#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 3.19 0.00 0.66 3.76 -1.26 -4.86 115.29 116.78 2qub s HIS 0 Ca 0.00 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 2qub s HIS 0 Cb 0.00 -3.60 0.00 0.00 1.11 0.00 0.00 32.58 30.09 2qub s HIS 0 CO 0.00 -1.69 0.52 -1.33 -0.85 0.00 0.00 174.74 171.39 2qub n MET 1 N 1.46 -0.84 0.00 1.40 0.00 -1.25 -4.99 117.12 112.90 2qub n MET 1 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 57.70 57.18 2qub n MET 1 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 33.22 32.65 2qub n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qub n GLY 2 N -0.02 1.18 0.28 3.03 0.00 -0.57 -4.35 105.19 104.74 2qub n GLY 2 Ca 0.00 -1.61 0.04 0.00 0.00 0.00 0.00 46.02 44.45 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 1.11 -0.71 -0.61 2.10 -1.72 -2.06 117.51 115.61 2qub h ILE 3 Ca 0.00 -0.32 -0.26 0.00 1.08 0.00 0.00 64.86 65.36 2qub h ILE 3 Cb 0.00 0.80 -0.15 0.00 -1.09 0.00 0.00 36.82 36.37 2qub h ILE 3 CO 0.00 0.12 0.33 0.49 -1.08 0.00 0.00 178.15 178.01 2qub n PHE 4 N -4.43 2.31 -1.76 2.19 3.72 -1.26 -4.05 117.46 114.18 2qub n PHE 4 Ca 0.01 -1.23 -0.41 0.00 -0.05 0.00 0.00 57.45 55.77 2qub n PHE 4 Cb 0.13 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 37.98 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 -0.30 3.53 -3.89 4.37 2.88 -0.77 -4.73 113.62 114.69 2qub n SER 5 Ca 0.40 1.19 -0.22 0.00 -1.33 0.00 0.00 58.87 58.91 2qub n SER 5 Cb 1.34 -1.60 -0.17 0.00 -0.75 0.00 0.00 64.21 63.03 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 -1.14 0.97 0.00 0.66 5.04 -1.26 -5.05 117.35 116.57 2qub s TYR 6 Ca 0.56 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 2qub s TYR 6 Cb -0.48 -0.85 0.00 0.00 0.35 0.00 0.00 41.96 40.98 2qub s TYR 6 CO 0.62 -0.28 0.00 1.63 -1.34 0.00 0.00 175.55 176.18 2qub n LYS 7 N 4.35 0.00 -0.51 4.97 5.02 -1.26 -1.74 118.16 128.99 2qub n LYS 7 Ca -0.19 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.17 2qub n LYS 7 Cb 0.51 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.78 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 2.95 3.83 -4.77 4.39 5.75 -1.26 -5.01 116.55 122.42 2qub n ASP 8 Ca 0.00 -3.10 -0.34 0.00 -0.01 0.00 0.00 54.79 51.34 2qub n ASP 8 Cb 0.00 -0.57 0.02 0.00 -1.03 0.00 0.00 41.12 39.54 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 -2.88 3.61 0.80 -2.12 1.43 -0.71 -5.04 118.68 113.77 2qub s LEU 9 Ca 0.43 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.50 2qub s LEU 9 Cb 0.35 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 42.08 2qub s LEU 9 CO 0.08 -1.35 1.16 1.51 0.23 0.00 0.00 176.35 177.98 2qub s ASP 10 N -2.12 4.61 0.19 2.29 1.47 -1.26 -4.75 116.67 117.09 2qub s ASP 10 Ca 0.70 0.85 -0.12 0.00 1.18 0.00 0.00 52.55 55.16 2qub s ASP 10 Cb -0.22 -1.40 0.15 0.00 -0.34 0.00 0.00 42.92 41.10 2qub s ASP 10 CO 0.32 -1.85 1.81 -0.08 0.68 0.00 0.00 175.17 176.05 2qub h GLU 11 N -1.01 0.60 -0.15 2.11 4.81 -1.96 -1.57 114.58 117.40 2qub h GLU 11 Ca -0.46 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 2qub h GLU 11 Cb 1.32 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2qub h GLU 11 CO 0.65 0.40 -0.29 -0.91 -0.73 0.00 0.00 179.01 178.13 2qub h ASN 12 N 0.62 0.28 -0.28 1.04 2.35 -1.94 -1.06 115.58 116.59 2qub h ASN 12 Ca 0.24 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2qub h ASN 12 Cb 0.08 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qub h ASN 12 CO -0.13 0.57 -0.28 0.00 -1.65 0.00 0.00 177.43 175.94 2qub h ALA 13 N 1.45 0.42 -0.15 -0.83 0.00 -1.78 -2.38 119.26 116.00 2qub h ALA 13 Ca 0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2qub h ALA 13 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2qub h ALA 13 CO 0.05 0.42 -0.41 0.66 0.00 0.00 0.00 179.25 179.97 2qub h SER 14 N 0.43 0.35 -0.47 0.00 4.64 -1.15 -1.13 113.55 116.22 2qub h SER 14 Ca 0.05 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 2qub h SER 14 Cb 0.85 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 2qub h SER 14 CO 0.07 0.73 0.12 0.11 -0.87 0.00 0.00 176.83 176.98 2qub h LYS 15 N 0.28 0.76 -0.66 4.77 1.57 -1.16 -1.30 116.57 120.84 2qub h LYS 15 Ca 0.03 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2qub h LYS 15 Cb 0.84 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2qub h LYS 15 CO 0.07 0.74 0.28 0.00 -0.57 0.00 0.00 179.45 179.97 2qub h ALA 16 N 0.98 0.85 -0.36 3.86 0.00 -1.28 -1.33 119.26 121.99 2qub h ALA 16 Ca 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qub h ALA 16 Cb 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qub h ALA 16 CO 0.00 0.45 0.23 1.25 0.00 0.00 0.00 179.25 181.19 2qub h LEU 17 N 0.92 0.40 -0.40 0.00 5.85 -1.09 -1.82 115.31 119.16 2qub h LEU 17 Ca 0.22 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2qub h LEU 17 Cb 0.18 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2qub h LEU 17 CO -0.02 0.29 0.21 0.15 -0.34 0.00 0.00 178.44 178.72 2qub h PHE 18 N 0.47 0.38 -0.42 1.25 3.57 -1.00 -0.07 116.94 121.13 2qub h PHE 18 Ca 0.13 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2qub h PHE 18 Cb -0.05 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2qub h PHE 18 CO -0.06 0.20 0.23 1.03 -2.23 0.00 0.00 178.31 177.49 2qub h SER 19 N 0.42 0.36 -0.29 0.41 0.87 -1.02 -1.09 113.55 113.21 2qub h SER 19 Ca 0.17 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2qub h SER 19 Cb 0.07 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2qub h SER 19 CO -0.11 0.26 0.19 0.44 -0.53 0.00 0.00 176.83 177.08 2qub h ASP 20 N 0.47 0.33 -0.28 6.23 3.32 -0.96 -2.20 116.42 123.32 2qub h ASP 20 Ca 0.17 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2qub h ASP 20 Cb 0.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2qub h ASP 20 CO -0.10 0.24 0.17 0.00 -1.72 0.00 0.00 179.24 177.83 2qub h ALA 21 N 1.11 0.36 -0.47 3.45 0.00 -0.60 -1.72 119.26 121.38 2qub h ALA 21 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2qub h ALA 21 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2qub h ALA 21 CO -0.03 -0.13 -0.01 1.25 0.00 0.00 0.00 179.25 180.33 2qub h LEU 22 N 0.36 0.75 0.02 0.00 5.85 -1.18 0.01 115.31 121.12 2qub h LEU 22 Ca 0.10 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2qub h LEU 22 Cb 0.02 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2qub h LEU 22 CO -0.02 0.83 -0.01 0.00 -0.34 0.00 0.00 178.44 178.90 2qub h ALA 23 N 1.26 -0.02 -0.03 1.25 0.00 -1.08 -1.69 119.26 118.94 2qub h ALA 23 Ca 0.14 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2qub h ALA 23 Cb 0.46 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qub h ALA 23 CO 0.02 -0.46 -0.67 -0.84 0.00 0.00 0.00 179.25 177.30 2qub h ILE 24 N -0.14 1.45 -0.27 0.00 3.07 -1.12 -1.97 117.51 118.53 2qub h ILE 24 Ca -0.00 -2.21 -0.00 0.00 1.55 0.00 0.00 64.86 64.19 2qub h ILE 24 Cb 0.13 2.18 -0.01 0.00 -0.27 0.00 0.00 36.82 38.84 2qub h ILE 24 CO 0.00 0.64 0.16 -1.28 -1.05 0.00 0.00 178.15 176.63 2qub h SER 25 N 0.08 0.33 -0.45 2.16 0.87 -0.96 -2.90 113.55 112.68 2qub h SER 25 Ca -0.01 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2qub h SER 25 Cb 1.20 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 2qub h SER 25 CO 0.10 0.29 0.24 0.74 -0.53 0.00 0.00 176.83 177.67 2qub h THR 26 N 0.34 1.17 -0.88 2.23 2.02 -1.23 -3.04 112.91 113.51 2qub h THR 26 Ca 0.10 -0.43 0.14 0.00 0.77 0.00 0.00 66.41 66.98 2qub h THR 26 Cb 0.03 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 2qub h THR 26 CO -0.02 0.18 0.57 0.22 0.37 0.00 0.00 175.52 176.84 2qub h TYR 27 N 0.59 0.81 -0.05 3.16 3.20 -1.24 -2.03 116.97 121.41 2qub h TYR 27 Ca 0.16 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.07 2qub h TYR 27 Cb 0.06 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 2qub h TYR 27 CO -0.02 0.31 0.11 0.00 -1.64 0.00 0.00 178.16 176.92 2qub h ALA 28 N 1.60 1.39 -0.00 1.82 0.00 -1.39 0.02 119.26 122.70 2qub h ALA 28 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2qub h ALA 28 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2qub h ALA 28 CO -0.20 -0.14 -0.27 0.66 0.00 0.00 0.00 179.25 179.31 2qub n TYR 29 N -3.41 0.00 -4.13 0.00 4.01 -0.76 -4.78 117.16 108.09 2qub n TYR 29 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 2qub n TYR 29 Cb 0.19 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.41 -1.69 -2.10 -0.72 8.25 -0.01 -1.89 115.22 115.65 2qub n HIS 30 Ca 0.07 0.77 -0.20 0.00 -0.26 0.00 0.00 57.72 58.10 2qub n HIS 30 Cb 0.33 -3.23 -0.04 0.00 1.12 0.00 0.00 29.99 28.17 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 -2.79 -5.69 0.12 0.41 3.02 -1.26 -4.55 115.26 104.53 2qub n ASN 31 Ca -0.08 0.17 0.15 0.00 -0.03 0.00 0.00 54.58 54.78 2qub n ASN 31 Cb 0.57 -4.80 0.67 0.00 -0.61 0.00 0.00 39.78 35.61 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 0.85 -0.61 2.41 6.09 -1.72 -1.71 117.51 122.82 2qub h ILE 32 Ca -0.46 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 2qub h ILE 32 Cb 1.35 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.49 2qub h ILE 32 CO 0.59 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.77 2qub n ASP 33 N -4.44 5.27 -0.12 2.19 5.75 -1.26 -4.13 116.55 119.80 2qub n ASP 33 Ca 0.04 -2.70 -0.07 0.00 -0.01 0.00 0.00 54.79 52.04 2qub n ASP 33 Cb 0.37 -0.64 0.01 0.00 -1.03 0.00 0.00 41.12 39.83 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 4.02 0.37 -0.70 -1.12 -0.00 -1.43 -0.20 115.58 116.51 2qub h ASN 34 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.26 2qub h ASN 34 Cb 1.73 -0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 39.95 2qub h ASN 34 CO 0.37 0.26 0.28 1.23 -0.00 0.00 0.00 177.43 179.58 2qub h GLY 35 N 0.46 1.14 1.08 1.57 0.00 -1.49 -2.16 103.07 103.67 2qub h GLY 35 Ca 0.16 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 2qub h GLY 35 CO -0.08 0.58 0.08 -2.75 0.00 0.00 0.00 176.54 174.37 2qub h PHE 36 N 1.04 1.19 0.04 5.60 3.57 -1.61 -0.39 116.94 126.39 2qub h PHE 36 Ca 0.24 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2qub h PHE 36 Cb 0.20 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2qub h PHE 36 CO 0.02 1.01 -0.14 0.22 -2.23 0.00 0.00 178.31 177.19 2qub h ASP 37 N 1.03 -0.40 -0.13 0.41 1.82 -0.71 0.15 116.42 118.60 2qub h ASP 37 Ca 0.20 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 2qub h ASP 37 Cb 0.48 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 2qub h ASP 37 CO 0.02 -0.20 0.05 -0.08 -1.61 0.00 0.00 179.24 177.42 2qub h GLU 38 N -0.26 0.20 0.00 0.28 4.81 -1.23 -2.45 114.58 115.93 2qub h GLU 38 Ca 0.03 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2qub h GLU 38 Cb 0.29 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2qub h GLU 38 CO -0.11 0.30 -0.12 0.78 -0.73 0.00 0.00 179.01 179.13 2qub h GLY 39 N 0.05 -0.14 0.60 1.92 0.00 -0.92 -1.28 103.07 103.30 2qub h GLY 39 Ca 0.04 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.55 2qub h GLY 39 CO -0.00 -0.12 -0.01 -1.82 0.00 0.00 0.00 176.54 174.58 2qub h TYR 40 N -0.20 -0.04 -0.23 5.60 3.20 -0.69 0.72 116.97 125.33 2qub h TYR 40 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2qub h TYR 40 Cb 0.25 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2qub h TYR 40 CO -0.18 -0.05 -0.12 0.45 -1.64 0.00 0.00 178.16 176.62 2qub h HIS 41 N 0.06 0.40 0.16 -3.82 3.86 -1.26 -0.20 115.15 114.35 2qub h HIS 41 Ca 0.11 -0.05 -0.29 0.00 -1.16 0.00 0.00 60.37 58.98 2qub h HIS 41 Cb 0.15 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 28.52 2qub h HIS 41 CO -0.21 0.49 -1.41 0.37 0.86 0.00 0.00 177.93 178.03 2qub h GLN 42 N 0.35 0.34 -0.00 2.45 4.15 -0.84 0.05 115.11 121.60 2qub h GLN 42 Ca 0.07 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2qub h GLN 42 Cb 0.43 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.33 2qub h GLN 42 CO 0.02 1.27 -0.00 0.25 -1.93 0.00 0.00 178.83 178.45 2qub n THR 43 N -3.84 0.00 -4.12 2.39 -2.24 0.21 -4.67 114.28 102.01 2qub n THR 43 Ca -0.22 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2qub n THR 43 Cb 0.96 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 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 0.68 -0.72 0.28 3.38 0.00 -0.09 -3.81 105.19 104.91 2qub n GLY 44 Ca 0.00 -1.15 0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.22 117.46 120.94 2qub n PHE 45 Ca 0.00 -0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.39 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 -0.42 1.59 0.30 7.13 0.00 -1.26 -4.72 105.19 107.81 2qub n GLY 46 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.80 0.99 3.38 -1.95 -1.03 115.31 115.89 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 0.02 -0.00 0.61 0.09 0.00 0.00 178.44 179.15 2qub n GLY 48 N -1.18 -0.17 0.36 0.83 0.00 -1.25 -4.47 105.19 99.32 2qub n GLY 48 Ca -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.64 2qub n GLY 48 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qub h LEU 49 N 1.96 0.95 -0.90 0.99 5.85 -1.35 -1.54 115.31 121.27 2qub h LEU 49 Ca 0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2qub h LEU 49 Cb 0.42 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 2qub h LEU 49 CO 0.00 0.55 0.55 -0.65 -0.34 0.00 0.00 178.44 178.55 2qub h PRO 50 N 1.05 0.89 -0.49 5.25 0.11 -1.82 -0.53 132.00 136.46 2qub h PRO 50 Ca 0.46 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.42 2qub h PRO 50 Cb 0.34 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 2qub h PRO 50 CO -0.22 0.59 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.00 2qub h LEU 51 N 0.92 0.88 -0.71 2.35 3.38 -1.63 -2.39 115.31 118.10 2qub h LEU 51 Ca 0.43 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2qub h LEU 51 Cb 0.35 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2qub h LEU 51 CO -0.24 0.98 0.44 0.74 0.09 0.00 0.00 178.44 180.46 2qub h THR 52 N 0.80 1.20 -0.23 0.22 2.02 -0.75 -1.58 112.91 114.58 2qub h THR 52 Ca 0.14 -0.42 -0.13 0.00 0.77 0.00 0.00 66.41 66.77 2qub h THR 52 Cb 0.59 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2qub h THR 52 CO 0.04 0.20 -0.41 -0.07 0.37 0.00 0.00 175.52 175.64 2qub h LEU 53 N 0.97 0.59 -0.38 2.58 3.38 -0.87 -0.57 115.31 121.02 2qub h LEU 53 Ca 0.26 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2qub h LEU 53 Cb -0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2qub h LEU 53 CO -0.05 0.93 -0.09 0.40 0.09 0.00 0.00 178.44 179.73 2qub h ILE 54 N 0.46 1.28 -0.73 1.22 2.04 -1.24 -2.60 117.51 117.93 2qub h ILE 54 Ca 0.04 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 2qub h ILE 54 Cb 0.92 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2qub h ILE 54 CO 0.08 0.38 0.45 0.74 0.00 0.00 0.00 178.15 179.80 2qub h THR 55 N 0.52 1.20 -0.42 -0.27 2.02 -1.14 -1.25 112.91 113.58 2qub h THR 55 Ca 0.10 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2qub h THR 55 Cb 0.60 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2qub h THR 55 CO 0.04 0.21 0.28 0.00 0.37 0.00 0.00 175.52 176.42 2qub h ALA 56 N 1.49 2.02 0.12 6.16 0.00 -0.80 0.69 119.26 128.94 2qub h ALA 56 Ca 0.26 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 2qub h ALA 56 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qub h ALA 56 CO -0.05 -0.10 -1.58 -0.07 0.00 0.00 0.00 179.25 177.45 2qub h LEU 57 N 0.29 0.41 -1.24 0.00 3.38 -0.94 -1.26 115.31 115.95 2qub h LEU 57 Ca 0.19 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2qub h LEU 57 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2qub h LEU 57 CO -0.04 1.69 0.00 2.30 0.09 0.00 0.00 178.44 182.48 2qub n ILE 58 N -3.81 0.18 -4.92 1.22 -5.35 -0.56 -1.56 119.36 104.55 2qub n ILE 58 Ca -0.27 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 2qub n ILE 58 Cb 0.95 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.88 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 -0.09 1.49 0.00 3.28 0.00 0.23 -4.40 105.19 105.71 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 -2.09 0.00 0.04 1.61 3.41 -0.01 -4.74 113.62 111.84 2qub n SER 60 Ca 0.00 -0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 2qub n SER 60 Cb 0.00 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.44 0.47 6.66 -2.24 -1.26 -3.70 114.28 114.65 2qub n THR 61 Ca 0.00 0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 2qub n THR 61 Cb 0.00 -0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 67.46 2qub n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qub n GLN 62 N -1.75 2.80 -3.87 -0.78 6.02 -1.26 -4.25 117.38 114.29 2qub n GLN 62 Ca 0.05 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.94 2qub n GLN 62 Cb 0.31 -1.08 -0.08 0.00 1.02 0.00 0.00 30.24 30.42 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 -2.26 0.13 -0.16 1.08 1.04 -1.24 -4.86 113.70 107.41 2qub s SER 63 Ca 0.03 -0.62 -0.00 0.00 0.48 0.00 0.00 55.95 55.84 2qub s SER 63 Cb 0.09 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 2qub s SER 63 CO 0.48 -0.68 -0.14 -1.58 0.98 0.00 0.00 173.24 172.30 2qub s GLN 64 N -3.59 3.25 0.00 4.02 0.74 -1.26 -0.83 119.66 121.99 2qub s GLN 64 Ca 0.03 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.71 2qub s GLN 64 Cb 0.04 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.47 2qub s GLN 64 CO -0.09 -0.00 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 2qub n GLY 65 N 4.13 -0.29 0.22 2.59 0.00 -1.26 -1.46 105.19 109.12 2qub n GLY 65 Ca -0.19 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 -4.62 -0.02 0.00 -0.80 -3.44 103.07 94.20 2qub h GLY 66 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2qub h GLY 66 CO 0.00 0.00 0.27 -2.27 0.00 0.00 0.00 176.54 174.54 2qub s LEU 67 N -8.11 4.36 0.63 3.11 2.96 -0.60 -4.76 118.68 116.26 2qub s LEU 67 Ca -0.03 1.50 -0.08 0.00 -0.22 0.00 0.00 54.13 55.30 2qub s LEU 67 Cb 0.14 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.45 2qub s LEU 67 CO 0.68 -0.20 0.96 -2.16 -1.32 0.00 0.00 176.35 174.31 2qub s PRO 68 N 0.89 2.90 0.00 0.98 0.04 -1.26 -4.59 135.00 133.95 2qub s PRO 68 Ca 0.47 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2qub s PRO 68 Cb -0.20 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2qub s PRO 68 CO 0.25 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2qub n GLY 69 N -2.71 0.60 3.63 0.56 0.00 -1.26 -5.02 105.19 100.98 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 4.07 0.52 0.99 1.43 -1.26 -4.96 118.68 119.47 2qub s LEU 