0.00 175.55 174.93 2qub n GLY 556 N 0.64 0.43 3.77 0.71 0.00 -1.26 -0.39 105.19 109.09 2qub n GLY 556 Ca -0.08 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 2.95 0.33 1.61 5.36 -1.26 -4.73 117.98 120.25 2qub s PHE 557 Ca 0.00 1.27 0.04 0.00 -0.96 0.00 0.00 56.93 57.28 2qub s PHE 557 Cb 0.00 -3.78 -0.02 0.00 -0.34 0.00 0.00 43.02 38.88 2qub s PHE 557 CO 0.00 -2.27 0.33 0.54 -1.46 0.00 0.00 175.22 172.36 2qub s ASN 558 N -0.21 1.40 0.31 6.13 2.20 -1.26 -4.99 114.94 118.51 2qub s ASN 558 Ca 0.52 -1.67 0.21 0.00 -0.94 0.00 0.00 52.86 50.99 2qub s ASN 558 Cb -0.42 0.58 1.13 0.00 -2.00 0.00 0.00 41.25 40.54 2qub s ASN 558 CO 0.52 -1.13 1.65 0.00 -2.94 0.00 0.00 177.10 175.20 2qub n ALA 559 N -0.59 1.09 1.06 3.54 0.00 -1.26 -1.56 120.51 122.78 2qub n ALA 559 Ca 0.05 0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.79 2qub n ALA 559 Cb 0.62 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.84 2qub n ALA 559 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qub n SER 560 N -2.23 1.76 -4.96 0.00 3.41 -1.26 -4.98 113.62 105.36 2qub n SER 560 Ca -0.01 -1.35 -0.23 0.00 -0.26 0.00 0.00 58.87 57.02 2qub n SER 560 Cb 0.05 0.42 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 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 -2.51 5.56 0.01 4.04 1.01 -0.60 -3.31 116.67 120.88 2qub s ASP 561 Ca 0.19 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.70 2qub s ASP 561 Cb 0.18 -1.29 -0.01 0.00 1.01 0.00 0.00 42.92 42.81 2qub s ASP 561 CO 0.57 -0.94 -0.06 -0.75 0.21 0.00 0.00 175.17 174.20 2qub s LYS 562 N -4.70 0.49 -0.13 8.23 2.20 -0.14 -4.77 119.74 120.91 2qub s LYS 562 Ca 0.53 -0.35 -0.02 0.00 -0.36 0.00 0.00 55.97 55.76 2qub s LYS 562 Cb -0.10 -0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 35.77 2qub s LYS 562 CO 0.39 0.11 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.92 2qub s LEU 563 N -0.51 3.13 -0.12 5.43 1.43 0.41 -0.39 118.68 128.08 2qub s LEU 563 Ca -0.01 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2qub s LEU 563 Cb -0.04 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.47 2qub s LEU 563 CO -0.00 0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 176.00 2qub s VAL 564 N 0.14 1.18 -0.20 -1.59 1.01 -0.28 -1.16 120.40 119.50 2qub s VAL 564 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2qub s VAL 564 Cb -0.14 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.09 2qub s VAL 564 CO 0.03 0.39 -0.12 -0.36 0.00 0.00 0.00 175.10 175.04 2qub s PHE 565 N 1.51 2.86 -0.12 5.22 0.08 -0.22 -1.02 117.98 126.30 2qub s PHE 565 Ca 0.02 -1.29 0.01 0.00 0.12 0.00 0.00 56.93 55.79 2qub s PHE 565 Cb -0.13 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 2qub s PHE 565 CO -0.07 -0.68 -0.13 0.42 -0.10 0.00 0.00 175.22 174.66 2qub s ILE 566 N 1.36 1.43 -1.11 0.64 1.01 -0.27 -0.52 121.20 123.75 2qub s ILE 566 Ca 0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 2qub s ILE 566 Cb -0.14 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.00 2qub s ILE 566 CO -0.08 0.43 0.95 0.61 0.00 0.00 0.00 174.94 176.85 