70 Ca 0.00 0.75 0.17 0.00 -1.03 0.00 0.00 54.13 54.02 2qub s LEU 70 Cb 0.00 -2.91 1.30 0.00 0.03 0.00 0.00 46.19 44.61 2qub s LEU 70 CO 0.00 -0.40 2.15 -0.65 0.23 0.00 0.00 176.35 177.68 2qub h PRO 71 N 7.87 0.00 0.00 1.29 0.11 -2.00 -2.28 132.00 136.99 2qub h PRO 71 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2qub h PRO 71 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qub h PRO 71 CO 0.79 0.00 -0.07 0.11 -0.21 0.00 0.00 178.00 178.62 2qub h TRP 72 N 0.00 0.00 -4.06 0.65 0.09 -1.93 -3.46 115.95 107.24 2qub h TRP 72 Ca -0.00 0.00 -0.48 0.00 0.09 0.00 0.00 58.89 58.50 2qub h TRP 72 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 29.16 29.29 2qub h TRP 72 CO 0.00 0.00 0.41 -0.80 0.09 0.00 0.00 178.44 178.14 2qub s ASN 73 N -4.81 6.15 0.79 0.11 0.02 -0.86 -4.12 114.94 112.21 2qub s ASN 73 Ca 0.09 2.05 -0.11 0.00 -1.02 0.00 0.00 52.86 53.87 2qub s ASN 73 Cb 0.11 -2.57 0.06 0.00 0.02 0.00 0.00 41.25 38.87 2qub s ASN 73 CO 0.62 -0.92 1.09 -2.16 0.02 0.00 0.00 177.10 175.75 2qub s PRO 74 N -3.16 2.15 -1.03 -0.60 0.04 -1.26 -4.96 135.00 126.17 2qub s PRO 74 Ca 0.68 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 62.39 2qub s PRO 74 Cb -0.20 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.51 2qub s PRO 74 CO 0.24 -1.64 1.40 0.34 0.04 0.00 0.00 177.00 177.38 2qub s ASP 75 N -3.65 6.58 0.54 6.66 -1.08 -1.26 -4.59 116.67 119.88 2qub s ASP 75 Ca 0.61 -1.75 0.32 0.00 -0.52 0.00 0.00 52.55 51.21 2qub s ASP 75 Cb -0.16 -2.52 1.23 0.00 -1.46 0.00 0.00 42.92 40.01 2qub s ASP 75 CO 0.55 -1.34 1.94 0.77 0.52 0.00 0.00 175.17 177.61 2qub h SER 76 N 9.26 0.00 0.09 -0.34 4.64 -1.94 -2.84 113.55 122.42 2qub h SER 76 Ca 0.22 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.31 2qub h SER 76 Cb 0.99 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2qub h SER 76 CO 1.35 0.00 -0.89 -0.33 -0.87 0.00 0.00 176.83 176.09 2qub h GLU 77 N 0.00 0.61 -0.89 4.77 5.08 -1.88 -0.95 114.58 121.32 2qub h GLU 77 Ca 0.00 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 2qub h GLU 77 Cb 0.58 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2qub h GLU 77 CO 0.00 1.19 0.51 0.37 -1.00 0.00 0.00 179.01 180.09 2qub h GLN 78 N 0.38 1.22 -0.77 2.33 4.15 -1.91 -1.13 115.11 119.37 2qub h GLN 78 Ca -0.08 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 2qub h GLN 78 Cb 1.52 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.93 2qub h GLN 78 CO 0.17 0.87 0.34 0.00 -1.93 0.00 0.00 178.83 178.28 2qub h ALA 79 N 1.33 1.00 -0.33 3.38 0.00 -1.30 -0.43 119.26 122.91 2qub h ALA 79 Ca 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qub h ALA 79 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2qub h ALA 79 CO -0.06 0.59 0.21 0.00 0.00 0.00 0.00 179.25 179.99 2qub h ALA 80 N 1.17 0.42 -0.82 0.00 0.00 -0.76 -1.73 119.26 117.56 2qub h ALA 80 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2qub h ALA 80 Cb 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2qub h ALA 80 CO -0.03 -0.09 0.42 0.37 0.00 0.00 0.00 179.25 179.92 2qub h GLN 81 N 0.43 1.15 -0.57 0.00 4.15 -0.88 -2.20 115.11 117.20 2qub h GLN 81 Ca 0.12 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2qub h GLN 81 Cb -0.01 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 2qub h GLN 81 CO -0.02 0.87 0.36 1.49 -1.93 0.00 0.00 178.83 179.60 2qub h GLU 82 N 1.14 0.76 0.06 1.69 4.81 -0.87 -0.21 114.58 121.96 2qub h GLU 82 Ca 0.28 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2qub h GLU 82 Cb 0.07 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2qub h GLU 82 CO -0.04 0.52 -0.03 0.00 -0.73 0.00 0.00 179.01 178.73 2qub h ALA 83 N 1.19 -0.08 -0.49 2.92 0.00 -0.98 -0.24 119.26 121.59 2qub h ALA 83 Ca 0.21 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2qub h ALA 83 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qub h ALA 83 CO -0.04 -0.51 -0.17 -0.24 0.00 0.00 0.00 179.25 178.29 2qub h VAL 84 N -0.15 1.27 -0.78 0.00 3.04 -1.28 -2.28 116.25 116.06 2qub h VAL 84 Ca -0.01 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 64.33 2qub h VAL 84 Cb 0.13 1.07 -0.04 0.00 -2.01 0.00 0.00 31.29 30.44 2qub h VAL 84 CO 0.01 0.46 0.37 0.78 -1.01 0.00 0.00 177.57 178.18 2qub h ASN 85 N 0.84 1.03 0.37 3.17 -0.26 -0.96 -2.14 115.58 117.63 2qub h ASN 85 Ca 0.12 -0.14 -0.05 0.00 -0.56 0.00 0.00 56.30 55.67 2qub h ASN 85 Cb 0.73 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 2qub h ASN 85 CO 0.06 0.88 -0.25 0.78 -1.06 0.00 0.00 177.43 177.84 2qub h ASN 86 N 1.11 0.00 0.23 5.81 2.35 -0.84 -0.94 115.58 123.30 2qub h ASN 86 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2qub h ASN 86 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2qub h ASN 86 CO -0.03 0.25 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 2qub n ALA 87 N -2.40 2.45 0.00 -0.83 0.00 -0.88 -4.89 120.51 113.96 2qub n ALA 87 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2qub n ALA 87 Cb 0.32 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 0.85 1.01 3.30 0.00 0.00 -0.36 -4.95 105.19 105.04 2qub n GLY 88 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 2.68 -0.04 1.61 0.52 -0.85 -4.28 118.94 116.58 2qub s TRP 89 Ca 0.00 -0.84 0.07 0.00 0.02 0.00 0.00 56.10 55.34 2qub s TRP 89 Cb 0.00 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 2qub s TRP 89 CO 0.00 -0.31 -0.25 -1.12 0.02 0.00 0.00 176.95 175.29 2qub s SER 90 N 0.34 2.97 0.34 2.95 0.01 -0.23 -3.21 113.70 116.87 2qub s SER 90 Ca -0.15 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.34 2qub s SER 90 Cb -0.17 -0.64 -0.11 0.00 0.21 0.00 0.00 66.02 65.31 2qub s SER 90 CO 0.07 0.26 1.51 0.52 0.41 0.00 0.00 173.24 176.02 2qub n VAL 91 N 2.78 1.64 -4.01 3.43 0.31 -1.26 0.48 118.33 121.70 2qub n VAL 91 Ca -0.17 -0.41 -0.35 0.00 -0.01 0.00 0.00 64.34 63.40 2qub n VAL 91 Cb 0.52 -1.94 -0.09 0.00 -0.91 0.00 0.00 33.84 31.41 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 -0.71 4.84 0.53 2.52 1.01 0.63 -4.81 121.20 125.21 2qub s ILE 92 Ca 0.57 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 61.08 2qub s ILE 92 Cb -0.49 -3.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 2qub s ILE 92 CO 0.58 0.48 0.95 -0.94 0.00 0.00 0.00 174.94 176.01 2qub s SER 93 N 0.17 6.44 0.36 3.58 1.04 -1.26 -4.78 113.70 119.26 2qub s SER 93 Ca 0.05 1.39 0.06 0.00 0.48 0.00 0.00 55.95 57.93 2qub s SER 93 Cb -0.12 -2.44 0.74 0.00 0.10 0.00 0.00 66.02 64.30 2qub s SER 93 CO 0.00 -0.65 1.96 0.00 0.98 0.00 0.00 173.24 175.53 2qub h ALA 94 N 0.49 1.71 -0.53 5.32 0.00 -1.91 -1.35 119.26 122.99 2qub h ALA 94 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2qub h ALA 94 Cb 1.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2qub h ALA 94 CO 0.62 0.18 0.30 1.15 0.00 0.00 0.00 179.25 181.50 2qub h THR 95 N 0.75 1.17 -0.52 0.00 2.02 -1.93 0.16 112.91 114.56 2qub h THR 95 Ca 0.31 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 2qub h THR 95 Cb 0.26 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2qub h THR 95 CO -0.10 0.18 0.15 1.56 0.37 0.00 0.00 175.52 177.68 2qub h GLN 96 N 0.70 0.79 0.00 6.66 4.20 -1.65 -2.69 115.11 123.12 2qub h GLN 96 Ca 0.19 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2qub h GLN 96 Cb 0.03 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2qub h GLN 96 CO -0.03 0.69 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.57 2qub h LEU 97 N 0.77 0.00 0.70 1.46 3.38 -0.97 -3.48 115.31 117.17 2qub h LEU 97 Ca 0.17 -0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.85 2qub h LEU 97 Cb 0.25 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.03 2qub h LEU 97 CO -0.01 0.02 -0.37 0.61 0.09 0.00 0.00 178.44 178.78 2qub n GLY 98 N 1.26 -0.09 3.74 0.83 0.00 0.38 -4.82 105.19 106.49 2qub n GLY 98 Ca 0.04 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2qub n GLY 98 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qub s TYR 99 N -2.88 3.62 -2.41 1.61 5.04 -0.18 -4.98 117.35 117.18 2qub s TYR 99 Ca 0.15 1.20 0.24 0.00 -2.44 0.00 0.00 57.07 56.22 2qub s TYR 99 Cb -0.07 -2.69 0.28 0.00 0.35 0.00 0.00 41.96 39.83 2qub s TYR 99 CO 0.19 0.22 1.29 0.00 -1.34 0.00 0.00 175.55 175.90 2qub n ALA 100 N 3.27 2.99 -1.30 3.97 0.00 -1.26 -4.76 120.51 123.42 2qub n ALA 100 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2qub n ALA 100 Cb 0.51 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 1.36 -0.20 3.72 0.00 0.00 -1.26 -5.05 105.19 103.75 2qub n GLY 101 Ca 0.12 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 2qub n GLY 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qub s LYS 102 N -0.27 4.32 0.14 1.61 2.20 -1.26 -5.05 119.74 121.42 2qub s LYS 102 Ca 0.00 0.35 0.05 0.00 -0.36 0.00 0.00 55.97 56.01 2qub s LYS 102 Cb 0.00 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2qub s LYS 102 CO 0.00 0.18 -0.11 0.95 -0.36 0.00 0.00 175.35 176.01 2qub s THR 103 N 0.58 1.17 0.40 3.43 -4.23 -1.26 -1.69 115.64 114.04 2qub s THR 103 Ca 0.23 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 2qub s THR 103 Cb -0.15 -1.74 0.06 0.00 1.34 0.00 0.00 72.50 72.02 2qub s THR 103 CO 0.09 -0.67 0.53 -0.90 -0.54 0.00 0.00 174.62 173.12 2qub n ASP 104 N 0.01 1.58 0.13 3.99 5.68 -0.62 -4.95 116.55 122.36 2qub n ASP 104 Ca -0.12 -2.11 0.11 0.00 -0.50 0.00 0.00 54.79 52.18 2qub n ASP 104 Cb 0.60 -0.26 0.49 0.00 -1.14 0.00 0.00 41.12 40.81 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 -2.49 1.54 1.32 2.12 0.00 -1.26 -1.19 120.51 120.54 2qub n ALA 105 Ca -0.10 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2qub n ALA 105 Cb 0.42 -1.36 0.38 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.20 1.43 -0.50 0.00 1.74 -1.26 -4.94 116.66 110.93 2qub n ARG 106 Ca 0.01 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.17 2qub n ARG 106 Cb 0.19 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 1.27 0.75 3.76 -0.13 0.00 -0.33 -5.05 105.19 105.46 2qub n GLY 107 Ca 0.15 0.00 -0.41 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 -2.83 2.82 -0.03 2.61 2.01 -1.26 -4.76 115.64 114.20 2qub s THR 108 Ca 0.00 0.76 -0.13 0.00 0.31 0.00 0.00 61.69 62.63 2qub s THR 108 Cb 0.00 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2qub s THR 108 CO 0.00 0.16 0.36 -0.31 -0.69 0.00 0.00 174.62 174.14 2qub s TYR 109 N -0.68 3.69 0.09 4.92 2.02 -0.15 -1.58 117.35 125.66 2qub s TYR 109 Ca 0.52 0.90 0.05 0.00 -0.37 0.00 0.00 57.07 58.17 2qub s TYR 109 Cb -0.39 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 2qub s TYR 109 CO 0.48 0.63 0.01 0.71 -1.57 0.00 0.00 175.55 175.81 2qub s TYR 110 N -0.96 3.02 0.43 2.71 2.02 -0.68 -1.09 117.35 122.80 2qub s TYR 110 Ca 0.22 -0.01 -0.24 0.00 -0.37 0.00 0.00 57.07 56.67 2qub s TYR 110 Cb -0.16 -1.55 -0.10 0.00 -0.40 0.00 0.00 41.96 39.75 2qub s TYR 110 CO 0.11 0.49 1.04 0.41 -1.57 0.00 0.00 175.55 176.03 2qub n GLY 111 N 0.54 -0.13 0.08 0.71 0.00 -0.44 -4.69 105.19 101.25 2qub n GLY 111 Ca -0.10 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.06 0.66 -4.07 1.61 1.02 0.41 -4.35 120.64 115.98 2qub n GLU 112 Ca 0.09 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.98 2qub n GLU 112 Cb 0.40 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.78 4.44 0.19 2.62 2.01 -1.22 -4.99 115.64 115.91 2qub s THR 113 Ca -0.08 -0.87 -0.33 0.00 0.31 0.00 0.00 61.69 60.72 2qub s THR 113 Cb 0.08 -3.17 -0.13 0.00 0.01 0.00 0.00 72.50 69.29 2qub s THR 113 CO 0.84 0.07 1.61 0.00 -0.69 0.00 0.00 174.62 176.45 2qub n ALA 114 N 0.29 1.85 -0.08 7.40 0.00 -1.26 -1.07 120.51 127.64 2qub n ALA 114 Ca -0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2qub n ALA 114 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 3.47 0.53 0.05 0.00 0.00 -1.26 -4.86 105.19 103.12 2qub n GLY 115 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 1.06 1.61 4.01 -0.23 -4.85 117.16 116.76 2qub n TYR 116 Ca 0.00 -0.29 0.11 0.00 -0.16 0.00 0.00 57.90 57.56 2qub n TYR 116 Cb 0.00 -0.04 0.56 0.00 -0.31 0.00 0.00 39.34 39.55 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 -0.33 0.29 0.60 -0.72 -2.24 -1.20 -1.64 114.28 109.03 2qub n THR 117 Ca 0.01 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 2qub n THR 117 Cb 0.43 -0.71 0.18 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.27 0.31 -2.16 4.28 -2.24 -1.26 -4.20 114.28 107.74 2qub n THR 118 Ca 0.11 -0.64 -0.38 0.00 -2.27 0.00 0.00 64.05 60.86 2qub n THR 118 Cb 0.17 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.69 3.08 0.01 6.98 0.00 -0.65 -4.83 121.76 124.65 2qub s ALA 119 Ca 0.35 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.42 2qub s ALA 119 Cb 0.22 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 2qub s ALA 119 CO 0.31 -0.75 -0.13 -0.65 0.00 0.00 0.00 175.76 174.54 2qub s GLN 120 N -2.49 0.97 0.04 0.00 1.11 -1.26 -1.33 119.66 116.69 2qub s GLN 120 Ca 0.61 -0.60 0.01 0.00 0.01 0.00 0.00 55.36 55.39 2qub s GLN 120 Cb -0.33 -0.95 -0.03 0.00 -1.01 0.00 0.00 33.01 30.69 2qub s GLN 120 CO 0.41 0.25 -0.05 0.00 0.01 0.00 0.00 175.29 175.91 2qub s ALA 121 N -0.57 0.46 0.00 6.09 0.00 -0.25 -1.40 121.76 126.09 2qub s ALA 121 Ca 0.03 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.16 2qub s ALA 121 Cb -0.06 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2qub s ALA 121 CO 0.00 -0.18 -0.20 -1.21 0.00 0.00 0.00 175.76 174.18 2qub s GLU 122 N -2.41 2.17 -0.17 0.00 0.41 0.51 -0.97 118.70 118.23 2qub s GLU 122 Ca -0.05 -0.90 0.01 0.00 -0.41 0.00 0.00 54.97 53.61 2qub s GLU 122 Cb -0.04 -2.19 0.03 0.00 -1.78 0.00 0.00 34.13 30.16 2qub s GLU 122 CO -0.03 0.57 -0.13 0.08 -0.49 0.00 0.00 175.26 175.26 2qub s VAL 123 N -0.79 1.62 0.22 2.63 1.01 -1.26 -1.65 120.40 122.18 2qub s VAL 123 Ca 0.12 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.39 2qub s VAL 123 Cb -0.10 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2qub s VAL 123 CO 0.02 0.33 -0.17 -0.76 0.00 0.00 0.00 175.10 174.52 2qub s LEU 124 N 1.44 2.53 0.12 3.92 1.02 0.40 -0.27 118.68 127.84 2qub s LEU 124 Ca 0.02 -0.98 0.09 0.00 0.02 0.00 0.00 54.13 53.29 2qub s LEU 124 Cb -0.14 -0.85 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 2qub s LEU 124 CO -0.10 -0.07 -0.23 -0.83 0.02 0.00 0.00 176.35 175.14 2qub s GLY 125 N -3.19 1.39 -0.09 -3.19 0.00 0.18 -0.53 107.32 101.89 2qub s GLY 125 Ca 0.23 -1.36 0.04 0.00 0.00 0.00 0.00 44.72 43.64 2qub s GLY 125 CO 0.09 -1.36 -0.24 1.25 0.00 0.00 0.00 173.10 172.85 2qub s LYS 126 N -2.04 2.89 0.12 2.90 2.20 -0.63 -1.07 119.74 124.12 2qub s LYS 126 Ca 0.10 -0.87 0.10 0.00 -0.36 0.00 0.00 55.97 54.94 2qub s LYS 126 Cb -0.10 -2.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 2qub s LYS 126 CO 0.05 0.26 -0.24 0.71 -0.36 0.00 0.00 175.35 175.78 2qub s TYR 127 N 0.15 2.04 0.93 4.03 2.02 -1.26 0.01 117.35 125.27 2qub s TYR 127 Ca -0.13 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.03 2qub s TYR 127 Cb -0.16 -1.10 0.18 0.00 -0.40 0.00 0.00 41.96 40.48 2qub s TYR 127 CO 0.07 0.29 1.28 0.16 -1.57 0.00 0.00 175.55 175.78 2qub s ASP 128 N -2.06 3.33 -1.22 2.29 1.47 -0.30 -4.89 116.67 115.30 2qub s ASP 128 Ca 0.11 0.24 -0.15 0.00 1.18 0.00 0.00 52.55 53.93 2qub s ASP 128 Cb -0.10 -0.34 -0.05 0.00 -0.34 0.00 0.00 42.92 42.09 2qub s ASP 128 CO 0.05 -2.59 2.25 -1.54 0.68 0.00 0.00 175.17 174.02 2qub n SER 129 N -3.64 4.42 0.00 2.11 3.41 -1.26 -1.87 113.62 116.78 2qub n SER 129 Ca 0.15 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2qub n SER 129 Cb 0.60 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 5.70 0.00 -0.47 4.33 1.02 -1.26 -5.00 120.64 124.96 2qub n GLU 130 Ca 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2qub n GLU 130 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 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 0.00 0.75 3.74 0.62 0.00 -0.78 -5.06 105.19 104.46 2qub n GLY 131 Ca 0.00 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.10 7.07 0.21 1.61 0.01 -1.26 -4.84 114.94 115.64 2qub s ASN 132 Ca 0.00 1.28 -0.31 0.00 -0.71 0.00 0.00 52.86 53.12 2qub s ASN 132 Cb 0.00 -2.42 -0.10 0.00 0.41 0.00 0.00 41.25 39.14 2qub s ASN 132 CO 0.00 -0.01 1.50 -0.22 -1.51 0.00 0.00 177.10 176.87 2qub s LEU 133 N 0.21 4.38 -0.00 0.60 2.96 -1.26 -1.15 118.68 124.41 2qub s LEU 133 Ca 0.36 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.93 2qub s LEU 133 Cb -0.19 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.89 2qub s LEU 133 CO 0.20 -0.77 -0.00 0.41 -1.32 0.00 0.00 176.35 174.87 2qub n THR 134 N 3.05 0.03 -3.65 3.68 -1.04 0.10 -4.89 114.28 111.55 2qub n THR 134 Ca 0.10 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.98 2qub n THR 134 Cb 0.39 -0.84 -0.05 0.00 -1.82 0.00 0.00 70.33 68.01 2qub n THR 134 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qub s ALA 135 N -2.01 -0.93 0.01 2.41 0.00 -1.13 -4.93 121.76 115.18 2qub s ALA 135 Ca -0.00 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.11 2qub s ALA 135 Cb 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2qub s ALA 135 CO 0.01 -0.56 -0.23 0.42 0.00 0.00 0.00 175.76 175.41 2qub s ILE 136 N -3.25 1.82 -0.06 0.00 1.01 -0.64 -1.60 121.20 118.48 2qub s ILE 136 Ca -0.00 -1.11 0.06 0.00 0.00 0.00 0.00 60.65 59.59 2qub s ILE 136 Cb 0.01 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2qub s ILE 136 CO -0.08 0.39 -0.23 -0.83 0.00 0.00 0.00 174.94 174.19 2qub s GLY 137 N -0.85 1.22 -0.16 6.18 0.00 0.30 -1.12 107.32 112.91 2qub s GLY 137 Ca 0.09 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.85 2qub s GLY 137 CO 0.00 -0.55 -0.17 -0.42 0.00 0.00 0.00 173.10 171.96 2qub s ILE 138 N -0.07 1.79 -0.07 0.90 1.01 -0.06 -0.46 121.20 124.24 2qub s ILE 138 Ca -0.05 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.85 2qub s ILE 138 Cb -0.14 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.69 2qub s ILE 138 CO 0.04 0.50 -0.18 -0.55 0.00 0.00 0.00 174.94 174.75 2qub s SER 139 N 1.32 2.35 -0.14 3.58 0.15 -0.66 -1.02 113.70 119.29 2qub s SER 139 Ca 0.03 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.22 2qub s SER 139 Cb -0.13 -1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 63.13 2qub s SER 139 CO -0.10 0.10 0.06 -0.36 1.20 0.00 0.00 173.24 174.14 2qub s PHE 140 N 0.43 3.31 0.36 3.44 0.08 -0.61 -0.37 117.98 124.63 2qub s PHE 140 Ca -0.14 0.22 -0.25 0.00 0.12 0.00 0.00 56.93 56.87 2qub s PHE 140 Cb -0.16 -1.96 -0.10 0.00 -0.57 0.00 0.00 43.02 40.23 2qub s PHE 140 CO 0.05 0.39 1.00 0.50 -0.10 0.00 0.00 175.22 177.06 2qub s ARG 141 N -0.33 4.36 0.00 0.44 3.52 -0.49 -3.81 118.95 122.64 2qub s ARG 141 Ca 0.09 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 2qub s ARG 141 Cb -0.12 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.62 2qub s ARG 141 CO 0.02 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 2qub n GLY 142 N 0.40 -1.09 3.75 8.12 0.00 -1.19 -3.28 105.19 111.89 2qub n GLY 142 Ca 0.04 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.50 2.42 0.00 2.61 2.01 -1.26 -4.78 115.64 116.14 2qub s THR 143 Ca 0.00 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2qub s THR 143 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2qub s THR 143 CO 0.00 0.06 0.00 -1.54 -0.69 0.00 0.00 174.62 172.45 2qub n SER 144 N 2.33 0.00 -0.78 3.53 3.41 -1.26 -5.06 113.62 115.79 2qub n SER 144 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2qub n SER 144 Cb 0.39 0.00 0.00 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 -0.93 2.19 3.69 5.00 0.00 -1.26 -4.73 105.19 109.15 2qub n GLY 145 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 2.01 -0.33 1.61 -0.02 -1.26 -4.71 135.00 132.30 2qub n PRO 146 Ca 0.00 0.71 0.20 0.00 -2.02 0.00 0.00 63.50 62.38 2qub n PRO 146 Cb 0.00 -2.29 0.45 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.39 0.49 0.00 -0.52 3.08 -1.97 -1.03 114.38 116.81 2qub h ARG 147 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2qub h ARG 147 Cb 1.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2qub h ARG 147 CO 0.62 0.32 0.00 0.93 -1.07 0.00 0.00 179.97 180.77 2qub h GLU 148 N 0.50 0.00 -0.12 0.04 3.07 -1.90 -2.97 114.58 113.20 2qub h GLU 148 Ca 0.59 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.28 2qub h GLU 148 Cb 1.31 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.93 2qub h GLU 148 CO -0.34 0.00 -0.89 -1.13 -1.40 0.00 0.00 179.01 175.26 2qub n SER 149 N -2.92 1.60 -0.02 1.42 3.41 -0.47 -4.96 113.62 111.67 2qub n SER 149 Ca 0.00 -2.67 -0.09 0.00 -0.26 0.00 0.00 58.87 55.85 2qub n SER 149 Cb 0.24 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 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 1.33 -0.27 0.28 1.04 5.85 -1.16 -1.02 115.31 121.36 2qub h LEU 150 Ca -0.11 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2qub h LEU 150 Cb 1.53 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.71 2qub h LEU 150 CO 0.14 -0.11 -0.13 0.40 -0.34 0.00 0.00 178.44 178.39 2qub h ILE 151 N -0.07 0.76 -0.82 4.05 2.04 -1.89 -0.77 117.51 120.82 2qub h ILE 151 Ca 0.09 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2qub h ILE 151 Cb 0.20 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2qub h ILE 151 CO -0.20 0.09 0.51 1.23 0.00 0.00 0.00 178.15 179.77 2qub h GLY 152 N -0.61 1.19 0.92 5.37 0.00 -1.97 -1.66 103.07 106.32 2qub h GLY 152 Ca -0.04 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 2qub h GLY 152 CO 0.06 0.47 0.01 -1.80 0.00 0.00 0.00 176.54 175.29 2qub h ASP 153 N 1.13 0.62 -0.86 0.19 3.58 -1.14 -2.75 116.42 117.19 2qub h ASP 153 Ca 0.30 -0.30 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2qub h ASP 153 Cb -0.06 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 40.78 2qub h ASP 153 CO -0.06 0.77 0.56 0.74 -2.88 0.00 0.00 179.24 178.37 2qub h THR 154 N 0.46 1.17 -0.55 2.25 2.02 -0.84 -1.95 112.91 115.46 2qub h THR 154 Ca 0.10 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2qub h THR 154 Cb 0.45 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2qub h THR 154 CO 0.02 0.20 0.31 0.40 0.37 0.00 0.00 175.52 176.82 2qub h ILE 155 N 1.11 1.01 -0.63 3.11 2.04 -1.15 0.14 117.51 123.13 2qub h ILE 155 Ca 0.33 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 66.02 2qub h ILE 155 Cb -0.04 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 2qub h ILE 155 CO -0.10 0.11 0.37 1.23 0.00 0.00 0.00 178.15 179.76 2qub h GLY 156 N 0.61 0.90 0.99 5.37 0.00 -1.15 -2.15 103.07 107.65 2qub h GLY 156 Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2qub h GLY 156 CO -0.13 0.20 0.28 -0.55 0.00 0.00 0.00 176.54 176.34 2qub h ASP 157 N 0.70 0.79 -0.94 0.19 3.32 -0.61 -2.45 116.42 117.43 2qub h ASP 157 Ca 0.26 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2qub h ASP 157 Cb 0.09 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2qub h ASP 157 CO -0.14 0.70 0.62 0.58 -1.72 0.00 0.00 179.24 179.29 2qub h VAL 158 N 0.82 1.24 -0.44 -1.35 2.07 -0.35 0.38 116.25 118.63 2qub h VAL 158 Ca 0.21 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2qub h VAL 158 Cb 0.13 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 2qub h VAL 158 CO -0.02 0.23 0.25 0.40 0.02 0.00 0.00 177.57 178.44 2qub h ILE 159 N 1.28 1.15 -0.81 4.57 2.04 -1.12 0.35 117.51 124.97 2qub h ILE 159 Ca 0.35 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2qub h ILE 159 Cb -0.15 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2qub h ILE 159 CO -0.07 0.16 0.50 0.78 0.00 0.00 0.00 178.15 179.52 2qub h ASN 160 N 0.58 0.96 -0.57 1.72 -0.26 -0.90 -1.06 115.58 116.06 2qub h ASN 160 Ca 0.16 -0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.87 2qub h ASN 160 Cb 0.04 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.02 2qub h ASN 160 CO -0.03 0.73 0.35 0.44 -1.06 0.00 0.00 177.43 177.86 2qub h ASP 161 N 1.11 0.56 -0.49 5.81 3.32 -0.49 -1.51 116.42 124.73 2qub h ASP 161 Ca 0.29 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.22 2qub h ASP 161 Cb -0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2qub h ASP 161 CO -0.06 0.40 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.62 2qub h LEU 162 N 0.68 1.00 -1.21 1.55 3.38 -0.59 -2.61 115.31 117.51 2qub h LEU 162 Ca 0.23 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2qub h LEU 162 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2qub h LEU 162 CO -0.10 1.16 0.19 -0.07 0.09 0.00 0.00 178.44 179.72 2qub h LEU 163 N 0.85 0.68 -0.84 1.67 3.38 -1.00 0.87 115.31 120.91 2qub h LEU 163 Ca 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2qub h LEU 163 Cb 0.74 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2qub h LEU 163 CO 0.06 0.62 0.34 0.00 0.09 0.00 0.00 178.44 179.56 2qub h ALA 164 N 1.48 1.08 0.20 1.53 0.00 -0.99 0.80 119.26 123.36 2qub h ALA 164 Ca 0.18 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2qub h ALA 164 Cb 0.16 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.66 2qub h ALA 164 CO -0.02 0.66 -1.39 0.78 0.00 0.00 0.00 179.25 179.29 2qub h GLY 165 N 1.18 0.49 0.00 0.00 0.00 -1.12 -3.42 103.07 100.21 2qub h GLY 165 Ca 0.27 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 46.34 2qub h GLY 165 CO -0.03 1.10 0.00 0.69 0.00 0.00 0.00 176.54 178.31 2qub n PHE 166 N -3.64 0.00 -1.68 5.60 3.72 0.27 -4.59 117.46 117.14 2qub n PHE 166 Ca -0.13 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2qub n PHE 166 Cb 1.07 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 -0.10 1.87 3.63 1.37 0.00 0.27 -4.96 105.19 107.28 2qub n GLY 167 Ca 0.00 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 2qub n GLY 167 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qub n PRO 168 N 0.00 1.07 0.24 1.61 -0.02 -1.26 -4.88 135.00 131.76 2qub n PRO 168 Ca 0.00 0.40 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 2qub n PRO 168 Cb 0.00 -2.21 0.64 0.00 -0.02 0.00 0.00 33.50 31.90 2qub n PRO 168 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2qub h LYS 169 N 0.75 0.02 -0.51 -0.52 1.57 -1.97 -1.96 116.57 113.95 2qub h LYS 169 Ca -0.48 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2qub h LYS 169 Cb 1.35 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2qub h LYS 169 CO 0.52 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.83 2qub n GLY 170 N -1.54 1.57 0.22 3.86 0.00 -1.26 -4.64 105.19 103.41 2qub n GLY 170 Ca -0.02 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 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 3.42 -0.46 -0.42 1.61 3.20 -1.69 -2.12 116.97 120.52 2qub h TYR 171 Ca 0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2qub h TYR 171 Cb 0.78 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 2qub h TYR 171 CO 0.34 -0.22 0.08 0.00 -1.64 0.00 0.00 178.16 176.71 2qub h ALA 172 N -0.01 0.45 -0.18 1.82 0.00 -1.82 -1.89 119.26 117.63 2qub h ALA 172 Ca -0.05 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qub h ALA 172 Cb 0.44 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qub h ALA 172 CO 0.08 -0.33 0.12 -0.44 0.00 0.00 0.00 179.25 178.69 2qub h ASP 173 N 0.20 0.19 0.87 0.00 3.32 -1.85 -2.66 116.42 116.49 2qub h ASP 173 Ca 0.20 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2qub h ASP 173 Cb 0.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2qub h ASP 173 CO -0.27 0.14 -0.35 0.61 -1.72 0.00 0.00 179.24 177.65 2qub n GLY 174 N -1.52 -1.42 0.20 2.75 0.00 -0.75 -4.50 105.19 99.94 2qub n GLY 174 Ca -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 2qub n GLY 174 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qub h TYR 175 N 0.00 -0.39 -0.18 1.61 5.03 -1.08 -0.77 116.97 121.20 2qub h TYR 175 Ca 0.00 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.20 2qub h TYR 175 Cb 0.61 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.07 2qub h TYR 175 CO 0.00 -0.22 -0.46 1.15 -1.32 0.00 0.00 178.16 177.31 2qub h THR 176 N -0.20 1.32 -0.33 1.81 2.02 -1.80 -0.23 112.91 115.49 2qub h THR 176 Ca 0.09 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 2qub h THR 176 Cb 0.32 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2qub h THR 176 CO -0.23 0.51 0.18 0.25 0.37 0.00 0.00 175.52 176.60 2qub h LEU 177 N 0.36 0.42 -0.32 2.58 5.85 -1.71 0.11 115.31 122.59 2qub h LEU 177 Ca 0.02 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.46 2qub h LEU 177 Cb 0.95 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2qub h LEU 177 CO 0.08 0.40 -0.57 0.11 -0.34 0.00 0.00 178.44 178.12 2qub h LYS 178 N 0.41 0.82 -0.01 1.25 1.79 -0.94 -1.87 116.57 118.02 2qub h LYS 178 Ca 0.12 -0.53 -0.13 0.00 -2.18 0.00 0.00 60.65 57.92 2qub h LYS 178 Cb 0.08 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2qub h LYS 178 CO -0.02 1.16 -0.50 0.00 -1.08 0.00 0.00 179.45 179.01 2qub h ALA 179 N 0.73 0.08 0.00 3.86 0.00 -0.97 -3.23 119.26 119.72 2qub h ALA 179 Ca 0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2qub h ALA 179 Cb 1.17 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2qub h ALA 179 CO 0.12 0.29 -0.60 1.19 0.00 0.00 0.00 179.25 180.25 2qub n PHE 180 N -4.29 0.00 -0.12 0.00 3.72 0.37 -0.45 117.46 116.69 2qub n PHE 180 Ca -0.10 -0.55 -0.04 0.00 -0.05 0.00 0.00 57.45 56.71 2qub n PHE 180 Cb 0.62 -0.13 0.03 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.48 0.40 0.73 1.37 0.00 -1.28 -1.22 103.07 103.56 2qub h GLY 181 Ca -0.08 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2qub h GLY 181 CO 0.03 -0.10 -0.09 3.43 0.00 0.00 0.00 176.54 179.81 2qub h ASN 182 N 0.10 0.32 -0.38 0.19 -0.26 -1.90 -3.01 115.58 110.64 2qub h ASN 182 Ca 0.20 -0.44 0.08 0.00 -0.56 0.00 0.00 56.30 55.58 2qub h ASN 182 Cb 0.28 -0.09 -0.08 0.00 -1.06 0.00 0.00 38.32 37.37 2qub h ASN 182 CO -0.34 0.69 -0.17 0.25 -1.06 0.00 0.00 177.43 176.80 2qub h LEU 183 N -0.04 -0.60 -2.06 1.61 5.85 -1.88 -1.34 115.31 116.85 2qub h LEU 183 Ca 0.03 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2qub h LEU 183 Cb 0.58 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2qub h LEU 183 CO 0.03 -0.21 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.83 2qub h LEU 184 N -0.10 0.00 -0.33 2.25 3.38 -1.24 -0.07 115.31 119.20 2qub h LEU 184 Ca 0.19 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2qub h LEU 184 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qub h LEU 184 CO -0.45 0.02 -0.15 1.23 0.09 0.00 0.00 178.44 179.18 2qub h GLY 185 N 0.08 0.74 1.32 0.83 0.00 -1.13 -2.17 103.07 102.74 2qub h GLY 185 Ca -0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.54 2qub h GLY 185 CO 0.00 0.60 -0.30 -0.55 0.00 0.00 0.00 176.54 176.30 2qub h ASP 186 N 0.46 0.80 -0.68 0.19 3.32 -0.49 -2.55 116.42 117.46 2qub h ASP 186 Ca 0.07 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 2qub h ASP 186 Cb 0.68 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 2qub h ASP 186 CO 0.05 1.04 0.20 0.58 -1.72 0.00 0.00 179.24 179.39 2qub h VAL 187 N 0.65 1.26 -0.35 -1.35 2.07 -1.05 -1.57 116.25 115.91 2qub h VAL 187 Ca 0.08 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2qub h VAL 187 Cb 0.82 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2qub h VAL 187 CO 0.07 0.34 0.18 0.00 0.02 0.00 0.00 177.57 178.19 2qub h ALA 188 N 1.09 0.45 -0.60 1.67 0.00 -1.28 0.72 119.26 121.30 2qub h ALA 188 Ca 0.22 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2qub h ALA 188 Cb 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2qub h ALA 188 CO -0.00 -0.02 0.36 0.87 0.00 0.00 0.00 179.25 180.45 2qub h LYS 189 N 0.43 0.67 -0.11 0.00 1.57 -1.34 -0.02 116.57 117.78 2qub h LYS 189 Ca 0.12 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2qub h LYS 189 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qub h LYS 189 CO -0.02 0.45 0.05 0.35 -0.57 0.00 0.00 179.45 179.71 2qub h PHE 190 N 0.69 0.10 0.04 -1.35 3.57 -1.03 -0.98 116.94 117.99 2qub h PHE 190 Ca 0.25 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2qub h PHE 190 Cb 0.06 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2qub h PHE 190 CO -0.06 0.06 -0.10 0.00 -2.23 0.00 0.00 178.31 175.98 2qub h ALA 191 N 1.05 -0.14 -0.66 2.41 0.00 -0.50 -2.44 119.26 118.98 2qub h ALA 191 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qub h ALA 191 Cb 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2qub h ALA 191 CO -0.03 -0.60 0.44 1.96 0.00 0.00 0.00 179.25 181.01 2qub h GLN 192 N -0.19 0.79 0.00 0.00 4.20 -0.89 -0.07 115.11 118.97 2qub h GLN 192 Ca 0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2qub h GLN 192 Cb 0.21 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2qub h GLN 192 CO -0.07 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 2qub h ALA 193 N 1.61 1.00 -0.43 3.87 0.00 -0.79 -2.56 119.26 121.96 2qub h ALA 193 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qub h ALA 193 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qub h ALA 193 CO -0.07 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.90 2qub n HIS 194 N -2.56 0.65 -0.90 0.00 8.25 -0.14 -4.97 115.22 115.55 2qub n HIS 194 Ca 0.01 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 2qub n HIS 194 Cb 0.22 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2qub n HIS 194 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qub n GLY 195 N 0.69 0.51 3.93 -1.41 0.00 -0.96 -4.93 105.19 103.02 2qub n GLY 195 Ca 0.15 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.26 0.53 0.99 1.43 -0.59 -5.01 118.68 120.30 2qub s LEU 196 Ca 0.00 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2qub s LEU 196 Cb 0.00 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2qub s LEU 196 CO 0.00 0.01 0.04 -0.94 0.23 0.00 0.00 176.35 175.69 2qub s SER 197 N -3.01 4.22 0.42 2.29 1.04 -1.26 -3.84 113.70 113.56 2qub s SER 197 Ca 0.38 -1.67 0.13 0.00 0.48 0.00 0.00 55.95 55.27 2qub s SER 197 Cb -0.11 0.68 0.98 0.00 0.10 0.00 0.00 66.02 67.66 2qub s SER 197 CO 0.28 -0.95 1.97 1.23 0.98 0.00 0.00 173.24 176.75 2qub h GLY 198 N 1.21 0.67 2.00 7.32 0.00 -1.91 -1.40 103.07 110.97 2qub h GLY 198 Ca -0.43 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2qub h GLY 198 CO 0.71 0.12 0.00 1.18 0.00 0.00 0.00 176.54 178.55 2qub n GLU 199 N -4.48 0.02 -0.28 4.80 1.02 -1.25 -1.77 120.64 118.70 2qub n GLU 199 Ca 0.11 0.28 0.07 0.00 -0.02 0.00 0.00 57.16 57.59 2qub n GLU 199 Cb 0.37 -1.54 0.20 0.00 -0.02 0.00 0.00 31.44 30.45 2qub n GLU 199 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2qub n ASP 200 N -1.57 2.61 -4.33 1.62 8.00 -0.53 -4.81 116.55 117.55 2qub n ASP 200 Ca 0.03 -2.10 -0.33 0.00 0.71 0.00 0.00 54.79 53.11 2qub n ASP 200 Cb 0.17 -0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.52 2.73 -0.14 2.53 1.01 -0.73 -1.62 120.40 122.67 2qub s VAL 201 Ca 0.30 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2qub s VAL 201 Cb 0.17 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2qub s VAL 201 CO 0.18 0.54 -0.06 0.54 0.00 0.00 0.00 175.10 176.31 2qub s VAL 202 N 0.26 3.75 -0.14 2.92 0.11 -0.27 -1.66 120.40 125.36 2qub s VAL 202 Ca -0.12 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 2qub s VAL 202 Cb -0.16 -2.62 0.01 0.00 -1.53 0.00 0.00 36.38 32.08 2qub s VAL 202 CO 0.06 0.51 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.45 2qub s VAL 203 N 0.19 2.17 0.32 2.04 1.01 0.02 -0.88 120.40 125.26 2qub s VAL 203 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2qub s VAL 203 Cb -0.14 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 2qub s VAL 203 CO 0.03 0.54 0.39 -0.24 0.00 0.00 0.00 175.10 175.83 2qub n SER 204 N 4.07 -1.07 0.00 3.32 2.88 -0.19 -1.54 113.62 121.09 2qub n SER 204 Ca -0.20 -2.81 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 2qub n SER 204 Cb 0.52 2.09 0.00 0.00 -0.75 0.00 0.00 64.21 66.07 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 -0.54 3.52 3.26 0.46 0.00 -1.25 -1.58 105.19 109.05 2qub n GLY 205 Ca 0.03 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 2.12 0.00 1.61 2.46 -1.25 -0.96 115.29 117.28 2qub s HIS 206 Ca 0.00 -0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.07 2qub s HIS 206 Cb 0.00 -1.38 0.00 0.00 -0.13 0.00 0.00 32.58 31.07 2qub s HIS 206 CO 0.00 -0.08 0.00 0.45 -2.47 0.00 0.00 174.74 172.64 2qub n SER 207 N 2.62 0.00 0.10 9.88 2.88 -0.27 -0.57 113.62 128.26 2qub n SER 207 Ca -0.16 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.55 2qub n SER 207 Cb 0.52 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.68 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 0.00 -0.75 2.46 5.85 -1.85 0.15 115.31 121.17 2qub h LEU 208 Ca 0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2qub h LEU 208 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2qub h LEU 208 CO 0.00 0.00 -0.50 1.23 -0.34 0.00 0.00 178.44 178.83 2qub h GLY 209 N 0.00 0.34 1.22 3.75 0.00 -0.82 -1.01 103.07 106.55 2qub h GLY 209 Ca 