2qub n GLY 567 N 4.50 -0.31 3.78 6.18 0.00 -0.66 -2.88 105.19 115.80 2qub n GLY 567 Ca -0.17 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.31 3.96 0.41 2.61 -4.23 -1.26 -2.46 115.64 111.37 2qub s THR 568 Ca 0.17 -1.55 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 2qub s THR 568 Cb -0.08 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.46 2qub s THR 568 CO 0.65 -0.32 1.10 -0.62 -0.54 0.00 0.00 174.62 174.89 2qub n GLU 569 N -1.13 1.54 0.00 3.99 1.02 -1.26 -4.85 120.64 119.94 2qub n GLU 569 Ca -0.06 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2qub n GLU 569 Cb 0.59 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 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 1.06 2.33 0.05 0.62 0.00 -1.26 -4.86 105.19 103.13 2qub n GLY 570 Ca 0.09 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 1.73 3.01 -1.77 4.61 0.00 -1.26 -4.85 120.51 121.98 2qub n ALA 571 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 2qub n ALA 571 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -4.49 6.73 0.00 0.00 0.15 -1.26 -4.95 113.70 109.88 2qub s SER 572 Ca -0.00 2.25 0.22 0.00 0.70 0.00 0.00 55.95 59.11 2qub s SER 572 Cb 0.13 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 62.41 2qub s SER 572 CO 0.82 -0.52 1.49 0.61 1.20 0.00 0.00 173.24 176.84 2qub n GLY 573 N 0.66 2.40 3.25 9.45 0.00 -1.26 -4.86 105.19 114.83 2qub n GLY 573 Ca 0.03 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.07 5.13 0.60 1.61 3.84 -1.26 -4.84 114.94 118.95 2qub s ASN 574 Ca 0.45 -1.12 0.29 0.00 0.21 0.00 0.00 52.86 52.70 2qub s ASN 574 Cb 0.24 -1.82 1.68 0.00 -0.55 0.00 0.00 41.25 40.80 2qub s ASN 574 CO 0.31 -0.29 2.10 -0.29 -2.79 0.00 0.00 177.10 176.15 2qub h ILE 575 N 6.22 0.43 0.00 -5.21 6.09 -1.98 -0.50 117.51 122.56 2qub h ILE 575 Ca -0.24 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.25 2qub h ILE 575 Cb 1.08 0.83 -0.00 0.00 0.47 0.00 0.00 36.82 39.20 2qub h ILE 575 CO 0.58 0.00 -0.01 -0.09 -3.07 0.00 0.00 178.15 175.56 2qub h ARG 576 N 0.00 0.00 0.00 2.19 2.43 -1.95 -0.58 114.38 116.47 2qub h ARG 576 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2qub h ARG 576 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2qub h ARG 576 CO -0.00 0.01 0.00 -0.44 -1.51 0.00 0.00 179.97 178.03 2qub h ASP 577 N 0.00 0.00 -0.00 -3.80 3.32 -1.51 -2.82 116.42 111.61 2qub h ASP 577 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qub h ASP 577 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2qub h ASP 577 CO 0.00 0.00 -0.69 -1.22 -1.72 0.00 0.00 179.24 175.61 2qub n TYR 578 N -3.07 0.00 -3.80 4.55 4.01 -0.23 -5.02 117.16 113.60 2qub n TYR 578 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 2qub n TYR 578 Cb 0.27 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 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 -2.70 3.84 -0.05 -0.72 0.00 -1.07 -1.76 121.76 119.31 2qub s ALA 579 Ca 0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 2qub s ALA 579 Cb 0.17 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 21.27 2qub