0.16 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 2qub h GLY 209 CO -0.00 0.33 -0.36 -1.33 0.00 0.00 0.00 176.54 175.18 2qub h GLY 210 N 1.29 0.93 0.71 4.60 0.00 -0.78 -2.00 103.07 107.82 2qub h GLY 210 Ca 0.01 -0.93 0.06 0.00 0.00 0.00 0.00 47.33 46.48 2qub h GLY 210 CO 0.08 0.84 0.50 -2.00 0.00 0.00 0.00 176.54 175.96 2qub h LEU 211 N 0.71 0.78 -1.55 3.11 6.46 -0.74 -2.16 115.31 121.92 2qub h LEU 211 Ca 0.06 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 2qub h LEU 211 Cb 0.93 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 2qub h LEU 211 CO 0.09 0.50 -0.18 0.00 -0.62 0.00 0.00 178.44 178.23 2qub h ALA 212 N 1.39 1.63 -0.08 1.25 0.00 -0.77 0.53 119.26 123.21 2qub h ALA 212 Ca 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2qub h ALA 212 Cb 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qub h ALA 212 CO -0.18 0.28 -0.04 0.28 0.00 0.00 0.00 179.25 179.59 2qub h VAL 213 N 0.07 1.32 -0.58 0.00 2.07 -0.77 -1.19 116.25 117.17 2qub h VAL 213 Ca 0.01 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2qub h VAL 213 Cb 0.35 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2qub h VAL 213 CO 0.02 0.29 0.26 0.78 0.02 0.00 0.00 177.57 178.94 2qub h ASN 214 N -0.20 0.75 0.02 0.57 2.35 -1.02 -2.04 115.58 116.02 2qub h ASN 214 Ca 0.02 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2qub h ASN 214 Cb 0.48 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2qub h ASN 214 CO 0.01 0.66 -0.01 -1.28 -1.65 0.00 0.00 177.43 175.16 2qub h SER 215 N 0.83 -0.03 -0.27 5.81 0.87 -0.79 -0.89 113.55 119.07 2qub h SER 215 Ca 0.20 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 2qub h SER 215 Cb 0.12 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2qub h SER 215 CO -0.02 0.15 -0.00 -0.03 -0.53 0.00 0.00 176.83 176.40 2qub h MET 216 N -0.21 0.08 -0.74 2.24 1.85 -1.03 -1.64 114.93 115.48 2qub h MET 216 Ca -0.00 -0.00 0.10 0.00 -0.61 0.00 0.00 59.70 59.18 2qub h MET 216 Cb 0.20 -0.02 -0.08 0.00 0.43 0.00 0.00 31.60 32.13 2qub h MET 216 CO 0.01 0.05 0.37 0.00 -0.40 0.00 0.00 176.91 176.94 2qub h ALA 217 N 1.23 1.04 0.00 0.39 0.00 -1.28 -0.80 119.26 119.84 2qub h ALA 217 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2qub h ALA 217 Cb 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qub h ALA 217 CO -0.22 -0.05 -0.13 0.00 0.00 0.00 0.00 179.25 178.85 2qub h ALA 218 N 1.45 1.40 -0.02 0.00 0.00 -0.39 -2.46 119.26 119.24 2qub h ALA 218 Ca 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qub h ALA 218 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qub h ALA 218 CO -0.29 0.16 -0.26 1.04 0.00 0.00 0.00 179.25 179.90 2qub n GLN 219 N -3.82 1.51 0.21 0.00 1.13 -0.43 -4.62 117.38 111.35 2qub n GLN 219 Ca -0.02 -1.18 0.10 0.00 -1.94 0.00 0.00 57.00 53.97 2qub n GLN 219 Cb 0.23 -1.48 0.24 0.00 0.11 0.00 0.00 30.24 29.34 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 2.87 0.00 0.11 1.08 4.64 -0.71 -2.11 113.55 119.43 2qub h SER 220 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2qub h SER 220 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2qub h SER 220 CO 0.00 0.14 -0.78 0.44 -0.87 0.00 0.00 176.83 175.76 2qub h ASP 221 N 0.00 0.67 0.12 4.97 3.32 -1.82 -3.29 116.42 120.39 2qub h ASP 221 Ca -0.00 -0.45 -0.32 0.00 0.02 0.00 0.00 57.03 56.28 2qub h ASP 221 Cb 1.00 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 2qub h ASP 221 CO 0.02 1.22 -2.19 0.00 -1.72 0.00 0.00 179.24 176.57 2qub n ALA 222 N -2.55 1.61 -2.43 3.45 0.00 -1.20 -4.35 120.51 115.04 2qub n ALA 222 Ca -0.06 -1.14 -0.20 0.00 0.00 0.00 0.00 53.44 52.04 2qub n ALA 222 Cb 0.74 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 -5.54 5.50 -1.43 0.00 0.01 -0.80 -4.56 114.94 108.12 2qub s ASN 223 Ca -0.09 -0.42 -0.07 0.00 -0.71 0.00 0.00 52.86 51.57 2qub s ASN 223 Cb 0.07 -0.99 0.04 0.00 0.41 0.00 0.00 41.25 40.78 2qub s ASN 223 CO 0.83 -0.43 0.59 0.79 -1.51 0.00 0.00 177.10 177.37 2qub n TRP 224 N -1.50 -1.93 -1.56 2.20 8.01 -1.26 -1.17 117.44 120.23 2qub n TRP 224 Ca -0.00 0.53 -0.19 0.00 -1.31 0.00 0.00 57.50 56.53 2qub n TRP 224 Cb 0.59 -3.79 -0.08 0.00 -2.01 0.00 0.00 31.31 26.02 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 -1.39 1.84 2.33 6.99 0.00 -1.26 -1.75 105.19 111.95 2qub n GLY 225 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.44 0.50 0.37 -0.02 0.00 -0.31 -4.93 105.19 100.36 2qub n GLY 226 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 2qub n GLY 226 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qub h PHE 227 N 0.00 0.81 -0.56 1.61 3.57 -1.51 -2.28 116.94 118.59 2qub h PHE 227 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2qub h PHE 227 Cb 0.13 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2qub h PHE 227 CO 0.08 0.33 0.00 0.66 -2.23 0.00 0.00 178.31 177.15 2qub n TYR 228 N -4.54 0.74 -0.32 0.41 4.01 -1.26 -3.46 117.16 112.73 2qub n TYR 228 Ca 0.16 -0.37 0.06 0.00 -0.16 0.00 0.00 57.90 57.59 2qub n TYR 228 Cb 0.42 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.66 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 4.37 1.34 -0.59 -0.72 0.00 -1.47 -1.78 119.26 120.42 2qub h ALA 229 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2qub h ALA 229 Cb 0.94 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2qub h ALA 229 CO 0.00 0.11 0.10 1.04 0.00 0.00 0.00 179.25 180.51 2qub n GLN 230 N -4.72 4.07 -1.25 0.00 1.13 -1.26 -4.94 117.38 110.40 2qub n GLN 230 Ca 0.17 -3.10 -0.29 0.00 -1.94 0.00 0.00 57.00 51.84 2qub n GLN 230 Cb 0.34 -2.18 0.16 0.00 0.11 0.00 0.00 30.24 28.67 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 -1.12 3.03 -0.45 1.08 0.01 -0.67 -3.90 113.70 111.68 2qub s SER 231 Ca 0.53 1.22 -0.15 0.00 1.31 0.00 0.00 55.95 58.86 2qub s SER 231 Cb 0.42 -1.88 0.06 0.00 0.21 0.00 0.00 66.02 64.83 2qub s SER 231 CO 0.13 -2.88 0.36 0.20 0.41 0.00 0.00 173.24 171.46 2qub s ASN 232 N -3.56 6.07 -0.35 2.44 0.01 -0.66 -4.98 114.94 113.90 2qub s ASN 232 Ca 0.64 -1.27 -0.10 0.00 -0.71 0.00 0.00 52.86 51.42 2qub s ASN 232 Cb -0.18 -2.15 0.02 0.00 0.41 0.00 0.00 41.25 39.35 2qub s ASN 232 CO 0.57 -0.60 0.18 -0.31 -1.51 0.00 0.00 177.10 175.43 2qub s TYR 233 N 1.62 3.22 -0.27 2.20 2.02 -1.24 -0.80 117.35 124.10 2qub s TYR 233 Ca 0.04 -0.86 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 2qub s TYR 233 Cb -0.23 -2.40 0.07 0.00 -0.40 0.00 0.00 41.96 39.00 2qub s TYR 233 CO 0.07 -0.59 -0.04 0.08 -1.57 0.00 0.00 175.55 173.49 2qub s VAL 234 N 1.56 1.83 -0.12 0.71 1.01 -0.59 -1.71 120.40 123.11 2qub s VAL 234 Ca 0.03 -1.58 -0.03 0.00 0.00 0.00 0.00 61.98 60.39 2qub s VAL 234 Cb -0.18 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2qub s VAL 234 CO 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 175.10 174.96 2qub s ALA 235 N 1.22 3.28 -0.14 5.51 0.00 -0.38 -3.90 121.76 127.34 2qub s ALA 235 Ca -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 2qub s ALA 235 Cb -0.19 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 2qub s ALA 235 CO -0.07 0.45 0.00 -0.06 0.00 0.00 0.00 175.76 176.08 2qub s PHE 236 N -0.44 3.13 -1.42 0.00 0.40 -0.13 -0.90 117.98 118.61 2qub s PHE 236 Ca 0.08 -0.05 -0.09 0.00 -0.60 0.00 0.00 56.93 56.28 2qub s PHE 236 Cb -0.12 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.52 2qub s PHE 236 CO 0.02 0.17 0.65 0.00 0.70 0.00 0.00 175.22 176.75 2qub n ALA 237 N 3.12 -1.09 -1.89 5.36 0.00 -0.24 -1.11 120.51 124.66 2qub n ALA 237 Ca -0.18 0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 2qub n ALA 237 Cb 0.53 -3.55 -0.04 0.00 0.00 0.00 0.00 19.45 16.38 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 -2.85 7.33 0.47 0.00 0.15 -1.26 -3.44 113.70 114.11 2qub s SER 238 Ca 0.43 2.14 0.27 0.00 0.70 0.00 0.00 55.95 59.49 2qub s SER 238 Cb -0.21 -2.61 0.91 0.00 -1.71 0.00 0.00 66.02 62.39 2qub s SER 238 CO 0.53 -0.12 1.81 1.55 1.20 0.00 0.00 173.24 178.21 2qub h PRO 239 N 4.41 0.00 -6.14 5.44 0.13 -1.78 0.24 132.00 134.30 2qub h PRO 239 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 2qub h PRO 239 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2qub h PRO 239 CO 0.69 0.12 -0.62 0.95 -0.23 0.00 0.00 178.00 178.91 2qub s THR 240 N -3.52 3.12 -0.04 1.56 -4.23 -1.26 -0.83 115.64 110.45 2qub s THR 240 Ca 0.02 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.64 2qub s THR 240 Cb 0.08 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 71.11 2qub s THR 240 CO 0.62 -0.29 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.24 2qub s GLN 241 N -3.71 0.86 -0.29 3.99 1.11 -0.58 -4.87 119.66 116.16 2qub s GLN 241 Ca 0.33 -0.18 -0.07 0.00 0.01 0.00 0.00 55.36 55.45 2qub s GLN 241 Cb -0.04 -0.83 0.00 0.00 -1.01 0.00 0.00 33.01 31.13 2qub s GLN 241 CO 0.20 -0.01 0.09 -0.47 0.01 0.00 0.00 175.29 175.12 2qub s TYR 242 N 0.61 3.14 -0.03 0.91 5.04 -1.26 -4.52 117.35 121.24 2qub s TYR 242 Ca -0.09 -0.83 0.01 0.00 -2.44 0.00 0.00 57.07 53.72 2qub s TYR 242 Cb -0.12 -2.27 -0.00 0.00 0.35 0.00 0.00 41.96 39.92 2qub s TYR 242 CO 0.01 -0.53 0.09 0.39 -1.34 0.00 0.00 175.55 174.17 2qub n GLU 243 N 4.90 5.76 -2.23 4.97 1.02 -1.26 -4.37 120.64 129.43 2qub n GLU 243 Ca -0.15 -0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.49 2qub n GLU 243 Cb 0.49 -0.59 -0.02 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 -0.92 3.57 0.00 0.62 0.00 -1.26 -2.85 121.76 120.91 2qub s ALA 244 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2qub s ALA 244 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2qub s ALA 244 CO 0.02 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.78 2qub n GLY 245 N 4.00 0.09 2.73 0.00 0.00 -1.26 -4.55 105.19 106.20 2qub n GLY 245 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.10 0.08 -0.02 0.00 -1.13 -4.95 105.19 97.06 2qub n GLY 246 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.31 0.02 -6.33 1.61 1.57 -1.83 -3.46 116.57 106.84 2qub h LYS 247 Ca -0.37 -0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 57.69 2qub h LYS 247 Cb 1.25 0.01 -0.26 0.00 0.08 0.00 0.00 32.23 33.31 2qub h LYS 247 CO 0.38 0.65 -0.81 0.08 -0.57 0.00 0.00 179.45 179.18 2qub s VAL 248 N -2.62 2.70 -0.18 0.50 1.01 -1.26 -3.72 120.40 116.82 2qub s VAL 248 Ca -0.04 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2qub s VAL 248 Cb 0.08 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2qub s VAL 248 CO 0.82 0.58 0.02 -0.51 0.00 0.00 0.00 175.10 176.01 2qub s ILE 249 N -0.60 4.27 -0.44 2.22 2.07 -0.69 -4.82 121.20 123.21 2qub s ILE 249 Ca 0.09 -0.21 -0.08 0.00 -1.41 0.00 0.00 60.65 59.03 2qub s ILE 249 Cb -0.11 -2.92 0.10 0.00 0.13 0.00 0.00 42.46 39.66 2qub s ILE 249 CO 0.01 0.45 0.28 0.20 -1.91 0.00 0.00 174.94 173.97 2qub s ASN 250 N 0.61 5.61 -0.17 4.50 0.01 -0.07 -1.25 114.94 124.17 2qub s ASN 250 Ca 0.00 -1.73 -0.08 0.00 -0.71 0.00 0.00 52.86 50.34 2qub s ASN 250 Cb -0.14 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 2qub s ASN 250 CO 0.02 -0.60 0.08 -0.63 -1.51 0.00 0.00 177.10 174.46 2qub s ILE 251 N 1.36 4.99 0.06 0.60 1.01 -0.08 -1.82 121.20 127.32 2qub s ILE 251 Ca 0.05 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.46 2qub s ILE 251 Cb -0.24 -3.24 0.10 0.00 0.01 0.00 0.00 42.46 39.09 2qub s ILE 251 CO 0.00 0.49 1.17 -0.83 0.00 0.00 0.00 174.94 175.77 2qub s GLY 252 N 0.11 -0.23 -0.03 6.18 0.00 -1.26 -1.08 107.32 111.00 2qub s GLY 252 Ca 0.06 0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.90 2qub s GLY 252 CO 0.00 1.45 0.45 -0.19 0.00 0.00 0.00 173.10 174.81 2qub s TYR 253 N -2.50 3.66 0.41 1.90 2.02 -1.26 -4.50 117.35 117.08 2qub s TYR 253 Ca 0.18 0.99 0.21 0.00 -0.37 0.00 0.00 57.07 58.08 2qub s TYR 253 Cb 0.01 -2.40 1.20 0.00 -0.40 0.00 0.00 41.96 40.37 2qub s TYR 253 CO -0.00 0.47 2.00 1.05 -1.57 0.00 0.00 175.55 177.50 2qub h GLU 254 N 5.40 0.00 -0.49 -0.62 4.11 -0.70 -1.67 114.58 120.61 2qub h GLU 254 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2qub h GLU 254 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2qub h GLU 254 CO 0.67 0.18 0.00 0.27 0.07 0.00 0.00 179.01 180.20 2qub n ASN 255 N -3.89 2.53 -4.57 3.06 6.94 -1.26 -4.75 115.26 113.32 2qub n ASN 255 Ca -0.02 -2.09 -0.43 0.00 -0.02 0.00 0.00 54.58 52.02 2qub n ASN 255 Cb 0.27 -0.34 -0.05 0.00 -2.36 0.00 0.00 39.78 37.30 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 -0.90 6.52 0.44 0.53 -1.08 -0.63 -4.76 116.67 116.78 2qub s ASP 256 Ca 0.29 0.20 0.30 0.00 -0.52 0.00 0.00 52.55 52.82 2qub s ASP 256 Cb 0.16 -2.42 1.36 0.00 -1.46 0.00 0.00 42.92 40.56 2qub s ASP 256 CO 0.18 -0.89 1.90 1.55 0.52 0.00 0.00 175.17 178.43 2qub h PRO 257 N 8.79 0.00 0.05 4.34 0.13 -1.85 -2.35 132.00 141.11 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 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2qub h PRO 257 CO 0.97 0.00 -1.04 0.28 -0.23 0.00 0.00 178.00 177.98 2qub h VAL 258 N 0.00 1.47 -2.55 1.56 2.07 -1.92 -3.41 116.25 113.48 2qub h VAL 258 Ca 0.00 -2.75 -0.54 0.00 0.82 0.00 0.00 66.70 64.23 2qub h VAL 258 Cb 0.32 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2qub h VAL 258 CO 0.00 0.81 1.13 0.12 0.02 0.00 0.00 177.57 179.65 2qub s PHE 259 N -3.01 1.80 -1.58 1.57 5.36 -0.89 -2.00 117.98 119.24 2qub s PHE 259 Ca -0.04 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 2qub s PHE 259 Cb 0.08 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 2qub s PHE 259 CO 0.86 -4.28 0.00 0.54 -1.46 0.00 0.00 175.22 170.88 2qub n ARG 260 N 7.25 -1.13 -0.04 10.12 1.74 0.07 -4.91 116.66 129.77 2qub n ARG 260 Ca 0.18 0.98 0.04 0.00 -0.77 0.00 0.00 57.85 58.28 2qub n ARG 260 Cb 0.42 -5.19 0.41 0.00 -1.02 0.00 0.00 32.46 27.08 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 0.19 1.71 -2.91 7.54 0.00 -1.33 -3.41 119.26 121.05 2qub h ALA 261 Ca -0.33 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 53.92 2qub h ALA 261 Cb 1.08 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2qub h ALA 261 CO 0.46 0.25 -0.51 -0.51 0.00 0.00 0.00 179.25 178.95 2qub s LEU 262 N -9.53 4.31 -0.72 0.00 1.43 -0.01 -4.11 118.68 110.05 2qub s LEU 262 Ca -0.09 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.11 2qub s LEU 262 Cb 0.18 -2.82 0.15 0.00 0.03 0.00 0.00 46.19 43.72 2qub s LEU 262 CO 0.74 0.20 0.77 -0.62 0.23 0.00 0.00 176.35 177.67 2qub s ASP 263 N -2.34 6.44 0.39 2.29 2.15 -0.18 -4.62 116.67 120.79 2qub s ASP 263 Ca 0.32 -1.97 0.00 0.00 0.43 0.00 0.00 52.55 51.33 2qub s ASP 263 Cb -0.13 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2qub s ASP 263 CO 0.25 -0.91 0.00 0.61 -0.17 0.00 0.00 175.17 174.95 2qub n GLY 264 N 4.92 1.60 0.00 2.66 0.00 -1.26 -1.57 105.19 111.53 2qub n GLY 264 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.62 -3.40 2.61 -2.24 -1.26 -1.53 114.28 109.08 2qub n THR 265 Ca 0.00 -0.70 -0.38 0.00 -2.27 0.00 0.00 64.05 60.70 2qub n THR 265 Cb 0.00 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.62 6.81 -0.09 3.42 0.01 -0.61 -4.96 113.70 117.65 2qub s SER 266 Ca 0.00 0.96 -0.30 0.00 1.31 0.00 0.00 55.95 57.92 2qub s SER 266 Cb 0.00 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 2qub s SER 266 CO 0.00 0.21 1.20 -0.22 0.41 0.00 0.00 173.24 174.83 2qub s LEU 267 N -0.51 4.24 0.36 2.44 2.96 -1.26 -1.02 118.68 125.89 2qub s LEU 267 Ca 0.25 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.94 2qub s LEU 267 Cb -0.17 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2qub s LEU 267 CO 0.13 -0.62 0.11 0.42 -1.32 0.00 0.00 176.35 175.07 2qub s THR 268 N 2.57 0.72 0.20 3.68 -4.23 -1.26 -5.00 115.64 112.32 2qub s THR 268 Ca 0.55 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 2qub s THR 268 Cb -0.23 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.21 2qub s THR 268 CO 0.19 0.00 1.86 0.25 -0.54 0.00 0.00 174.62 176.38 2qub h LEU 269 N 2.00 0.74 -2.74 4.79 5.85 -1.98 -0.55 115.31 123.43 2qub h LEU 269 Ca -0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2qub h LEU 269 Cb 1.26 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2qub h LEU 269 CO 0.60 0.53 0.04 -0.65 -0.34 0.00 0.00 178.44 178.62 2qub h PRO 270 N 0.88 0.00 -0.68 5.25 0.11 -1.94 -3.09 132.00 132.52 2qub h PRO 270 Ca 0.25 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.50 2qub h PRO 270 Cb -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 2qub h PRO 270 CO -0.07 0.00 0.46 0.77 -0.21 0.00 0.00 178.00 178.95 2qub h SER 271 N 0.00 0.33 -0.68 -2.05 0.02 -1.24 -1.08 113.55 108.85 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 0.08 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2qub h SER 271 CO 0.00 0.18 0.00 0.18 -1.14 0.00 0.00 176.83 176.05 2qub n LEU 272 N -4.46 3.99 0.00 5.07 4.77 -1.17 -4.66 117.00 120.53 2qub n LEU 272 Ca 0.12 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 2qub n LEU 272 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qub n LEU 272 CO 0.34 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 2qub n GLY 273 N 1.47 5.43 3.70 -0.72 0.00 -0.41 -4.45 105.19 110.21 2qub n GLY 273 Ca 0.24 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 2.74 4.92 -0.51 1.61 1.01 -1.25 -4.56 120.40 124.37 2qub s VAL 274 Ca 0.00 1.71 0.07 0.00 0.00 0.00 0.00 61.98 63.76 2qub s VAL 274 Cb 0.00 -4.17 0.23 0.00 0.00 0.00 0.00 36.38 32.45 2qub s VAL 274 CO 0.00 0.13 0.57 0.00 0.00 0.00 0.00 175.10 175.80 2qub n HIS 275 N 4.44 1.25 -0.53 5.22 -0.00 -1.26 -4.72 115.22 119.62 2qub n HIS 275 Ca 0.03 -3.80 0.07 0.00 -0.00 0.00 0.00 57.72 54.02 2qub n HIS 275 Cb 0.50 -0.37 0.20 0.00 -0.00 0.00 0.00 29.99 30.32 2qub n HIS 275 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2qub n ASP 276 N 1.44 3.36 -4.73 4.39 2.03 -1.26 -4.85 116.55 116.93 2qub n ASP 276 Ca 0.25 -2.44 -0.42 0.00 0.52 0.00 0.00 54.79 52.70 2qub n ASP 276 Cb 0.47 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.79 3.78 0.34 -1.67 0.00 -1.26 -4.70 121.76 116.46 2qub s ALA 277 Ca 0.31 1.44 -0.27 0.00 0.00 0.00 0.00 51.96 53.44 2qub s ALA 277 Cb 0.22 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 2qub s ALA 277 CO 0.13 -0.84 1.15 -1.25 0.00 0.00 0.00 175.76 174.95 2qub s PRO 278 N 0.59 4.35 -0.03 0.00 0.04 -1.26 -5.04 135.00 133.65 2qub s PRO 278 Ca 0.68 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 2qub s PRO 278 Cb -0.45 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2qub s PRO 278 CO 0.36 -0.07 0.08 -1.01 0.04 