s ALA 579 CO 0.70 0.59 0.10 0.95 0.00 0.00 0.00 175.76 178.10 2qub s THR 580 N -1.05 -0.06 -0.10 0.00 -4.23 -0.40 -5.01 115.64 104.80 2qub s THR 580 Ca 0.17 0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.62 2qub s THR 580 Cb -0.13 -0.17 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 2qub s THR 580 CO 0.06 0.08 0.87 -1.58 -0.54 0.00 0.00 174.62 173.52 2qub s GLN 581 N 1.17 4.40 -0.53 3.99 2.00 -1.26 -1.12 119.66 128.31 2qub s GLN 581 Ca -0.09 1.15 0.04 0.00 -2.00 0.00 0.00 55.36 54.46 2qub s GLN 581 Cb -0.12 -3.52 0.13 0.00 0.80 0.00 0.00 33.01 30.30 2qub s GLN 581 CO -0.05 -0.19 0.27 -0.65 -0.50 0.00 0.00 175.29 174.17 2qub s GLN 582 N 1.63 1.98 7.91 1.67 -0.21 0.91 -4.98 119.66 128.57 2qub s GLN 582 Ca 0.43 -2.64 0.00 0.00 0.02 0.00 0.00 55.36 53.17 2qub s GLN 582 Cb -0.18 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.53 2qub s GLN 582 CO 0.18 -1.12 0.00 0.09 -2.12 0.00 0.00 175.29 172.32 2qub n ASN 583 N 3.07 0.00 -0.12 5.90 3.02 -1.26 -1.84 115.26 124.03 2qub n ASN 583 Ca 0.06 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.74 2qub n ASN 583 Cb 0.32 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.19 2qub n ASN 583 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qub n ASP 584 N 6.07 0.38 -4.57 6.41 8.00 -1.26 -4.84 116.55 126.74 2qub n ASP 584 Ca 0.00 -1.28 -0.32 0.00 0.71 0.00 0.00 54.79 53.90 2qub n ASP 584 Cb 0.00 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 40.98 2qub n ASP 584 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2qub s ASP 585 N -1.82 4.52 -0.29 -2.24 1.01 -0.76 -1.92 116.67 115.16 2qub s ASP 585 Ca 0.38 -0.16 -0.08 0.00 0.71 0.00 0.00 52.55 53.40 2qub s ASP 585 Cb 0.18 -1.03 -0.00 0.00 1.01 0.00 0.00 42.92 43.08 2qub s ASP 585 CO 0.30 0.29 0.10 -0.22 0.21 0.00 0.00 175.17 175.85 2qub s LEU 586 N -1.33 3.87 -0.25 1.23 2.96 -0.48 -0.06 118.68 124.62 2qub s LEU 586 Ca 0.16 -0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 53.37 2qub s LEU 586 Cb -0.11 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 2qub s LEU 586 CO 0.06 -0.17 0.26 -0.69 -1.32 0.00 0.00 176.35 174.50 2qub s VAL 587 N 1.55 5.28 -0.35 1.68 1.01 -0.28 -0.46 120.40 128.83 2qub s VAL 587 Ca 0.04 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 2qub s VAL 587 Cb -0.17 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2qub s VAL 587 CO 0.04 0.27 0.14 -0.76 0.00 0.00 0.00 175.10 174.78 2qub s LEU 588 N 1.47 4.47 -0.18 3.92 1.43 -0.41 -1.28 118.68 128.10 2qub s LEU 588 Ca 0.11 -1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.03 2qub s LEU 588 Cb -0.15 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2qub s LEU 588 CO 0.08 -0.35 0.03 0.00 0.23 0.00 0.00 176.35 176.33 2qub s ALA 589 N 1.44 3.23 -0.54 4.21 0.00 -0.72 -1.48 121.76 127.90 2qub s ALA 589 Ca -0.00 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.19 2qub s ALA 589 Cb -0.20 -1.81 0.35 0.00 0.00 0.00 0.00 23.12 21.46 2qub s ALA 589 CO 0.04 0.10 0.93 1.19 0.00 0.00 0.00 175.76 178.03 2qub n PHE 590 N 3.71 3.48 0.00 0.00 3.72 0.61 -4.82 