0.00 0.00 177.00 176.40 2qub s HIS 279 N -1.30 3.30 0.38 0.56 3.76 -1.26 -5.03 115.29 115.71 2qub s HIS 279 Ca 0.51 0.24 0.05 0.00 -0.15 0.00 0.00 55.06 55.71 2qub s HIS 279 Cb -0.32 -1.77 0.75 0.00 1.11 0.00 0.00 32.58 32.36 2qub s HIS 279 CO 0.41 0.56 2.03 1.79 -0.85 0.00 0.00 174.74 178.68 2qub h THR 280 N 3.42 1.13 -0.00 1.30 1.35 -2.02 -2.41 112.91 115.69 2qub h THR 280 Ca -0.50 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2qub h THR 280 Cb 1.19 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2qub h THR 280 CO 0.61 0.13 -0.07 -1.54 -0.25 0.00 0.00 175.52 174.40 2qub n SER 281 N -4.45 0.56 -4.65 5.36 3.41 -1.26 -4.94 113.62 107.65 2qub n SER 281 Ca 0.04 -0.81 -0.28 0.00 -0.26 0.00 0.00 58.87 57.56 2qub n SER 281 Cb 0.06 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.31 3.15 -0.57 7.33 0.00 -0.91 -0.89 121.76 127.57 2qub s ALA 282 Ca 0.34 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.74 2qub s ALA 282 Cb 0.21 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.37 2qub s ALA 282 CO 0.43 0.55 1.07 0.95 0.00 0.00 0.00 175.76 178.76 2qub s THR 283 N -1.55 4.20 -1.89 0.00 -4.23 -0.76 -4.79 115.64 106.62 2qub s THR 283 Ca 0.26 0.58 0.25 0.00 -1.18 0.00 0.00 61.69 61.60 2qub s THR 283 Cb -0.10 -4.64 0.21 0.00 1.34 0.00 0.00 72.50 69.31 2qub s THR 283 CO 0.17 -1.24 1.45 0.59 -0.54 0.00 0.00 174.62 175.05 2qub n ASN 284 N 7.96 1.35 -2.36 3.99 3.02 -1.26 -4.40 115.26 123.57 2qub n ASN 284 Ca 0.05 -1.11 -0.02 0.00 -0.03 0.00 0.00 54.58 53.47 2qub n ASN 284 Cb 0.48 0.22 0.05 0.00 -0.61 0.00 0.00 39.78 39.92 2qub n ASN 284 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qub n ASN 285 N -0.40 1.90 -4.68 6.41 3.02 -1.26 -4.72 115.26 115.53 2qub n ASN 285 Ca 0.12 -2.33 -0.37 0.00 -0.03 0.00 0.00 54.58 51.97 2qub n ASN 285 Cb 0.38 -0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 39.05 2qub n ASN 285 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qub s ILE 286 N -3.11 5.28 -0.19 2.41 1.01 -1.26 -1.68 121.20 123.65 2qub s ILE 286 Ca 0.32 0.48 -0.08 0.00 0.00 0.00 0.00 60.65 61.37 2qub s ILE 286 Cb 0.35 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2qub s ILE 286 CO -0.06 0.31 0.08 -0.69 0.00 0.00 0.00 174.94 174.58 2qub s VAL 287 N 1.08 4.89 -0.82 2.92 1.01 0.11 0.00 120.40 129.60 2qub s VAL 287 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 2qub s VAL 287 Cb -0.14 -3.22 0.08 0.00 0.00 0.00 0.00 36.38 33.10 2qub s VAL 287 CO 0.06 0.44 1.15 0.21 0.00 0.00 0.00 175.10 176.96 2qub s ASN 288 N 0.47 6.37 -1.13 3.32 3.84 -1.26 -1.20 114.94 125.36 2qub s ASN 288 Ca 0.04 -1.31 -0.19 0.00 0.21 0.00 0.00 52.86 51.61 2qub s ASN 288 Cb -0.12 -2.46 0.10 0.00 -0.55 0.00 0.00 41.25 38.21 2qub s ASN 288 CO 0.00 -1.40 1.47 0.12 -2.79 0.00 0.00 177.10 174.50 2qub s PHE 289 N 4.07 2.94 0.41 0.43 5.36 -0.30 -4.74 117.98 126.15 2qub s PHE 289 Ca 0.32 -1.47 0.02 0.00 -0.96 0.00 0.00 56.93 54.84 2qub s PHE 289 Cb -0.09 -4.55 0.02 0.00 -0.34 0.00 0.00 43.02 38.06 2qub s PHE 289 CO 0.01 -1.69 0.18 0.27 -1.46 0.00 0.00 175.22 172.54 2qub n ASN 290 N 7.57 2.67 -0.03 6.13 0.23 -1.26 -0.83 115.26 129.73 2qub n ASN 290 Ca 0.37 -2.59 0.03 0.00 -0.53 0.00 0.00 54.58 51.86 2qub n ASN 290 Cb 0.47 0.10 0.39 0.00 -2.08 0.00 0.00 39.78 38.66 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 0.70 0.53 0.14 0.53 5.19 -1.93 -1.14 116.42 120.43 2qub h ASP 291 Ca -0.30 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 2qub h ASP 291 Cb 0.99 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.37 2qub h ASP 291 CO 0.48 0.40 -0.07 -0.74 -3.12 0.00 0.00 179.24 176.19 2qub h HIS 292 N 0.62 -0.17 -0.97 4.55 2.76 -1.94 -2.80 115.15 117.20 2qub h HIS 292 Ca 0.17 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 2qub h HIS 292 Cb -0.05 0.06 -0.07 0.00 1.55 0.00 0.00 27.41 28.90 2qub h HIS 292 CO 0.00 0.16 0.63 -0.92 -1.30 0.00 0.00 177.93 176.50 2qub h TYR 293 N -0.52 1.14 0.00 5.26 3.20 -1.77 -2.25 116.97 122.04 2qub h TYR 293 Ca -0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2qub h TYR 293 Cb 0.41 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2qub h TYR 293 CO 0.03 0.57 -0.22 0.00 -1.64 0.00 0.00 178.16 176.91 2qub h ALA 294 N 1.49 1.05 -2.18 1.82 0.00 -1.20 -3.45 119.26 116.79 2qub h ALA 294 Ca 0.43 -0.20 -0.60 0.00 0.00 0.00 0.00 54.91 54.54 2qub h ALA 294 Cb 0.24 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 2qub h ALA 294 CO -0.18 0.27 0.42 0.45 0.00 0.00 0.00 179.25 180.22 2qub s SER 295 N -6.19 6.63 0.19 0.00 0.15 -0.85 -4.94 113.70 108.69 2qub s SER 295 Ca 0.00 0.54 -0.12 0.00 0.70 0.00 0.00 55.95 57.07 2qub s SER 295 Cb 0.11 -2.41 0.15 0.00 -1.71 0.00 0.00 66.02 62.16 2qub s SER 295 CO 0.63 -0.70 1.81 0.44 1.20 0.00 0.00 173.24 176.62 2qub h ASP 296 N 8.30 0.50 -0.41 5.45 3.32 -1.86 -2.69 116.42 129.03 2qub h ASP 296 Ca -0.24 0.02 0.05 0.00 0.02 0.00 0.00 57.03 56.87 2qub h ASP 296 Cb 1.09 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 2qub h ASP 296 CO 0.91 0.34 0.14 0.00 -1.72 0.00 0.00 179.24 178.91 2qub h ALA 297 N 1.28 0.49 -0.68 3.45 0.00 -1.95 -1.92 119.26 119.92 2qub h ALA 297 Ca 0.24 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2qub h ALA 297 Cb 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2qub h ALA 297 CO -0.13 -0.24 0.35 -1.49 0.00 0.00 0.00 179.25 177.73 2qub h TRP 298 N 0.31 0.94 -0.22 0.00 4.06 -1.84 -2.79 115.95 116.40 2qub h TRP 298 Ca 0.19 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.11 2qub h TRP 298 Cb 0.18 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2qub h TRP 298 CO -0.15 0.67 0.00 0.09 -3.56 0.00 0.00 178.44 175.49 2qub n ASN 299 N -4.35 1.26 0.26 -3.49 3.02 -0.77 -2.71 115.26 108.48 2qub n ASN 299 Ca 0.07 -1.95 0.13 0.00 -0.03 0.00 0.00 54.58 52.80 2qub n ASN 299 Cb 0.12 -0.15 0.72 0.00 -0.61 0.00 0.00 39.78 39.86 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 1.41 0.00 -9.95 3.41 3.38 -1.15 -3.43 115.31 108.99 2qub h LEU 300 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 2qub h LEU 300 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2qub h LEU 300 CO 0.00 0.12 0.23 -0.76 0.09 0.00 0.00 178.44 178.12 2qub s LEU 301 N -7.09 4.18 0.19 1.67 1.43 -1.10 -5.02 118.68 112.93 2qub s LEU 301 Ca -0.02 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 2qub s LEU 301 Cb 0.12 -4.06 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 2qub s LEU 301 CO 0.58 -0.15 1.29 -2.84 0.23 0.00 0.00 176.35 175.47 2qub s PRO 302 N -2.52 4.40 0.07 1.29 0.02 -1.26 -4.97 135.00 132.03 2qub s PRO 302 Ca 0.52 2.02 -0.31 0.00 0.02 0.00 0.00 61.00 63.25 2qub s PRO 302 Cb -0.14 -3.21 -0.08 0.00 0.02 0.00 0.00 34.50 31.10 2qub s PRO 302 CO 0.19 -0.24 1.52 0.12 -0.33 0.00 0.00 177.00 178.26 2qub s PHE 303 N 0.18 2.76 -0.22 6.54 5.36 -1.26 -4.80 117.98 126.55 2qub s PHE 303 Ca 0.57 0.61 -0.28 0.00 -0.96 0.00 0.00 56.93 56.86 2qub s PHE 303 Cb -0.36 -3.82 0.14 0.00 -0.34 0.00 0.00 43.02 38.64 2qub s PHE 303 CO 0.37 -3.14 1.08 0.45 -1.46 0.00 0.00 175.22 172.52 2qub s SER 304 N 1.89 -0.34 0.51 6.13 0.15 -1.26 -4.10 113.70 116.69 2qub s SER 304 Ca 0.69 0.47 0.34 0.00 0.70 0.00 0.00 55.95 58.16 2qub s SER 304 Cb -0.37 0.42 1.80 0.00 -1.71 0.00 0.00 66.02 66.16 2qub s SER 304 CO 0.30 -0.23 2.05 -0.29 1.20 0.00 0.00 173.24 176.26 2qub h ILE 305 N 2.84 0.00 0.00 6.45 2.10 -1.82 -1.20 117.51 125.88 2qub h ILE 305 Ca -0.21 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.67 2qub h ILE 305 Cb 1.17 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 2qub h ILE 305 CO 0.24 0.00 -0.18 0.18 -1.08 0.00 0.00 178.15 177.31 2qub n LEU 306 N -2.74 0.27 -4.38 2.19 4.77 -1.26 -4.64 117.00 111.21 2qub n LEU 306 Ca -0.02 0.35 -0.45 0.00 -0.03 0.00 0.00 56.01 55.87 2qub n LEU 306 Cb 0.09 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 2qub n LEU 306 CO 0.17 0.01 0.30 0.21 -1.33 0.00 0.00 177.39 176.75 2qub s ASN 307 N -3.24 6.19 0.19 -1.43 3.84 -0.45 -4.98 114.94 115.06 2qub s ASN 307 Ca 0.12 -1.40 -0.12 0.00 0.21 0.00 0.00 52.86 51.68 2qub s ASN 307 Cb 0.18 -2.27 0.14 0.00 -0.55 0.00 0.00 41.25 38.75 2qub s ASN 307 CO 0.60 -0.97 1.83 0.40 -2.79 0.00 0.00 177.10 176.17 2qub h ILE 308 N 5.89 1.06 -1.08 -5.21 1.08 -1.83 -1.97 117.51 115.46 2qub h ILE 308 Ca -0.29 -0.24 0.29 0.00 -0.39 0.00 0.00 64.86 64.22 2qub h ILE 308 Cb 1.09 0.29 -0.08 0.00 -3.07 0.00 0.00 36.82 35.05 2qub h ILE 308 CO 1.04 0.13 0.72 -0.65 -0.69 0.00 0.00 178.15 178.70 2qub h PRO 309 N 0.71 0.26 0.00 2.37 0.11 -1.95 -0.41 132.00 133.10 2qub h PRO 309 Ca 0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2qub h PRO 309 Cb 0.03 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2qub h PRO 309 CO -0.10 0.17 0.00 1.79 -0.21 0.00 0.00 178.00 179.64 2qub h THR 310 N 0.26 0.00 0.00 -1.15 1.35 -1.66 -2.22 112.91 109.49 2qub h THR 310 Ca 0.58 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 2qub h THR 310 Cb 1.74 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2qub h THR 310 CO -0.21 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 175.85 2qub n TRP 311 N -3.04 0.34 -0.30 4.73 7.02 -0.16 -2.64 117.44 123.39 2qub n TRP 311 Ca -0.01 0.15 0.12 0.00 -1.02 0.00 0.00 57.50 56.74 2qub n TRP 311 Cb 0.17 -0.75 0.29 0.00 -2.42 0.00 0.00 31.31 28.60 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 0.27 0.00 -0.99 5.85 -1.58 0.12 115.31 118.98 2qub h LEU 312 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2qub h LEU 312 Cb 0.14 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2qub h LEU 312 CO 0.00 -0.01 0.00 -1.20 -0.34 0.00 0.00 178.44 176.89 2qub n SER 313 N -5.07 0.00 0.06 1.25 7.64 -1.08 -2.57 113.62 113.85 2qub n SER 313 Ca 0.21 0.29 0.12 0.00 1.01 0.00 0.00 58.87 60.49 2qub n SER 313 Cb 0.63 -0.40 0.05 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.40 0.60 -1.78 1.43 -0.00 0.03 -4.70 115.22 109.39 2qub n HIS 314 Ca 0.06 0.17 -0.41 0.00 -0.00 0.00 0.00 57.72 57.54 2qub n HIS 314 Cb 0.16 -0.70 -0.00 0.00 -0.00 0.00 0.00 29.99 29.45 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 -4.56 4.32 0.39 0.27 1.43 -1.06 -4.89 118.68 114.57 2qub s LEU 315 Ca 0.02 3.04 0.08 0.00 -1.03 0.00 0.00 54.13 56.24 2qub s LEU 315 Cb 0.12 -3.66 0.82 0.00 0.03 0.00 0.00 46.19 43.51 2qub s LEU 315 CO 0.78 -0.90 1.99 -0.65 0.23 0.00 0.00 176.35 177.80 2qub h PRO 316 N 3.49 0.62 -0.10 1.29 0.11 -1.94 -2.04 132.00 133.44 2qub h PRO 316 Ca -0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 2qub h PRO 316 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2qub h PRO 316 CO 0.68 0.41 -0.07 0.27 -0.21 0.00 0.00 178.00 179.08 2qub h PHE 317 N 0.64 0.14 -0.20 0.65 -5.15 -1.92 -0.90 116.94 110.20 2qub h PHE 317 Ca 0.26 -0.01 -0.08 0.00 -0.20 0.00 0.00 57.97 57.94 2qub h PHE 317 Cb 0.20 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 2qub h PHE 317 CO -0.00 0.22 -0.23 0.74 -2.00 0.00 0.00 178.31 177.04 2qub h PHE 318 N 0.14 0.41 0.13 6.09 0.04 -1.73 -1.72 116.94 120.30 2qub h PHE 318 Ca 0.03 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2qub h PHE 318 Cb 0.23 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.27 2qub h PHE 318 CO 0.00 0.58 -0.06 1.88 -0.60 0.00 0.00 178.31 180.11 2qub h TYR 319 N 0.34 -0.16 0.27 -0.55 -1.99 -1.32 -2.10 116.97 111.46 2qub h TYR 319 Ca 0.05 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2qub h TYR 319 Cb 0.59 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 2qub h TYR 319 CO 0.01 0.25 -0.28 0.37 -0.00 0.00 0.00 178.16 178.52 2qub h GLN 320 N -0.63 -0.56 0.05 4.88 -0.00 -1.15 -1.90 115.11 115.79 2qub h GLN 320 Ca -0.02 0.04 -0.18 0.00 -0.00 0.00 0.00 58.65 58.49 2qub h GLN 320 Cb 0.48 0.13 0.02 0.00 0.00 0.00 0.00 27.48 28.11 2qub h GLN 320 CO 0.03 -0.37 -0.72 0.22 0.00 0.00 0.00 178.83 177.99 2qub h ASP 321 N -0.58 0.55 -0.04 -0.69 3.58 -1.43 -2.92 116.42 114.90 2qub h ASP 321 Ca -0.01 -0.81 -0.01 0.00 0.42 0.00 0.00 57.03 56.62 2qub h ASP 321 Cb 0.54 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2qub h ASP 321 CO -0.06 1.31 0.00 1.23 -2.88 0.00 0.00 179.24 178.84 2qub h GLY 322 N -0.13 0.07 2.00 -0.78 0.00 -1.46 -2.83 103.07 99.94 2qub h GLY 322 Ca -0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 2qub h GLY 322 CO 0.14 0.04 -0.46 1.41 0.00 0.00 0.00 176.54 177.67 2qub h LEU 323 N -0.21 0.00 -1.06 3.11 3.38 -1.47 -1.95 115.31 117.12 2qub h LEU 323 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2qub h LEU 323 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2qub h LEU 323 CO 0.00 0.46 -0.25 0.24 0.09 0.00 0.00 178.44 178.98 2qub h MET 324 N 0.00 0.36 -0.21 1.13 2.86 -1.53 -0.50 114.93 117.04 2qub h MET 324 Ca -0.00 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 2qub h MET 324 Cb 0.92 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2qub h MET 324 CO 0.06 0.59 -0.31 0.00 1.06 0.00 0.00 176.91 178.31 2qub h ARG 325 N 0.32 0.43 0.06 1.72 3.08 -1.11 -1.08 114.38 117.81 2qub h ARG 325 Ca 0.05 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2qub h ARG 325 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2qub h ARG 325 CO 0.04 0.70 -0.03 0.28 -1.07 0.00 0.00 179.97 179.89 2qub h VAL 326 N 0.38 1.10 -0.79 2.04 2.07 -1.13 -2.35 116.25 117.57 2qub h VAL 326 Ca 0.05 -0.56 0.13 0.00 0.82 0.00 0.00 66.70 67.15 2qub h VAL 326 Cb 0.73 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.88 2qub h VAL 326 CO 0.06 0.14 0.38 0.25 0.02 0.00 0.00 177.57 178.41 2qub h LEU 327 N -0.33 0.44 -1.43 2.57 5.85 -0.91 -2.35 115.31 119.14 2qub h LEU 327 Ca -0.01 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2qub h LEU 327 Cb 0.29 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2qub h LEU 327 CO 0.01 0.19 0.00 0.59 -0.34 0.00 0.00 178.44 178.90 2qub n ASN 328 N -4.91 2.10 -4.77 1.25 5.03 -0.42 -4.85 115.26 108.69 2qub n ASN 328 Ca 0.15 -1.93 -0.40 0.00 0.87 0.00 0.00 54.58 53.27 2qub n ASN 328 Cb 0.40 -0.23 -0.01 0.00 -1.02 0.00 0.00 39.78 38.92 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 -1.16 6.37 0.63 6.41 0.15 -0.88 -4.89 113.70 120.33 2qub s SER 329 Ca 0.29 2.76 0.35 0.00 0.70 0.00 0.00 55.95 60.05 2qub s SER 329 Cb 0.15 -2.65 1.98 0.00 -1.71 0.00 0.00 66.02 63.80 2qub s SER 329 CO 0.21 -0.82 2.22 -0.08 1.20 0.00 0.00 173.24 175.97 2qub h GLU 330 N 2.85 0.00 -0.35 5.44 4.81 -1.90 -2.10 114.58 123.32 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 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 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 0.45 -0.32 0.92 3.72 -1.26 -4.66 117.46 112.86 2qub n PHE 331 Ca -0.02 -0.23 0.08 0.00 -0.05 0.00 0.00 57.45 57.23 2qub n PHE 331 Cb 0.17 0.00 0.24 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 4.07 0.94 0.00 1.38 3.20 -1.65 -1.16 116.97 123.75 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 0.90 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2qub h TYR 332 CO 0.23 0.28 0.00 -1.13 -1.64 0.00 0.00 178.16 175.90 2qub n SER 333 N -4.77 0.00 -0.42 -2.11 3.41 -1.26 -1.30 113.62 107.17 2qub n SER 333 Ca 0.19 0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 2qub n SER 333 Cb 0.43 -0.29 0.24 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.29 1.60 -4.93 1.04 4.77 -0.44 -4.67 117.00 113.07 2qub n LEU 334 Ca 0.08 -0.52 -0.25 0.00 -0.03 0.00 0.00 56.01 55.28 2qub n LEU 334 Cb 0.14 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2qub n LEU 334 CO 0.13 0.29 0.29 0.42 -1.33 0.00 0.00 177.39 177.19 2qub s THR 335 N -2.39 4.94 0.23 -5.08 -4.23 -0.42 -4.96 115.64 103.72 2qub s THR 335 Ca 0.24 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2qub s THR 335 Cb 0.19 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 2qub s THR 335 CO 0.50 -0.66 0.02 -1.81 -0.54 0.00 0.00 174.62 172.13 2qub s ASP 336 N -4.08 1.62 0.30 3.99 1.01 -1.26 -1.51 116.67 116.74 2qub s ASP 336 Ca 0.44 -1.25 0.05 0.00 0.71 0.00 0.00 52.55 52.49 2qub s ASP 336 Cb -0.10 0.06 0.80 0.00 1.01 0.00 0.00 42.92 44.68 2qub s ASP 336 CO 0.40 -0.57 1.65 0.50 0.21 0.00 0.00 175.17 177.35 2qub h LYS 337 N 2.47 0.22 -0.42 8.23 3.64 -1.73 -1.68 116.57 127.30 2qub h LYS 337 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2qub h LYS 337 Cb 1.23 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2qub h LYS 337 CO 0.64 0.15 0.00 -0.25 -2.27 0.00 0.00 179.45 177.71 2qub n ASP 338 N -5.20 4.71 -4.72 4.20 8.00 -1.26 -4.04 116.55 118.25 2qub n ASP 338 Ca 0.24 -2.92 -0.42 0.00 0.71 0.00 0.00 54.79 52.39 2qub n ASP 338 Cb 0.75 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.09 3.01 -4.62 -2.24 7.64 -0.63 -4.63 113.62 112.23 2qub n SER 339 Ca 0.24 1.21 -0.43 0.00 1.01 0.00 0.00 58.87 60.90 2qub n SER 339 Cb 1.01 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 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 -1.04 4.03 -0.12 0.44 2.01 -1.25 -4.45 115.64 115.24 2qub s THR 340 Ca 0.55 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.70 2qub s THR 340 Cb -0.55 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 67.87 2qub s THR 340 CO 0.62 -0.52 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.28 2qub s ILE 341 N 4.72 1.36 -0.31 1.82 1.01 -0.68 -0.83 121.20 128.30 2qub s ILE 341 Ca 0.59 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.63 2qub s ILE 341 Cb -0.17 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2qub s ILE 341 CO 0.26 0.42 0.16 -0.63 0.00 0.00 0.00 174.94 175.15 2qub s ILE 342 N 1.41 4.75 -0.28 2.92 -1.09 0.63 0.10 121.20 129.63 2qub s ILE 342 Ca 0.02 -0.30 -0.07 0.00 -2.23 0.00 0.00 60.65 58.06 2qub s ILE 342 Cb -0.13 -3.39 -0.00 0.00 -1.58 0.00 0.00 42.46 37.35 2qub s ILE 342 CO -0.07 0.10 0.09 -0.69 -1.23 0.00 0.00 174.94 173.13 2qub s VAL 343 N 1.65 4.14 -0.05 2.92 1.01 -0.34 -0.93 120.40 128.81 2qub s VAL 343 Ca 0.05 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2qub s VAL 343 Cb -0.17 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2qub s VAL 343 CO 0.07 0.15 1.62 -0.55 0.00 0.00 0.00 175.10 176.39 2qub s SER 344 N 1.55 6.69 -0.25 3.32 0.15 -0.42 -1.14 113.70 123.59 2qub s SER 344 Ca 0.04 2.22 0.22 0.00 0.70 0.00 0.00 55.95 59.12 2qub s SER 344 Cb -0.16 -2.54 0.50 0.00 -1.71 0.00 0.00 66.02 62.11 2qub s SER 344 CO 0.03 -0.90 1.12 0.59 1.20 0.00 0.00 173.24 175.28 2qub n ASN 345 N 6.90 1.83 -4.84 5.45 3.02 -0.01 -4.71 115.26 122.89 2qub n ASN 345 Ca 0.17 -2.17 -0.32 0.00 -0.03 0.00 0.00 54.58 52.22 2qub n ASN 345 Cb 0.43 -0.46 -0.03 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 -3.65 3.57 0.93 3.41 1.43 -1.21 -4.31 118.68 118.85 2qub s LEU 346 Ca 0.29 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.84 2qub s LEU 346 Cb 0.33 -4.51 0.15 0.00 0.03 0.00 0.00 46.19 42.20 2qub s LEU 346 CO -0.04 -0.66 1.14 -0.94 0.23 0.00 0.00 176.35 176.08 2qub s SER 347 N -3.18 3.29 0.49 2.29 1.04 -1.26 -4.83 113.70 111.54 2qub s SER 347 Ca 0.59 0.95 0.26 0.00 0.48 0.00 0.00 55.95 58.23 2qub s SER 347 Cb -0.10 -1.51 1.26 0.00 0.10 0.00 0.00 66.02 65.77 2qub s SER 347 CO 0.34 -2.69 1.99 0.78 0.98 0.00 0.00 173.24 174.64 2qub h ASN 348 N -1.59 0.00 0.56 7.02 2.35 -1.23 -1.70 115.58 120.99 2qub h ASN 348 Ca -0.51 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.13 2qub h ASN 348 Cb 1.