117.46 124.16 2qub n PHE 590 Ca -0.17 -3.89 0.00 0.00 -0.05 0.00 0.00 57.45 53.34 2qub n PHE 590 Cb 0.52 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.20 1.99 0.06 1.37 0.00 -1.26 -1.91 105.19 105.24 2qub n GLY 591 Ca 0.31 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.63 2qub n GLY 591 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qub n HIS 592 N 3.24 0.43 -4.29 1.61 8.25 -1.26 -4.78 115.22 118.43 2qub n HIS 592 Ca 0.00 0.15 -0.24 0.00 -0.26 0.00 0.00 57.72 57.37 2qub n HIS 592 Cb 0.00 -0.74 -0.08 0.00 1.12 0.00 0.00 29.99 30.29 2qub n HIS 592 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2qub s SER 593 N -3.69 4.32 -0.12 0.41 0.01 -0.80 -4.63 113.70 109.19 2qub s SER 593 Ca 0.09 -0.89 -0.32 0.00 1.31 0.00 0.00 55.95 56.14 2qub s SER 593 Cb 0.13 -0.61 0.13 0.00 0.21 0.00 0.00 66.02 65.87 2qub s SER 593 CO 0.45 -0.20 1.06 0.00 0.41 0.00 0.00 173.24 174.96 2qub s GLN 594 N -3.73 0.53 -0.04 12.44 -2.07 -0.16 -0.29 119.66 126.35 2qub s GLN 594 Ca 0.35 -0.14 0.01 0.00 -1.82 0.00 0.00 55.36 53.76 2qub s GLN 594 Cb -0.02 0.25 0.02 0.00 -1.09 0.00 0.00 33.01 32.17 2qub s GLN 594 CO 0.20 -0.22 -0.06 0.54 -1.32 0.00 0.00 175.29 174.43 2qub s VAL 595 N -2.42 0.63 -0.29 3.63 0.11 -0.55 -0.97 120.40 120.53 2qub s VAL 595 Ca 0.06 -0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2qub s VAL 595 Cb -0.01 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2qub s VAL 595 CO -0.06 0.24 0.20 -0.89 -3.33 0.00 0.00 175.10 171.26 2qub s THR 596 N 0.73 5.30 -0.45 5.04 2.01 -0.55 -1.29 115.64 126.44 2qub s THR 596 Ca -0.11 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 2qub s THR 596 Cb -0.13 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 68.83 2qub s THR 596 CO 0.01 0.19 0.69 -0.76 -0.69 0.00 0.00 174.62 174.05 2qub s LEU 597 N 1.75 4.45 0.03 4.42 1.02 0.39 -0.22 118.68 130.52 2qub s LEU 597 Ca 0.07 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 53.61 2qub s LEU 597 Cb -0.16 -2.78 -0.05 0.00 0.02 0.00 0.00 46.19 43.21 2qub s LEU 597 CO 0.11 -0.83 1.20 -0.63 0.02 0.00 0.00 176.35 176.22 2qub s ILE 598 N 2.96 4.11 -0.89 -0.59 1.09 -0.55 -1.38 121.20 125.94 2qub s ILE 598 Ca 0.24 1.49 0.00 0.00 -1.10 0.00 0.00 60.65 61.29 2qub s ILE 598 Cb -0.14 -3.96 0.00 0.00 -1.06 0.00 0.00 42.46 37.31 2qub s ILE 598 CO 0.20 0.08 0.00 0.61 -0.10 0.00 0.00 174.94 175.73 2qub n GLY 599 N 3.27 0.36 3.32 6.18 0.00 -0.81 -4.56 105.19 112.95 2qub n GLY 599 Ca 0.10 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.44 2.05 0.15 1.61 1.01 -0.90 -4.99 120.40 116.89 2qub s VAL 600 Ca 0.00 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 60.82 2qub s VAL 600 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2qub s VAL 600 CO 0.00 0.45 -0.08 -0.94 0.00 0.00 0.00 175.10 174.53 2qub s SER 601 N -0.93 4.41 0.32 3.32 1.04 -1.26 -3.29 113.70 117.31 2qub s SER 601 Ca 0.11 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.08 2qub s SER 601 Cb -0.10 -0.82 0.55 0.00 0.10 0.00 0.00 66.02 65.75 2qub s SER 601 CO 0.01 0.13 1.91 0.25 0.98 0.00 0.00 173.24 