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.68 2qub h ASN 348 CO 0.60 0.16 -0.55 0.58 -1.65 0.00 0.00 177.43 176.57 2qub h VAL 349 N 0.00 1.40 0.00 2.81 2.07 -1.83 -3.35 116.25 117.34 2qub h VAL 349 Ca -0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2qub h VAL 349 Cb 0.47 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2qub h VAL 349 CO 0.02 0.54 -1.19 0.35 0.02 0.00 0.00 177.57 177.31 2qub n THR 350 N -3.88 0.00 -0.06 2.57 -2.24 -1.09 -4.69 114.28 104.89 2qub n THR 350 Ca -0.01 -0.23 0.05 0.00 -2.27 0.00 0.00 64.05 61.58 2qub n THR 350 Cb 0.56 0.45 0.40 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.61 -0.01 -0.78 2.43 -1.45 -1.62 114.38 113.57 2qub h ARG 351 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2qub h ARG 351 Cb 0.37 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2qub h ARG 351 CO 0.00 0.41 -0.05 0.41 -1.51 0.00 0.00 179.97 179.22 2qub n GLY 352 N -1.47 -0.71 0.00 2.80 0.00 -1.26 -3.97 105.19 100.58 2qub n GLY 352 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2qub n GLY 352 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qub n ASN 353 N -0.67 0.40 -4.03 1.61 0.23 -0.82 -5.03 115.26 106.95 2qub n ASN 353 Ca 0.18 -1.18 -0.26 0.00 -0.53 0.00 0.00 54.58 52.80 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 -0.18 1.24 -0.02 5.53 2.01 -0.67 -5.11 115.64 118.44 2qub s THR 354 Ca 0.00 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.19 2qub s THR 354 Cb 0.00 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 2qub s THR 354 CO 0.00 0.38 0.91 0.26 -0.69 0.00 0.00 174.62 175.48 2qub s TRP 355 N 0.74 3.63 -0.26 4.92 0.52 -1.26 -4.48 118.94 122.75 2qub s TRP 355 Ca -0.13 1.58 -0.28 0.00 0.02 0.00 0.00 56.10 57.29 2qub s TRP 355 Cb -0.16 -3.04 0.01 0.00 -1.15 0.00 0.00 33.47 29.13 2qub s TRP 355 CO 0.03 0.00 0.98 0.08 0.02 0.00 0.00 176.95 178.06 2qub s VAL 356 N 1.02 4.68 0.15 4.03 1.01 0.15 -4.91 120.40 126.53 2qub s VAL 356 Ca 0.48 1.79 -0.21 0.00 0.00 0.00 0.00 61.98 64.04 2qub s VAL 356 Cb -0.20 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 31.95 2qub s VAL 356 CO 0.25 -0.24 0.54 -1.83 0.00 0.00 0.00 175.10 173.81 2qub s GLU 357 N 3.22 1.22 -1.05 2.72 -1.05 -1.26 -0.85 118.70 121.65 2qub s GLU 357 Ca 0.41 -0.56 -0.22 0.00 -0.15 0.00 0.00 54.97 54.46 2qub s GLU 357 Cb -0.14 0.55 0.06 0.00 -0.44 0.00 0.00 34.13 34.16 2qub s GLU 357 CO 0.09 -0.52 1.45 0.34 0.95 0.00 0.00 175.26 177.58 2qub s ASP 358 N -2.77 6.56 0.52 0.83 2.15 -1.26 -4.78 116.67 117.92 2qub s ASP 358 Ca 0.02 -1.65 0.30 0.00 0.43 0.00 0.00 52.55 51.65 2qub s ASP 358 Cb -0.00 -2.55 1.22 0.00 -0.30 0.00 0.00 42.92 41.29 2qub s ASP 358 CO -0.12 -1.41 1.94 -0.07 -0.17 0.00 0.00 175.17 175.33 2qub h LEU 359 N 12.48 0.00 1.89 -1.34 3.38 -1.98 -3.47 115.31 126.27 2qub h LEU 359 Ca 0.23 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.83 2qub h LEU 359 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2qub h LEU 359 CO 1.40 0.07 -0.51 -3.20 0.09 0.00 0.00 178.44 176.29 2qub n ASN 360 N -3.20 -5.16 -4.76 -0.43 4.05 -1.26 -4.94 115.26 99.55 2qub n ASN 360 Ca 0.00 -0.11 -0.41 0.00 0.45 0.00 0.00 54.58 54.52 2qub n ASN 360 Cb 0.34 -4.26 -0.03 0.00 1.23 0.00 0.00 39.78 37.06 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 -5.40 4.47 -1.37 1.20 3.52 -1.26 -4.03 118.95 116.07 2qub s ARG 361 Ca 0.16 2.05 -0.00 0.00 -0.13 0.00 0.00 55.73 57.80 2qub s ARG 361 Cb -0.08 -3.13 -0.00 0.00 -1.56 0.00 0.00 34.95 30.19 2qub s ARG 361 CO 0.19 -0.04 0.50 0.09 -0.81 0.00 0.00 175.30 175.24 2qub n ASN 362 N 1.09 -0.57 -3.48 -2.12 5.03 -1.26 -4.94 115.26 109.00 2qub n ASN 362 Ca 0.00 -0.95 -0.12 0.00 0.87 0.00 0.00 54.58 54.38 2qub n ASN 362 Cb 0.43 -3.37 -0.03 0.00 -1.02 0.00 0.00 39.78 35.79 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 -3.87 -1.73 0.73 5.41 0.00 -1.26 -4.86 121.76 116.19 2qub s ALA 363 Ca 0.00 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 2qub s ALA 363 Cb -0.00 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.61 2qub s ALA 363 CO 0.86 -0.64 1.21 -1.21 0.00 0.00 0.00 175.76 175.99 2qub s GLU 364 N -2.91 2.16 0.18 0.00 2.02 -1.26 -4.90 118.70 113.99 2qub s GLU 364 Ca 0.00 1.78 -0.32 0.00 0.02 0.00 0.00 54.97 56.45 2qub s GLU 364 Cb -0.01 -1.83 -0.11 0.00 0.10 0.00 0.00 34.13 32.28 2qub s GLU 364 CO -0.07 -1.83 1.68 0.99 0.02 0.00 0.00 175.26 176.05 2qub s THR 365 N -1.95 2.29 0.55 3.63 2.01 -1.26 -4.96 115.64 115.95 2qub s THR 365 Ca 0.75 0.18 -0.18 0.00 0.31 0.00 0.00 61.69 62.74 2qub s THR 365 Cb -0.30 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2qub s THR 365 CO 0.45 0.01 1.07 -1.00 -0.69 0.00 0.00 174.62 174.47 2qub s HIS 366 N 1.33 2.87 0.17 4.92 0.09 -1.26 -5.08 115.29 118.34 2qub s HIS 366 Ca 0.74 1.55 -0.02 0.00 -0.00 0.00 0.00 55.06 57.32 2qub s HIS 366 Cb -0.47 -3.11 -0.04 0.00 -0.00 0.00 0.00 32.58 28.96 2qub s HIS 366 CO 0.32 -1.19 0.12 -1.54 -0.00 0.00 0.00 174.74 172.45 2qub s SER 367 N -2.24 0.20 0.00 1.40 1.04 -1.26 -5.12 113.70 107.72 2qub s SER 367 Ca 0.67 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2qub s SER 367 Cb -0.18 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2qub s SER 367 CO 0.29 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2qub n GLY 368 N -0.20 -2.24 3.74 7.32 0.00 -1.26 -4.62 105.19 107.94 2qub n GLY 368 Ca -0.02 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.69 2.25 -0.11 1.61 0.04 -1.26 -4.80 135.00 132.04 2qub s PRO 369 Ca 0.00 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.53 2qub s PRO 369 Cb 0.00 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2qub s PRO 369 CO 0.00 -1.69 -0.20 0.99 0.04 0.00 0.00 177.00 176.14 2qub s THR 370 N -2.40 2.46 -0.17 1.26 2.01 -0.62 -3.93 115.64 114.24 2qub s THR 370 Ca 0.68 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 2qub s THR 370 Cb -0.22 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2qub s THR 370 CO 0.48 0.55 0.03 -0.36 -0.69 0.00 0.00 174.62 174.62 2qub s PHE 371 N 0.29 3.17 -0.18 4.92 0.08 -0.01 -0.75 117.98 125.51 2qub s PHE 371 Ca -0.14 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 56.86 2qub s PHE 371 Cb -0.17 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.27 2qub s PHE 371 CO 0.07 0.09 -0.16 0.42 -0.10 0.00 0.00 175.22 175.54 2qub s ILE 372 N 0.35 1.88 -0.31 0.64 1.01 -0.39 -0.27 121.20 124.11 2qub s ILE 372 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 2qub s ILE 372 Cb -0.13 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2qub s ILE 372 CO 0.01 0.43 0.14 -0.63 0.00 0.00 0.00 174.94 174.89 2qub s ILE 373 N 1.35 4.43 0.00 2.92 -1.09 -0.10 -0.94 121.20 127.77 2qub s ILE 373 Ca 0.03 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 2qub s ILE 373 Cb -0.14 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2qub s ILE 373 CO -0.11 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 2qub n GLY 374 N 4.95 -1.43 3.79 6.18 0.00 0.78 -1.31 105.19 118.15 2qub n GLY 374 Ca -0.14 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.12 4.40 0.00 1.61 1.04 -1.26 -4.68 113.70 113.69 2qub s SER 375 Ca 0.00 -1.27 0.15 0.00 0.48 0.00 0.00 55.95 55.31 2qub s SER 375 Cb 0.00 0.00 0.88 0.00 0.10 0.00 0.00 66.02 67.00 2qub s SER 375 CO 0.00 -0.77 1.50 0.47 0.98 0.00 0.00 173.24 175.42 2qub n ASP 376 N -1.38 0.00 -2.42 7.02 8.00 -1.26 -4.03 116.55 122.47 2qub n ASP 376 Ca -0.05 -1.35 -0.03 0.00 0.71 0.00 0.00 54.79 54.06 2qub n ASP 376 Cb 0.65 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.76 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 0.61 1.53 3.57 0.44 0.00 -1.25 -3.44 105.19 106.65 2qub n GLY 377 Ca 0.11 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.56 6.50 0.15 1.61 -0.87 -1.26 -4.29 114.94 115.21 2qub s ASN 378 Ca 0.09 0.13 0.05 0.00 -1.57 0.00 0.00 52.86 51.56 2qub s ASN 378 Cb -0.01 -2.46 -0.04 0.00 -0.02 0.00 0.00 41.25 38.72 2qub s ASN 378 CO 0.06 -1.09 0.10 -1.81 -2.57 0.00 0.00 177.10 171.79 2qub s ASP 379 N 2.33 5.41 -0.26 -1.22 1.01 -1.24 -4.61 116.67 118.09 2qub s ASP 379 Ca 0.38 -0.14 -0.03 0.00 0.71 0.00 0.00 52.55 53.47 2qub s ASP 379 Cb -0.10 -1.39 0.02 0.00 1.01 0.00 0.00 42.92 42.46 2qub s ASP 379 CO 0.27 0.09 -0.02 -0.76 0.21 0.00 0.00 175.17 174.96 2qub s LEU 380 N -2.92 3.34 -0.10 1.23 1.43 -1.26 -1.12 118.68 119.28 2qub s LEU 380 Ca 0.30 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2qub s LEU 380 Cb -0.10 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2qub s LEU 380 CO 0.22 -0.14 -0.16 -0.63 0.23 0.00 0.00 176.35 175.88 2qub s ILE 381 N 1.38 1.50 -0.14 -0.59 1.01 -0.28 -0.67 121.20 123.41 2qub s ILE 381 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2qub s ILE 381 Cb -0.17 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 40.97 2qub s ILE 381 CO -0.02 0.44 -0.11 -0.75 0.00 0.00 0.00 174.94 174.49 2qub s LYS 382 N 0.81 1.95 0.42 2.79 2.20 -0.03 -0.74 119.74 127.14 2qub s LYS 382 Ca -0.10 -0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 54.97 2qub s LYS 382 Cb -0.16 -1.90 -0.06 0.00 -1.51 0.00 0.00 37.83 34.21 2qub s LYS 382 CO 0.01 -0.26 0.77 0.20 -0.36 0.00 0.00 175.35 175.72 2qub s GLY 383 N 1.58 1.85 0.00 5.54 0.00 -0.03 -4.36 107.32 111.91 2qub s GLY 383 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.50 2qub s GLY 383 CO -0.10 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.54 2qub n GLY 384 N -1.50 0.23 0.16 0.20 0.00 -1.26 -1.65 105.19 101.37 2qub n GLY 384 Ca 0.02 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.97 116.57 114.97 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 0.23 0.81 3.71 3.86 0.00 -1.26 -2.45 105.19 110.09 2qub n GLY 386 Ca 0.02 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 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 6.91 0.09 1.61 0.01 -1.26 -4.13 114.94 117.18 2qub s ASN 387 Ca 0.00 1.10 0.07 0.00 -0.71 0.00 0.00 52.86 53.32 2qub s ASN 387 Cb 0.00 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 2qub s ASN 387 CO 0.00 -0.15 -0.18 -1.81 -1.51 0.00 0.00 177.10 173.45 2qub s ASP 388 N 0.86 2.21 -0.26 -1.22 1.01 -1.15 -1.59 116.67 116.53 2qub s ASP 388 Ca 0.35 -0.67 0.02 0.00 0.71 0.00 0.00 52.55 52.96 2qub s ASP 388 Cb -0.17 -0.10 0.06 0.00 1.01 0.00 0.00 42.92 43.72 2qub s ASP 388 CO 0.16 -0.00 -0.07 -0.31 0.21 0.00 0.00 175.17 175.16 2qub s TYR 389 N -1.26 2.91 -0.19 4.23 2.02 0.08 -1.23 117.35 123.90 2qub s TYR 389 Ca 0.04 -2.13 -0.02 0.00 -0.37 0.00 0.00 57.07 54.58 2qub s TYR 389 Cb -0.10 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 2qub s TYR 389 CO 0.04 -0.84 -0.08 -0.51 -1.57 0.00 0.00 175.55 172.58 2qub s LEU 390 N 1.22 2.77 -0.24 -1.29 1.43 0.03 -1.27 118.68 121.33 2qub s LEU 390 Ca -0.06 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2qub s LEU 390 Cb -0.19 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.40 2qub s LEU 390 CO -0.06 0.04 -0.12 -0.70 0.23 0.00 0.00 176.35 175.74 2qub s GLU 391 N 1.11 2.46 0.12 1.70 2.12 -0.11 -0.87 118.70 125.22 2qub s GLU 391 Ca 0.01 -1.20 0.07 0.00 0.36 0.00 0.00 54.97 54.20 2qub s GLU 391 Cb -0.15 -2.84 -0.19 0.00 0.26 0.00 0.00 34.13 31.21 2qub s GLU 391 CO -0.02 -0.48 1.29 0.78 -0.54 0.00 0.00 175.26 176.29 2qub h GLY 392 N 7.84 0.01 0.00 -1.50 0.00 -1.10 0.22 103.07 108.54 2qub h GLY 392 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2qub h GLY 392 CO 0.51 0.02 0.00 0.54 0.00 0.00 0.00 176.54 177.62 2qub n ARG 393 N -3.37 0.00 -1.01 4.80 1.74 -1.26 -4.10 116.66 113.46 2qub n ARG 393 Ca -0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 2qub n ARG 393 Cb 0.93 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.57 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 2.02 0.00 0.55 1.01 -1.26 -3.58 116.67 111.41 2qub s ASP 394 Ca 0.00 1.20 0.00 0.00 0.71 0.00 0.00 52.55 54.46 2qub s ASP 394 Cb 0.00 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 42.05 2qub s ASP 394 CO 0.00 -3.51 0.00 0.61 0.21 0.00 0.00 175.17 172.48 2qub n GLY 395 N -0.62 -0.89 3.55 0.21 0.00 -1.22 -3.90 105.19 102.31 2qub n GLY 395 Ca 0.05 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 2qub n GLY 395 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 396 N -2.83 6.43 0.04 1.61 1.01 -1.26 -4.30 116.67 117.37 2qub s ASP 396 Ca 0.00 -0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.21 2qub s ASP 396 Cb 0.00 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 2qub s ASP 396 CO 0.00 -1.09 0.03 -1.81 0.21 0.00 0.00 175.17 172.51 2qub s ASP 397 N 2.44 5.29 -0.11 0.27 1.01 -1.24 -3.64 116.67 120.70 2qub s ASP 397 Ca 0.34 -0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.61 2qub s ASP 397 Cb -0.11 -1.39 -0.00 0.00 1.01 0.00 0.00 42.92 42.43 2qub s ASP 397 CO 0.23 0.23 -0.23 -0.63 0.21 0.00 0.00 175.17 174.99 2qub s ILE 398 N -1.22 2.16 0.02 0.77 1.01 -0.28 -0.93 121.20 122.73 2qub s ILE 398 Ca 0.24 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.96 2qub s ILE 398 Cb -0.12 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2qub s ILE 398 CO 0.15 0.56 -0.12 -0.36 0.00 0.00 0.00 174.94 175.17 2qub s PHE 399 N 0.39 2.72 0.13 3.97 0.08 -0.25 -1.13 117.98 123.89 2qub s PHE 399 Ca -0.17 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 56.78 2qub s PHE 399 Cb -0.18 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2qub s PHE 399 CO 0.07 0.31 -0.11 1.03 -0.10 0.00 0.00 175.22 176.43 2qub s ARG 400 N -1.44 0.99 -0.23 0.44 0.52 0.08 -0.79 118.95 118.52 2qub s ARG 400 Ca 0.16 -1.33 -0.16 0.00 -0.52 0.00 0.00 55.73 53.88 2qub s ARG 400 Cb -0.11 -0.65 0.06 0.00 0.52 0.00 0.00 34.95 34.78 2qub s ARG 400 CO 0.07 0.10 0.57 0.34 0.02 0.00 0.00 175.30 176.39 2qub s ASP 401 N -2.82 -0.69 0.00 0.23 2.15 -1.26 -0.85 116.67 113.43 2qub s ASP 401 Ca 0.12 1.21 0.27 0.00 0.43 0.00 0.00 52.55 54.58 2qub s ASP 401 Cb -0.00 1.15 0.89 0.00 -0.30 0.00 0.00 42.92 44.66 2qub s ASP 401 CO 0.01 -0.21 1.67 0.00 -0.17 0.00 0.00 175.17 176.46 2qub n ALA 402 N 3.59 3.01 0.00 3.66 0.00 -0.66 -4.95 120.51 125.17 2qub n ALA 402 Ca -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2qub n ALA 402 Cb 0.57 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.41 -1.43 7.00 0.00 0.00 -1.13 -4.57 105.19 106.47 2qub n GLY 403 Ca 0.09 -1.38 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 -0.40 -0.64 3.27 -0.02 0.00 -1.03 -4.26 105.19 102.11 2qub n GLY 404 Ca 0.00 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 2.84 0.04 1.61 2.02 -1.26 -2.97 117.35 119.63 2qub s TYR 405 Ca 0.00 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 55.69 2qub s TYR 405 Cb 0.00 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2qub s TYR 405 CO 0.00 -0.50 -0.08 -0.80 -1.57 0.00 0.00 175.55 172.60 2qub s ASN 406 N 1.00 0.93 -0.06 2.29 0.01 -0.51 -2.95 114.94 115.64 2qub s ASN 406 Ca -0.01 -0.55 0.03 0.00 -0.71 0.00 0.00 52.86 51.62 2qub s ASN 406 Cb -0.15 0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.52 2qub s ASN 406 CO -0.02 -0.19 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.47 2qub s LEU 407 N -1.57 2.63 -0.11 0.60 1.43 -0.37 -1.44 118.68 119.86 2qub s LEU 407 Ca -0.09 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2qub s LEU 407 Cb -0.10 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.61 2qub s LEU 407 CO 0.01 0.30 -0.08 -0.63 0.23 0.00 0.00 176.35 176.18 2qub s ILE 408 N -0.48 1.01 -0.43 -0.59 1.01 0.17 -0.79 121.20 121.12 2qub s ILE 408 Ca 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 2qub s ILE 408 Cb -0.12 -1.02 0.09 0.00 0.01 0.00 0.00 42.46 41.42 2qub s ILE 408 CO 0.02 0.36 0.26 0.00 0.00 0.00 0.00 174.94 175.58 2qub s ALA 409 N 1.58 3.27 0.33 9.38 0.00 -0.05 -0.37 121.76 135.90 2qub s ALA 409 Ca 0.02 -2.31 0.19 0.00 0.00 0.00 0.00 51.96 49.86 2qub s ALA 409 Cb -0.13 -2.62 0.95 0.00 0.00 0.00 0.00 23.12 21.32 2qub s ALA 409 CO -0.07 -1.73 1.89 0.78 0.00 0.00 0.00 175.76 176.63 2qub h GLY 410 N 8.33 0.00 0.00 0.00 0.00 -1.37 0.45 103.07 110.48 2qub h GLY 410 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2qub h GLY 410 CO 0.76 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.91 2qub n GLY 411 N -0.37 -0.03 3.61 4.60 0.00 -1.26 -4.01 105.19 107.72 2qub n GLY 411 Ca -0.01 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 0.07 0.13 1.61 1.02 -1.23 -4.86 119.74 116.49 2qub s LYS 412 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 55.97 56.75 2qub s LYS 412 Cb 0.00 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 2qub s LYS 412 CO 0.00 -3.03 0.00 0.41 -0.92 0.00 0.00 175.35 171.81 2qub n GLY 413 N -0.29 -2.94 3.42 -3.33 0.00 -1.26 -3.97 105.19 96.82 2qub n GLY 413 Ca 0.05 -1.79 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.74 3.00 0.00 1.61 2.46 -1.26 -4.93 115.29 115.43 2qub s HIS 414 Ca 0.00 -0.67 0.00 0.00 0.47 0.00 0.00 55.06 54.86 2qub s HIS 414 Cb 0.00 -3.76 -0.04 0.00 -0.13 0.00 0.00 32.58 28.65 2qub s HIS 414 CO 0.00 -1.17 0.07 -0.80 -2.47 0.00 0.00 174.74 170.37 2qub s ASN 415 N 3.08 5.59 -0.03 9.88 0.01 -1.26 -3.64 114.94 128.57 2qub s ASN 415 Ca 0.15 0.11 0.07 0.00 -0.71 0.00 0.00 52.86 52.48 2qub s ASN 415 Cb -0.21 -1.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.86 2qub s ASN 415 CO 0.10 0.27 -0.23 -0.63 -1.51 0.00 0.00 177.10 175.10 2qub s ILE 416 N -1.19 1.83 -0.19 0.60 1.01 -0.10 -1.19 121.20 121.97 2qub s ILE 416 Ca 0.23 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 2qub s ILE 416 Cb -0.12 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 2qub s ILE 416 CO 0.14 0.52 -0.01 0.12 0.00 0.00 0.00 174.94 175.70 2qub s PHE 417 N -0.42 3.03 -0.32 3.97 5.36 -0.62 -1.09 117.98 127.89 2qub s PHE 417 Ca 0.05 -0.43 -0.08 0.00 -0.96 0.00 0.00 56.93 55.51 2qub s PHE 417 Cb -0.10 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.54 2qub s PHE 417 CO 0.00 -0.19 0.12 0.34 -1.46 0.00 0.00 175.22 174.03 2qub s ASP 418 N 0.84 5.37 0.34 6.13 2.15 0.03 -0.43 116.67 131.09 2qub s ASP 418 Ca 0.00 -0.78 0.24 0.00 0.43 0.00 0.00 52.55 52.45 2qub s ASP 418 Cb -0.14 -1.93 0.55 0.00 -0.30 0.00 0.00 42.92 41.09 2qub s ASP 418 CO 0.02 -0.25 1.68 0.71 -0.17 0.00 0.00 175.17 177.16 2qub h THR 419 N 5.86 0.00 -0.41 1.71 1.35 -1.03 -3.41 112.91 116.99 2qub h THR 419 Ca -0.29 -0.77 -0.18 0.00 -0.55 0.00 0.00 66.41 64.63 2qub h THR 419 Cb 1.12 1.76 -0.07 0.00 -1.73 0.00 0.00 68.15 69.23 2qub h THR 419 CO 0.62 0.00 -0.16 0.00 -0.25 0.00 0.00 175.52 175.73 2qub n GLN 420 N -2.72 -1.53 -3.88 4.72 6.02 -1.26 -4.93 117.38 113.80 2qub n GLN 420 Ca 0.05 0.77 -0.11 0.00 -0.01 0.00 0.00 57.00 57.70 2qub n GLN 420 Cb 0.49 -5.06 0.01 0.00 1.02 0.00 0.00 30.24 26.69 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 -2.59 2.21 0.28 -1.09 -2.07 -1.26 -4.67 119.66 110.47 2qub s GLN 421 Ca 0.00 -1.58 -0.30 0.00 -1.82 0.00 0.00 55.36 51.66 2qub s GLN 421 Cb 0.00 0.58 -0.12 0.00 -1.09 0.00 0.00 33.01 32.38 2qub s GLN 421 CO 0.00 -1.01 1.50 0.00 -1.32 0.00 0.00 175.29 174.46 2qub n ALA 422 N -0.56 1.97 0.14 2.60 0.00 -0.61 -1.42 120.51 122.64 2qub n ALA 422 Ca -0.06 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.82 2qub n ALA 422 Cb 0.60 -2.38 0.53 0.00 0.00 0.00 0.00 19.45 18.20 2qub n ALA 422 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qub h LEU 423 N 4.31 0.21 -2.48 0.00 5.85 -1.94 -2.02 115.31 119.24 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 1.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2qub h LEU 423 CO 0.76 0.17 0.03 0.07 -0.34 0.00 0.00 178.44 179.13 2qub h LYS 424 N 0.24 0.00 -0.00 1.25 2.10 -1.98 -1.57 116.57 116.61 2qub h LYS 424 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2qub h LYS 424 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2qub h LYS 424 CO -0.01 0.00 -0.16 0.09 -2.00 0.00 0.00 179.45 177.37 2qub n ASN 425 N -2.84 0.44 -4.16 7.07 3.02 -0.76 -4.81 115.26 113.23 2qub n ASN 425 Ca -0.02 -0.39 -0.28 0.00 -0.03 0.00 0.00 54.58 53.85 2qub n ASN 425 Cb 0.09 -0.08 -0.17 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.63 1.65 -0.06 3.41 2.01 -0.59 -3.98 115.64 115.44 2qub s THR 426 Ca 0.24 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 61.17 2qub s THR 426 Cb 0.19 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 2qub s THR 426 CO 0.52 0.47 0.84 -1.61 -0.69 0.00 0.00 174.62 174.15 2qub s GLU 427 N 0.24 4.45 -0.10 4.92 2.02 -0.49 -4.92 118.70 124.82 2qub s GLU 427 Ca -0.11 1.13 0.03 0.00 0.02 0.00 0.00 54.97 56.04 2qub s GLU 427 Cb -0.15 -3.48 0.01 0.00 0.10 0.00 0.00 34.13 30.61 2qub s GLU 427 CO 0.05 -0.08 -0.18 0.08 0.02 0.00 0.00 175.26 175.15 2qub s VAL 428 N 1.21 1.63 0.23 2.63 1.01 -1.26 -1.16 120.40 124.69 2qub s VAL 428 Ca 0.44 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2qub s VAL 428 Cb -0.19 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2qub s VAL 428 CO 0.21 0.47 0.18 0.00 0.00 0.00 0.00 175.10 175.95 2qub s ALA 429 N 0.69 1.21 -0.18 5.51 0.00 -0.45 -4.57 121.76 123.98 2qub s ALA 429 Ca -0.12 -1.72 -0.10 0.00 0.00 0.00 0.00 51.96 50.01 2qub s ALA 429 Cb -0.16 1.39 0.06 0.00 0.00 0.00 0.00 23.12 24.40 2qub s ALA 429 CO 0.03 -0.62 0.43 -0.47 0.00 0.00 0.00 175.76 175.13 2qub s TYR 430 N -4.01 -0.63 -2.32 0.00 5.04 -1.26 -0.70 117.35 113.48 2qub s TYR 430 Ca 0.38 1.35 0.21 0.00 -2.44 0.00 0.00 57.07 56.57 2qub s TYR 430 Cb 0.06 0.29 0.54 0.00 0.35 0.00 0.00 41.96 43.19 2qub s TYR 430 CO 0.15 -0.35 1.45 -0.40 -1.34 0.00 0.00 175.55 175.05 2qub n ASP 431 N 4.17 2.79 0.00 4.32 5.68 -0.64 -4.89 116.55 127.98 2qub n ASP 431 Ca -0.22 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 2qub n ASP 431 Cb 0.56 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 2qub n ASP 431 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qub n GLY 432 N 1.36 2.21 0.17 6.12 0.00 -1.26 -4.78 105.19 109.01 2qub n GLY 432 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2qub n GLY 432 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qub n ASN 433 N 0.00 0.34 -4.46 1.61 2.85 -1.26 -4.97 115.26 109.37 2qub n ASN 433 Ca 0.00 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.14 2qub n ASN 433 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 2qub n ASN 433 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2qub s THR 434 N -1.18 3.59 -0.07 -0.44 2.01 -1.26 -4.07 115.64 114.22 2qub s THR 434 Ca 0.00 -0.47 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 2qub s THR 434 Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2qub s THR 434 CO 0.00 0.51 0.68 -0.22 -0.69 0.00 0.00 174.62 174.90 2qub s LEU 435 N 0.25 4.32 -0.20 4.42 2.96 -0.20 -1.62 118.68 128.62 2qub s LEU 435 Ca -0.05 1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.98 2qub s LEU 435 Cb -0.14 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 2qub s LEU 435 CO 0.04 -0.09 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.62 2qub s TYR 436 N 0.72 2.96 -0.09 5.38 2.02 0.13 -0.79 117.35 127.69 2qub s TYR 436 Ca 0.36 -0.72 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 2qub s TYR 436 Cb -0.18 -2.05 0.01 0.00 -0.40 0.00 0.00 41.96 39.35 2qub s TYR 436 CO 0.17 -0.38 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.10 2qub s LEU 437 N 1.09 1.81 -0.15 -1.29 1.43 -0.27 -1.35 118.68 119.95 2qub s LEU 437 Ca 0.01 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2qub s LEU 437 Cb -0.15 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.01 2qub s LEU 437 CO -0.00 0.07 -0.21 -0.60 0.23 0.00 0.00 176.35 175.84 2qub s ARG 438 N 0.63 2.98 0.89 1.70 3.52 -0.31 -0.74 118.95 127.62 2qub s ARG 438 Ca -0.14 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.51 2qub s ARG 438 Cb -0.16 -2.46 0.19 0.00 -1.56 0.00 0.00 34.95 30.95 2qub s ARG 438 CO 0.04 -0.08 1.23 0.16 -0.81 0.00 0.00 175.30 175.84 2qub s ASP 439 N 0.99 3.42 0.50 -2.12 1.47 -0.39 -1.40 116.67 119.15 2qub s ASP 439 Ca -0.03 0.01 0.32 0.00 1.18 0.00 0.00 52.55 54.03 2qub s ASP 439 Cb -0.15 -0.12 1.34 0.00 -0.34 0.00 0.00 42.92 43.65 2qub s ASP 439 CO -0.06 -2.51 1.95 0.00 0.68 0.00 0.00 175.17 175.23 2qub h ALA 440 N -1.32 1.00 -0.09 2.11 0.00 -1.90 -1.66 119.26 117.40 2qub h ALA 440 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 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 0.37 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.25 2qub n LYS 441 N -2.93 1.92 -0.11 0.00 5.02 -1.26 -4.94 118.16 115.86 2qub n LYS 441 Ca 0.01 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 2qub n LYS 441 Cb 0.28 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.24 0.60 3.75 0.72 0.00 -0.62 -5.06 105.19 105.82 2qub n GLY 442 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qub n GLY 442 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qub s GLY 443 N -1.57 2.47 -0.10 -0.02 0.00 -1.26 -4.72 107.32 102.12 2qub s GLY 443 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 44.72 46.11 2qub s GLY 443 CO 0.00 2.24 -0.19 -0.42 0.00 0.00 0.00 173.10 174.74 2qub s ILE 444 N -0.30 2.55 -0.12 0.90 1.01 -1.16 -1.26 121.20 122.82 2qub s ILE 444 Ca 0.57 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2qub s ILE 444 Cb -0.43 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 2qub s ILE 444 CO 0.47 0.55 -0.16 -0.89 0.00 0.00 0.00 174.94 174.91 2qub s THR 445 N 0.12 2.77 -0.21 2.92 2.01 0.08 -1.43 115.64 121.91 2qub s THR 445 Ca -0.09 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 2qub s THR 445 Cb -0.16 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 2qub s THR 445 CO 0.06 0.53 0.04 -0.76 -0.69 0.00 0.00 174.62 173.80 2qub s LEU 446 N 0.37 3.48 -0.09 4.42 1.02 -0.52 -1.12 118.68 126.24 2qub s LEU 446 Ca -0.13 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 53.92 2qub s LEU 446 Cb -0.16 -1.89 0.02 0.00 0.02 0.00 0.00 46.19 44.17 2qub s LEU 446 CO 0.06 0.08 -0.09 0.00 0.02 0.00 0.00 176.35 176.42 2qub s ALA 447 N 0.94 1.24 0.01 4.21 0.00 0.03 -0.65 121.76 127.54 2qub s ALA 447 Ca 0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 2qub s ALA 447 Cb -0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2qub s ALA 447 CO 0.02 -0.19 0.17 -0.51 0.00 0.00 0.00 175.76 175.25 2qub s ASP 448 N 1.27 6.25 -1.51 0.00 1.01 0.50 -1.03 116.67 123.16 2qub s ASP 448 Ca -0.03 0.29 -0.06 0.00 0.71 0.00 0.00 52.55 53.46 2qub s ASP 448 Cb -0.14 -1.92 0.01 0.00 1.01 0.00 0.00 42.92 41.87 2qub s ASP 448 CO -0.03 0.24 0.75 0.47 0.21 0.00 0.00 175.17 176.80 2qub n ASP 449 N 0.80 -6.20 -4.59 0.27 8.00 -1.26 -1.09 116.55 112.49 2qub n ASP 449 Ca -0.10 -0.35 -0.39 0.00 0.71 0.00 0.00 54.79 54.66 2qub n ASP 449 Cb 0.52 -4.97 -0.09 0.00 -0.02 0.00 0.00 41.12 36.56 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 -3.22 5.17 -0.05 0.53 -1.09 -1.26 -4.20 121.20 117.09 2qub s ILE 450 Ca 0.37 0.41 0.13 0.00 -2.23 0.00 0.00 60.65 59.33 2qub s ILE 450 Cb -0.16 -3.73 -0.18 0.00 -1.58 0.00 0.00 42.46 36.81 2qub s ILE 450 CO 0.46 0.09 0.88 0.28 -1.23 0.00 0.00 174.94 175.41 2qub h SER 451 N 8.27 0.00 -3.54 3.58 0.02 -1.51 -3.44 113.55 116.93 2qub h SER 451 Ca -0.31 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.27 2qub h SER 451 Cb 1.16 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.37 2qub h SER 451 CO 0.65 0.84 -0.76 -0.89 -1.14 0.00 0.00 176.83 175.54 2qub s THR 452 N -2.74 0.38 -0.26 -2.27 2.01 -1.16 -0.99 115.64 110.61 2qub s THR 452 Ca -0.02 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 2qub s THR 452 Cb 0.08 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 2qub s THR 452 CO 0.81 0.18 0.12 -0.22 -0.69 0.00 0.00 174.62 174.82 2qub s LEU 453 N 0.78 3.70 -0.15 4.42 2.96 -0.03 -1.59 118.68 128.76 2qub s LEU 453 Ca -0.09 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2qub s LEU 453 Cb -0.12 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2qub s LEU 453 CO -0.01 -0.03 0.02 -0.60 -1.32 0.00 0.00 176.35 174.42 2qub s ARG 454 N 1.60 3.68 0.35 1.98 3.52 0.43 -0.63 118.95 129.87 2qub s ARG 454 Ca 0.06 -0.41 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 2qub s ARG 454 Cb -0.15 -3.03 -0.07 0.00 -1.56 0.00 0.00 34.95 30.14 2qub s ARG 454 CO 0.06 0.36 0.04 -1.54 -0.81 0.00 0.00 175.30 173.41 2qub s SER 455 N 0.10 2.87 -0.20 -2.12 1.04 -0.59 -0.40 113.70 114.40 2qub s SER 455 Ca 0.03 -1.38 0.01 0.00 0.48 0.00 0.00 55.95 55.09 2qub s SER 455 Cb -0.13 -0.19 0.04 0.00 0.10 0.00 0.00 66.02 65.84 2qub s SER 455 CO 0.02 -0.56 -0.14 -0.75 0.98 0.00 0.00 173.24 172.78 2qub s LYS 456 N -3.83 2.46 0.35 4.02 2.20 -0.50 -1.20 119.74 123.24 2qub s LYS 456 Ca 0.36 -0.93 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 2qub s LYS 456 Cb 0.09 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 2qub s LYS 456 CO 0.16 -0.36 0.15 -1.21 -0.36 0.00 0.00 175.35 173.73 2qub s GLU 457 N 1.29 2.37 -0.08 4.03 0.41 0.05 -1.57 118.70 125.20 2qub s GLU 457 Ca -0.00 -1.57 -0.00 0.00 -0.41 0.00 0.00 54.97 52.99 2qub s GLU 457 Cb -0.16 -2.17 0.02 0.00 -1.78 0.00 0.00 34.13 30.05 2qub s GLU 457 CO -0.09 0.09 -0.05 0.99 -0.49 0.00 0.00 175.26 175.71 2qub s THR 458 N -2.44 0.69 0.14 3.63 2.01 -1.26 -1.08 115.64 117.32 2qub s THR 458 Ca 0.38 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.30 2qub s THR 458 Cb -0.02 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2qub s THR 458 CO 0.23 0.29 0.15 -0.44 -0.69 0.00 0.00 174.62 174.16 2qub s SER 459 N 1.50 5.69 -1.58 3.53 0.01 -0.53 -4.61 113.70 117.71 2qub s SER 459 Ca -0.01 -0.04 -0.10 0.00 1.31 0.00 0.00 55.95 57.11 2qub s SER 459 Cb -0.13 -1.55 0.09 0.00 0.21 0.00 0.00 66.02 64.64 2qub s SER 459 CO -0.04 0.09 0.58 0.79 0.41 0.00 0.00 173.24 175.07 2qub n TRP 460 N -0.18 -1.66 0.00 2.43 8.01 -1.26 -2.16 117.44 122.62 2qub n TRP 460 Ca -0.08 0.76 0.00 0.00 -1.31 0.00 0.00 57.50 56.87 2qub n TRP 460 Cb 0.54 -3.23 0.00 0.00 -2.01 0.00 0.00 31.31 26.61 2qub n TRP 460 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2qub n LEU 461 N -4.41 0.00 0.00 -0.99 4.77 -1.26 -4.29 117.00 110.82 2qub n LEU 461 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2qub n LEU 461 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2qub n LEU 461 CO 0.82 0.00 0.10 2.30 -1.33 0.00 0.00 177.39 179.27 2qub n ILE 462 N 0.00 0.00 -2.53 -0.08 -5.35 -1.22 -4.96 119.36 105.22 2qub n ILE 462 Ca 0.00 -0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.72 2qub n ILE 462 Cb 0.00 1.16 -0.03 0.00 -1.74 0.00 0.00 39.64 39.04 2qub n ILE 462 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2qub s PHE 463 N -0.32 2.37 0.38 4.28 0.08 -0.92 -4.92 117.98 118.93 2qub s PHE 463 Ca 0.00 0.18 -0.18 0.00 0.12 0.00 0.00 56.93 57.05 2qub s PHE 463 Cb 0.00 -4.55 -0.10 0.00 -0.57 0.00 0.00 43.02 37.80 2qub s PHE 463 CO 0.00 -1.91 0.84 -0.80 -0.10 0.00 0.00 175.22 173.26 2qub s ASN 464 N 3.67 6.86 -0.19 1.36 0.02 -1.26 -1.45 114.94 123.94 2qub s ASN 464 Ca 0.40 1.49 -0.11 0.00 -1.02 0.00 0.00 52.86 53.62 2qub s ASN 464 Cb -0.08 -2.46 0.06 0.00 0.02 0.00 0.00 41.25 38.79 2qub s ASN 464 CO 0.20 -0.28 0.47 -0.75 0.02 0.00 0.00 177.10 176.75 2qub s LYS 465 N -3.07 0.46 0.19 -0.60 2.20 -0.24 -4.98 119.74 113.70 2qub s LYS 465 Ca 0.58 0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 56.76 2qub s LYS 465 Cb -0.10 0.03 -0.08 0.00 -1.51 0.00 0.00 37.83 36.17 2qub s LYS 465 CO 0.15 -0.15 0.95 -1.21 -0.36 0.00 0.00 175.35 174.73 2qub s GLU 466 N 1.37 4.79 -0.10 4.03 0.41 -1.26 -0.77 118.70 127.17 2qub s GLU 466 Ca -0.09 1.48 -0.00 0.00 -0.41 0.00 0.00 54.97 55.95 2qub s GLU 466 Cb -0.07 -3.32 0.02 0.00 -1.78 0.00 0.00 34.13 28.98 2qub s GLU 466 CO -0.13 0.39 -0.07 0.08 -0.49 0.00 0.00 175.26 175.03 2qub s VAL 467 N -0.68 0.94 -0.10 2.63 1.01 -0.34 -4.95 120.40 118.92 2qub s VAL 467 Ca 0.44 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 2qub s VAL 467 Cb -0.25 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2qub s VAL 467 CO 0.31 0.35 0.33 -1.81 0.00 0.00 0.00 175.10 174.28 2qub s ASP 468 N 1.54 6.58 -0.18 3.32 1.01 -1.26 -1.54 116.67 126.13 2qub s ASP 468 Ca 0.01 0.68 0.01 0.00 0.71 0.00 0.00 52.55 53.96 2qub s ASP 468 Cb -0.13 -2.20 0.02 0.00 1.01 0.00 0.00 42.92 41.62 2qub s ASP 468 CO -0.06 0.20 -0.19 -1.00 0.21 0.00 0.00 175.17 174.34 2qub s HIS 469 N -0.22 2.77 0.06 4.23 3.76 0.19 -4.65 115.29 121.44 2qub s HIS 469 Ca 0.20 -1.67 -0.31 0.00 -0.15 0.00 0.00 55.06 53.13 2qub s HIS 469 Cb -0.14 -1.90 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 2qub s HIS 469 CO 0.08 -0.80 1.32 -1.14 -0.85 0.00 0.00 174.74 173.34 2qub s GLN 470 N 1.29 4.35 -0.49 1.40 0.74 0.12 -0.85 119.66 126.22 2qub s GLN 470 Ca 0.04 1.93 -0.25 0.00 0.05 0.00 0.00 55.36 57.12 2qub s GLN 470 Cb -0.13 -3.38 0.03 0.00 1.10 0.00 0.00 33.01 30.63 2qub s GLN 470 CO -0.12 -0.41 0.94 0.08 -0.55 0.00 0.00 175.29 175.23 2qub s VAL 471 N 1.46 4.43 0.26 1.34 1.01 -0.16 -0.82 120.40 127.92 2qub s VAL 471 Ca 0.62 0.65 0.06 0.00 0.00 0.00 0.00 61.98 63.32 2qub s VAL 471 Cb -0.32 -4.47 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 2qub s VAL 471 CO 0.29 -0.92 -0.06 0.42 0.00 0.00 0.00 175.10 174.82 2qub s THR 472 N 3.85 1.58 0.31 3.92 -4.23 -0.84 -4.92 115.64 115.31 2qub s THR 472 Ca 0.36 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2qub s THR 472 Cb -0.10 -2.37 0.28 0.00 1.34 0.00 0.00 72.50 71.65 2qub s THR 472 CO 0.25 -0.35 1.91 0.00 -0.54 0.00 0.00 174.62 175.89 2qub h ALA 473 N 2.35 1.56 0.00 3.99 0.00 -1.95 -2.30 119.26 122.91 2qub h ALA 473 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qub h ALA 473 Cb 1.