176.52 2qub h LEU 602 N 3.13 0.67 0.00 2.42 5.85 -1.97 -2.48 115.31 122.93 2qub h LEU 602 Ca -0.48 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2qub h LEU 602 Cb 1.19 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2qub h LEU 602 CO 0.54 0.61 0.00 -0.90 -0.34 0.00 0.00 178.44 178.35 2qub n ASP 603 N -4.34 0.00 -0.94 1.25 3.85 -1.26 -2.28 116.55 112.83 2qub n ASP 603 Ca 0.04 -0.43 0.10 0.00 -0.71 0.00 0.00 54.79 53.79 2qub n ASP 603 Cb 0.16 -0.07 0.15 0.00 -1.35 0.00 0.00 41.12 40.01 2qub n ASP 603 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 2qub n HIS 604 N -1.07 0.30 -3.78 2.11 8.25 -0.93 -4.90 115.22 115.19 2qub n HIS 604 Ca 0.13 -0.18 -0.36 0.00 -0.26 0.00 0.00 57.72 57.05 2qub n HIS 604 Cb 0.08 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.45 4.24 0.50 1.59 1.01 -0.96 -4.83 121.20 121.30 2qub s ILE 605 Ca 0.30 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 2qub s ILE 605 Cb 0.19 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2qub s ILE 605 CO 0.27 0.35 0.81 -0.94 0.00 0.00 0.00 174.94 175.43 2qub s SER 606 N 1.56 6.16 0.21 3.58 1.04 -1.26 -4.99 113.70 119.99 2qub s SER 606 Ca 0.06 0.91 -0.10 0.00 0.48 0.00 0.00 55.95 57.31 2qub s SER 606 Cb -0.15 -2.17 0.27 0.00 0.10 0.00 0.00 66.02 64.07 2qub s SER 606 CO 0.03 -0.67 1.74 0.71 0.98 0.00 0.00 173.24 176.04 2qub h THR 607 N 0.14 0.78 0.00 2.02 1.35 -1.99 -1.76 112.91 113.45 2qub h THR 607 Ca -0.47 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2qub h THR 607 Cb 1.21 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2qub h THR 607 CO 0.61 0.07 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 2qub n ASP 608 N -4.99 0.00 -0.25 5.36 5.75 -1.26 -2.27 116.55 118.88 2qub n ASP 608 Ca 0.08 -0.46 0.13 0.00 -0.01 0.00 0.00 54.79 54.54 2qub n ASP 608 Cb 0.27 -0.06 0.47 0.00 -1.03 0.00 0.00 41.12 40.77 2qub n ASP 608 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qub n GLN 609 N -1.06 0.95 -4.19 0.11 6.02 -0.66 -4.87 117.38 113.69 2qub n GLN 609 Ca 0.13 -0.51 -0.19 0.00 -0.01 0.00 0.00 57.00 56.42 2qub n GLN 609 Cb 0.08 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 29.69 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 -2.40 0.53 -0.15 5.09 1.01 -0.96 -0.44 120.40 123.09 2qub s VAL 610 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2qub s VAL 610 Cb 0.20 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 2qub s VAL 610 CO 0.47 0.21 -0.15 -0.69 0.00 0.00 0.00 175.10 174.94 2qub s VAL 611 N 0.71 2.69 -0.33 2.92 1.01 -0.31 -4.99 120.40 122.10 2qub s VAL 611 Ca -0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2qub s VAL 611 Cb -0.13 -2.13 0.08 0.00 0.00 0.00 0.00 36.38 34.21 2qub s VAL 611 CO 0.00 0.52 0.04 -0.76 0.00 0.00 0.00 175.10 174.90 2qub s LEU 612 N 0.71 4.35 0.00 3.92 1.43 -1.26 -1.05 118.68 126.77 2qub s LEU 612 Ca -0.07 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.36 2qub s LEU 612 Cb -0.16 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2qub s LEU 612 CO 0.02 -0.34 0.39 0.00 0.23 0.00 0.00 176.35 176.64