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2qub h ALA 473 CO 0.66 0.30 0.00 0.00 0.00 0.00 0.00 179.25 180.21 2qub n ALA 474 N -2.40 2.27 0.00 0.00 0.00 -1.26 -4.95 120.51 114.17 2qub n ALA 474 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2qub n ALA 474 Cb 0.22 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.33 0.69 3.66 0.00 0.00 -0.86 -4.40 105.19 105.61 2qub n GLY 475 Ca 0.06 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 4.12 -0.25 0.99 1.43 -0.24 -1.99 118.68 122.74 2qub s LEU 476 Ca 0.00 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.14 2qub s LEU 476 Cb 0.00 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2qub s LEU 476 CO 0.00 -0.48 0.13 -0.54 0.23 0.00 0.00 176.35 175.68 2qub s LYS 477 N 2.59 3.85 0.14 1.70 1.02 -0.01 -1.51 119.74 127.53 2qub s LYS 477 Ca 0.37 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 56.00 2qub s LYS 477 Cb -0.16 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 2qub s LYS 477 CO 0.09 -0.11 0.07 0.45 -0.92 0.00 0.00 175.35 174.93 2qub n SER 478 N 4.77 0.60 0.01 2.83 2.88 -0.06 0.14 113.62 124.78 2qub n SER 478 Ca -0.15 -1.82 0.01 0.00 -1.33 0.00 0.00 58.87 55.58 2qub n SER 478 Cb 0.52 0.47 0.34 0.00 -0.75 0.00 0.00 64.21 64.78 2qub n SER 478 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2qub h ASP 479 N 0.66 0.47 0.64 -3.46 3.32 -1.98 -2.74 116.42 113.33 2qub h ASP 479 Ca -0.11 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2qub h ASP 479 Cb 0.45 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2qub h ASP 479 CO 0.17 0.49 -0.08 -1.54 -1.72 0.00 0.00 179.24 176.56 2qub n SER 480 N -4.33 0.17 0.00 6.45 3.41 -1.26 -5.03 113.62 113.03 2qub n SER 480 Ca 0.02 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2qub n SER 480 Cb 0.20 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2qub n SER 480 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qub n GLY 481 N 1.37 0.56 3.50 5.00 0.00 -1.03 -5.05 105.19 109.54 2qub n GLY 481 Ca 0.11 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 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 3.14 -0.26 0.99 2.96 -1.26 -0.88 118.68 123.37 2qub s LEU 482 Ca 0.00 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2qub s LEU 482 Cb 0.00 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 45.02 2qub s LEU 482 CO 0.00 0.22 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.41 2qub s LYS 483 N 0.03 2.32 0.69 1.98 2.20 -0.57 -4.96 119.74 121.42 2qub s LYS 483 Ca -0.01 -1.30 -0.14 0.00 -0.36 0.00 0.00 55.97 54.16 2qub s LYS 483 Cb -0.14 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.27 2qub s LYS 483 CO 0.03 -0.56 1.10 0.00 -0.36 0.00 0.00 175.35 175.56 2qub s ALA 484 N 1.14 2.44 0.24 3.13 0.00 -1.26 -1.08 121.76 126.37 2qub s ALA 484 Ca -0.08 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.09 2qub s ALA 484 Cb -0.20 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 2qub s ALA 484 CO -0.05 -1.37 0.84 0.71 0.00 0.00 0.00 175.76 175.89 2qub s TYR 485 N -2.52 3.77 -1.29 0.00 2.02 -1.26 -4.87 117.35 113.20 2qub s TYR 485 Ca 0.65 1.65 -0.11 0.00 -0.37 0.00 0.00 57.07 58.88 2qub s TYR 485 Cb -0.19 -2.80 0.15 0.00 -0.40 0.00 0.00 41.96 38.71 2qub s TYR 485 CO 0.45 0.36 1.84 0.00 -1.57 0.00 0.00 175.55 176.63 2qub n ALA 486 N 0.99 5.05 -3.18 3.71 0.00 -1.26 -4.90 120.51 120.92 2qub n ALA 486 Ca -0.02 -4.22 -0.13 0.00 0.00 0.00 0.00 53.44 49.07 2qub n ALA 486 Cb 0.50 -3.10 -0.06 0.00 0.00 0.00 0.00 19.45 16.78 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 1.15 -1.03 -0.19 0.00 0.00 -1.26 -0.92 121.76 119.51 2qub s ALA 487 Ca 0.42 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 2qub s ALA 487 Cb 0.08 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 2qub s ALA 487 CO -0.01 -0.45 0.03 0.00 0.00 0.00 0.00 175.76 175.34 2qub s ALA 488 N -2.40 3.19 -0.14 0.00 0.00 -0.69 -4.99 121.76 116.73 2qub s ALA 488 Ca -0.06 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2qub s ALA 488 Cb -0.01 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.28 2qub s ALA 488 CO -0.02 -0.01 -0.19 0.99 0.00 0.00 0.00 175.76 176.52 2qub s THR 489 N 0.75 1.87 0.00 0.00 2.01 -1.26 -1.41 115.64 117.59 2qub s THR 489 Ca 0.02 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.16 2qub s THR 489 Cb -0.14 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.69 2qub s THR 489 CO 0.02 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 2qub n GLY 490 N 4.25 0.72 0.00 4.40 0.00 -0.01 -5.01 105.19 109.54 2qub n GLY 490 Ca -0.20 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2qub n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 491 N 5.00 6.12 0.00 -0.02 0.00 -1.26 -4.77 105.19 110.27 2qub n GLY 491 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 -5.01 1.61 8.00 -1.26 -3.67 116.55 116.22 2qub n ASP 492 Ca 0.00 0.41 -0.20 0.00 0.71 0.00 0.00 54.79 55.71 2qub n ASP 492 Cb 0.00 -0.43 0.07 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.86 1.72 -0.94 0.44 0.00 -1.25 -4.12 107.32 100.30 2qub s GLY 493 Ca 0.03 -2.14 -0.24 0.00 0.00 0.00 0.00 44.72 42.37 2qub s GLY 493 CO 0.09 -1.66 1.47 0.99 0.00 0.00 0.00 173.10 173.99 2qub s ASP 494 N -4.69 6.28 0.22 1.64 1.01 -1.26 -4.48 116.67 115.40 2qub s ASP 494 Ca 0.62 -1.13 -0.03 0.00 0.71 0.00 0.00 52.55 52.72 2qub s ASP 494 Cb -0.05 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2qub s ASP 494 CO 0.40 -1.71 0.45 -1.81 0.21 0.00 0.00 175.17 172.71 2qub s ASP 495 N 5.09 6.44 -0.28 0.27 1.01 -1.26 -4.94 116.67 122.99 2qub s ASP 495 Ca 0.46 0.57 -0.04 0.00 0.71 0.00 0.00 52.55 54.26 2qub s ASP 495 Cb -0.03 -2.08 0.03 0.00 1.01 0.00 0.00 42.92 41.85 2qub s ASP 495 CO -0.03 -0.08 0.01 -0.69 0.21 0.00 0.00 175.17 174.59 2qub s VAL 496 N -1.90 3.32 -0.24 -1.27 1.01 -1.26 -1.34 120.40 118.72 2qub s VAL 496 Ca 0.41 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2qub s VAL 496 Cb -0.11 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2qub s VAL 496 CO 0.28 0.06 -0.05 -0.76 0.00 0.00 0.00 175.10 174.63 2qub s LEU 497 N 1.37 3.06 -0.18 3.92 1.43 -0.09 -4.99 118.68 123.20 2qub s LEU 497 Ca -0.00 -0.66 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 2qub s LEU 497 Cb -0.18 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2qub s LEU 497 CO -0.01 -0.08 0.03 -1.10 0.23 0.00 0.00 176.35 175.42 2qub s GLN 498 N 1.40 3.84 0.13 1.70 -0.21 -1.26 -0.78 119.66 124.47 2qub s GLN 498 Ca 0.03 -0.41 -0.31 0.00 0.02 0.00 0.00 55.36 54.69 2qub s GLN 498 Cb -0.15 -3.14 -0.07 0.00 1.00 0.00 0.00 33.01 30.64 2qub s GLN 498 CO -0.04 0.20 1.27 0.00 -2.12 0.00 0.00 175.29 174.60 2qub s ALA 499 N 0.55 3.48 0.81 6.09 0.00 -0.98 -4.99 121.76 126.72 2qub s ALA 499 Ca 0.01 0.99 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 2qub s ALA 499 Cb -0.13 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.62 2qub s ALA 499 CO 0.02 -0.49 1.16 1.03 0.00 0.00 0.00 175.76 177.47 2qub s ARG 500 N 0.58 1.70 0.18 0.00 0.52 -1.26 -4.80 118.95 115.87 2qub s ARG 500 Ca 0.59 -0.19 -0.17 0.00 -0.52 0.00 0.00 55.73 55.44 2qub s ARG 500 Cb -0.33 -2.01 0.14 0.00 0.52 0.00 0.00 34.95 33.26 2qub s ARG 500 CO 0.33 -1.68 1.64 1.03 0.02 0.00 0.00 175.30 176.64 2qub h SER 501 N -1.03 -0.55 -0.58 0.23 0.87 -2.04 -2.48 113.55 107.97 2qub h SER 501 Ca -0.45 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2qub h SER 501 Cb 1.30 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 2qub h SER 501 CO 0.56 -0.19 0.00 1.41 -0.53 0.00 0.00 176.83 178.08 2qub n HIS 502 N -5.37 1.45 -2.24 2.24 8.25 -1.26 -4.93 115.22 113.36 2qub n HIS 502 Ca 0.04 -0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 56.43 2qub n HIS 502 Cb 0.28 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.01 6.90 -0.01 0.41 1.01 -0.94 -4.79 116.67 118.24 2qub s ASP 503 Ca 0.49 2.24 0.16 0.00 0.71 0.00 0.00 52.55 56.15 2qub s ASP 503 Cb 0.33 -2.59 -0.20 0.00 1.01 0.00 0.00 42.92 41.47 2qub s ASP 503 CO 0.21 -0.59 0.55 0.00 0.21 0.00 0.00 175.17 175.55 2qub n ALA 504 N 3.86 3.49 -2.86 5.23 0.00 -0.10 -4.85 120.51 125.28 2qub n ALA 504 Ca 0.10 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 2qub n ALA 504 Cb 0.43 -0.56 -0.13 0.00 0.00 0.00 0.00 19.45 19.19 2qub n ALA 504 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qub s TRP 505 N -2.72 0.22 -0.12 0.00 0.52 -1.06 -0.80 118.94 114.98 2qub s TRP 505 Ca 0.01 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 55.99 2qub s TRP 505 Cb 0.11 -0.15 0.01 0.00 -1.15 0.00 0.00 33.47 32.30 2qub s TRP 505 CO 0.65 -0.05 -0.20 -0.51 0.02 0.00 0.00 176.95 176.87 2qub s LEU 506 N -0.45 1.98 -0.32 2.99 1.43 -0.49 -1.70 118.68 122.12 2qub s LEU 506 Ca -0.03 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2qub s LEU 506 Cb -0.03 -1.32 0.08 0.00 0.03 0.00 0.00 46.19 44.94 2qub s LEU 506 CO -0.00 0.07 0.01 -0.36 0.23 0.00 0.00 176.35 176.29 2qub s PHE 507 N 0.81 3.52 0.27 0.29 0.08 -0.50 -1.04 117.98 121.41 2qub s PHE 507 Ca -0.08 -2.59 0.12 0.00 0.12 0.00 0.00 56.93 54.50 2qub s PHE 507 Cb -0.16 -2.53 0.47 0.00 -0.57 0.00 0.00 43.02 40.24 2qub s PHE 507 CO -0.01 -0.91 1.67 0.78 -0.10 0.00 0.00 175.22 176.65 2qub h GLY 508 N 7.76 0.00 0.00 4.36 0.00 -1.32 0.00 103.07 113.87 2qub h GLY 508 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 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 -3.81 -1.08 -4.74 0.19 3.02 -1.21 -3.98 115.26 103.65 2qub n ASN 509 Ca -0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.19 2qub n ASN 509 Cb 0.56 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.79 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 -1.93 2.38 0.00 5.41 0.00 -1.24 -3.89 121.76 122.49 2qub s ALA 510 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2qub s ALA 510 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2qub s ALA 510 CO 0.00 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.72 2qub n GLY 511 N 0.44 1.15 3.46 0.00 0.00 -1.23 -3.83 105.19 105.17 2qub n GLY 511 Ca 0.14 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 6.24 0.28 1.61 0.01 -1.26 -4.20 114.94 117.61 2qub s ASN 512 Ca 0.00 -0.87 0.08 0.00 -0.71 0.00 0.00 52.86 51.36 2qub s ASN 512 Cb 0.00 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 2qub s ASN 512 CO 0.00 -1.12 0.19 -1.81 -1.51 0.00 0.00 177.10 172.86 2qub s ASP 513 N 3.06 5.31 -0.23 -1.22 1.01 -1.25 -4.13 116.67 119.22 2qub s ASP 513 Ca 0.20 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 53.08 2qub s ASP 513 Cb -0.18 -1.20 0.03 0.00 1.01 0.00 0.00 42.92 42.59 2qub s ASP 513 CO 0.13 -0.12 -0.13 -0.89 0.21 0.00 0.00 175.17 174.37 2qub s THR 514 N -2.21 2.36 -0.35 -1.27 2.01 -0.45 -0.79 115.64 114.95 2qub s THR 514 Ca 0.35 -1.19 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 2qub s THR 514 Cb -0.07 -2.19 0.02 0.00 0.01 0.00 0.00 72.50 70.26 2qub s THR 514 CO 0.25 0.24 0.18 -0.76 -0.69 0.00 0.00 174.62 173.84 2qub s LEU 515 N 1.24 4.48 -0.24 4.42 1.02 0.55 -0.91 118.68 129.24 2qub s LEU 515 Ca -0.01 -0.83 -0.08 0.00 0.02 0.00 0.00 54.13 53.23 2qub s LEU 515 Cb -0.16 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 2qub s LEU 515 CO -0.08 -0.31 0.09 -0.63 0.02 0.00 0.00 176.35 175.44 2qub s ILE 516 N 1.57 4.60 0.68 -0.59 1.01 0.04 -0.46 121.20 128.04 2qub s ILE 516 Ca 0.03 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 2qub s ILE 516 Cb -0.18 -3.14 0.16 0.00 0.01 0.00 0.00 42.46 39.30 2qub s ILE 516 CO 0.06 0.35 0.89 0.61 0.00 0.00 0.00 174.94 176.85 2qub n GLY 517 N 4.65 -1.51 3.29 6.18 0.00 -0.54 -2.33 105.19 114.93 2qub n GLY 517 Ca -0.16 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.91 1.40 0.27 1.61 -3.43 -1.26 -4.69 115.29 106.27 2qub s HIS 518 Ca 0.51 -0.87 0.00 0.00 -0.80 0.00 0.00 55.06 53.90 2qub s HIS 518 Cb -0.02 -0.77 0.61 0.00 -1.43 0.00 0.00 32.58 30.97 2qub s HIS 518 CO 0.36 -0.01 1.70 0.00 -2.00 0.00 0.00 174.74 174.80 2qub h ALA 519 N 2.62 1.25 0.00 -1.38 0.00 -1.97 -1.67 119.26 118.12 2qub h ALA 519 Ca -0.37 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qub h ALA 519 Cb 1.21 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2qub h ALA 519 CO 0.64 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2qub n GLY 520 N -1.34 -0.85 7.00 0.00 0.00 -1.26 -4.29 105.19 104.45 2qub n GLY 520 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.44 2.06 3.40 -0.02 0.00 -0.63 -4.68 105.19 105.76 2qub n GLY 521 Ca 0.13 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.94 -4.99 -4.46 1.61 5.03 -0.67 -4.89 115.26 105.94 2qub n ASN 522 Ca 0.00 -0.46 -0.33 0.00 0.87 0.00 0.00 54.58 54.66 2qub n ASN 522 Cb 0.00 -4.04 -0.13 0.00 -1.02 0.00 0.00 39.78 34.59 2qub n ASN 522 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2qub s LEU 523 N -6.81 2.72 -0.26 3.41 2.96 -1.26 -4.80 118.68 114.64 2qub s LEU 523 Ca 0.45 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 54.04 2qub s LEU 523 Cb -0.22 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2qub s LEU 523 CO 0.55 0.31 0.14 -0.89 -1.32 0.00 0.00 176.35 175.15 2qub s THR 524 N -0.54 4.92 -0.23 3.68 2.01 0.02 -1.16 115.64 124.34 2qub s THR 524 Ca 0.07 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 2qub s THR 524 Cb -0.12 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 2qub s THR 524 CO 0.01 0.29 0.30 -0.36 -0.69 0.00 0.00 174.62 174.17 2qub s PHE 525 N 1.64 3.32 -0.47 4.92 0.08 0.33 -1.39 117.98 126.41 2qub s PHE 525 Ca 0.07 0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.55 2qub s PHE 525 Cb -0.15 -2.44 0.14 0.00 -0.57 0.00 0.00 43.02 40.00 2qub s PHE 525 CO 0.08 -0.04 0.28 0.08 -0.10 0.00 0.00 175.22 175.52 2qub s VAL 526 N 1.41 1.44 0.48 -0.44 1.01 -0.21 -1.20 120.40 122.89 2qub s VAL 526 Ca 0.13 -2.77 0.14 0.00 0.00 0.00 0.00 61.98 59.49 2qub s VAL 526 Cb -0.15 -1.99 0.23 0.00 0.00 0.00 0.00 36.38 34.47 2qub s VAL 526 CO 0.07 -0.95 2.07 1.23 0.00 0.00 0.00 175.10 177.52 2qub h GLY 527 N 6.44 0.06 0.00 4.51 0.00 -1.80 -1.08 103.07 111.20 2qub h GLY 527 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2qub h GLY 527 CO 0.49 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.67 2qub n GLY 528 N -1.31 -1.02 3.69 4.60 0.00 -1.26 -3.31 105.19 106.57 2qub n GLY 528 Ca -0.02 -1.22 -0.30 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 3.22 0.00 1.61 1.04 -1.25 -4.66 113.70 109.66 2qub s SER 529 Ca 0.00 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.22 2qub s SER 529 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2qub s SER 529 CO 0.00 -2.84 0.00 0.61 0.98 0.00 0.00 173.24 171.99 2qub n GLY 530 N -0.48 -1.21 3.59 7.32 0.00 -1.26 -3.57 105.19 109.58 2qub n GLY 530 Ca 0.08 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.55 6.26 0.15 1.61 1.01 -1.26 -4.19 116.67 116.70 2qub s ASP 531 Ca 0.00 0.21 0.11 0.00 0.71 0.00 0.00 52.55 53.58 2qub s ASP 531 Cb 0.00 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2qub s ASP 531 CO 0.00 -0.23 -0.25 -1.81 0.21 0.00 0.00 175.17 173.09 2qub s ASP 532 N 1.66 3.22 -0.23 0.27 1.01 -1.19 -3.76 116.67 117.65 2qub s ASP 532 Ca 0.15 -0.78 -0.10 0.00 0.71 0.00 0.00 52.55 52.53 2qub s ASP 532 Cb -0.16 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.51 2qub s ASP 532 CO 0.10 0.14 0.16 -0.63 0.21 0.00 0.00 175.17 175.15 2qub s ILE 533 N -1.29 5.37 -0.27 0.77 1.09 0.03 -1.07 121.20 125.82 2qub s ILE 533 Ca 0.15 0.18 -0.01 0.00 -1.10 0.00 0.00 60.65 59.87 2qub s ILE 533 Cb -0.09 -3.50 0.04 0.00 -1.06 0.00 0.00 42.46 37.85 2qub s ILE 533 CO 0.07 0.36 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.47 2qub s LEU 534 N 0.95 3.54 -0.72 2.97 1.43 0.40 -0.33 118.68 126.93 2qub s LEU 534 Ca 0.08 -1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 51.93 2qub s LEU 534 Cb -0.13 -1.67 0.19 0.00 0.03 0.00 0.00 46.19 44.60 2qub s LEU 534 CO 0.03 -0.20 0.64 -0.54 0.23 0.00 0.00 176.35 176.52 2qub s LYS 535 N 1.26 3.26 0.16 1.70 1.02 0.39 -0.77 119.74 126.76 2qub s LYS 535 Ca -0.03 -2.28 -0.31 0.00 0.02 0.00 0.00 55.97 53.37 2qub s LYS 535 Cb -0.18 -4.27 -0.08 0.00 -0.52 0.00 0.00 37.83 32.77 2qub s LYS 535 CO -0.03 -1.27 1.37 0.20 -0.92 0.00 0.00 175.35 174.69 2qub s GLY 536 N 2.26 2.17 -0.05 -3.33 0.00 0.94 -1.46 107.32 107.86 2qub s GLY 536 Ca 0.14 1.13 0.02 0.00 0.00 0.00 0.00 44.72 46.01 2qub s GLY 536 CO -0.05 2.24 -0.07 0.14 0.00 0.00 0.00 173.10 175.36 2qub s VAL 537 N 0.65 0.71 0.00 1.40 1.01 -1.26 -4.35 120.40 118.56 2qub s VAL 537 Ca 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2qub s VAL 537 Cb -0.37 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2qub s VAL 537 CO 0.34 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2qub n GLY 538 N 3.86 -1.25 3.75 4.51 0.00 -1.26 -3.61 105.19 111.20 2qub n GLY 538 Ca -0.24 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 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 5.09 -0.15 1.61 0.01 -1.26 -4.72 114.94 111.52 2qub s ASN 539 Ca 0.00 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 2qub s ASN 539 Cb 0.00 -1.14 0.00 0.00 0.41 0.00 0.00 41.25 40.52 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 -1.07 0.47 3.83 0.66 0.00 -1.24 -1.68 105.19 106.17 2qub n GLY 540 Ca -0.07 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.98 6.84 -0.05 1.61 0.01 -1.26 -3.43 114.94 115.67 2qub s ASN 541 Ca 0.00 1.52 0.06 0.00 -0.71 0.00 0.00 52.86 53.73 2qub s ASN 541 Cb 0.00 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 2qub s ASN 541 CO 0.00 -0.32 -0.25 -0.89 -1.51 0.00 0.00 177.10 174.13 2qub s THR 542 N -2.15 2.11 -0.25 1.60 2.01 -0.31 -0.93 115.64 117.72 2qub s THR 542 Ca 0.59 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 2qub s THR 542 Cb -0.10 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 70.68 2qub s THR 542 CO 0.17 0.57 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.25 2qub s PHE 543 N -0.22 3.08 -0.11 4.92 0.08 -0.26 -0.51 117.98 124.96 2qub s PHE 543 Ca -0.02 -1.60 -0.01 0.00 0.12 0.00 0.00 56.93 55.42 2qub s PHE 543 Cb -0.13 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2qub s PHE 543 CO 0.03 -0.74 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.16 2qub s LEU 544 N 1.31 3.02 -0.01 -0.37 2.96 -0.34 -1.26 118.68 123.99 2qub s LEU 544 Ca -0.00 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2qub s LEU 544 Cb -0.17 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.85 2qub s LEU 544 CO -0.04 0.24 0.01 -0.36 -1.32 0.00 0.00 176.35 174.87 2qub s PHE 545 N -0.05 0.11 -0.03 5.38 0.08 -0.33 -4.42 117.98 118.73 2qub s PHE 545 Ca -0.00 0.04 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 2qub s PHE 545 Cb -0.14 -0.19 0.01 0.00 -0.57 0.00 0.00 43.02 42.14 2qub s PHE 545 CO 0.03 -0.06 0.17 0.45 -0.10 0.00 0.00 175.22 175.71 2qub s SER 546 N 0.55 -0.08 0.90 1.36 0.15 -1.26 -1.62 113.70 113.71 2qub s SER 546 Ca -0.05 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2qub s SER 546 Cb -0.07 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2qub s SER 546 CO -0.01 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2qub n GLY 547 N 2.09 2.73 3.49 9.45 0.00 -1.02 -3.67 105.19 118.26 2qub n GLY 547 Ca -0.18 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 6.61 0.00 1.61 1.01 -1.26 -4.65 116.67 115.99 2qub s ASP 548 Ca 0.00 -1.90 0.22 0.00 0.71 0.00 0.00 52.55 51.58 2qub s ASP 548 Cb 0.00 -2.46 0.61 0.00 1.01 0.00 0.00 42.92 42.08 2qub s ASP 548 CO 0.00 -1.20 1.48 2.22 0.21 0.00 0.00 175.17 177.89 2qub n PHE 549 N 7.30 0.29 -4.27 4.23 1.16 -1.24 -4.65 117.46 120.29 2qub n PHE 549 Ca 0.28 -0.15 0.00 0.00 -1.87 0.00 0.00 57.45 55.71 2qub n PHE 549 Cb 0.49 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 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 1.27 -0.61 3.24 4.97 0.00 -1.26 -4.24 105.19 108.56 2qub n GLY 550 Ca 0.17 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 2.79 0.17 1.61 0.52 -1.26 -1.34 118.95 121.44 2qub s ARG 551 Ca 0.00 -1.03 0.08 0.00 -0.52 0.00 0.00 55.73 54.26 2qub s ARG 551 Cb 0.00 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 2qub s ARG 551 CO 0.00 -0.48 -0.03 -0.51 0.02 0.00 0.00 175.30 174.30 2qub s ASP 552 N 1.36 4.65 -0.10 0.23 1.11 -0.40 -3.19 116.67 120.33 2qub s ASP 552 Ca -0.01 -0.43 0.01 0.00 0.18 0.00 0.00 52.55 52.31 2qub s ASP 552 Cb -0.18 -0.95 -0.02 0.00 1.07 0.00 0.00 42.92 42.85 2qub s ASP 552 CO -0.01 0.10 -0.15 -1.10 1.18 0.00 0.00 175.17 175.19 2qub s GLN 553 N -2.87 3.11 -0.24 8.23 -0.21 -0.24 -1.57 119.66 125.88 2qub s GLN 553 Ca 0.27 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.95 2qub s GLN 553 Cb -0.09 -2.52 0.05 0.00 1.00 0.00 0.00 33.01 31.45 2qub s GLN 553 CO 0.18 0.31 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.37 2qub s LEU 554 N 0.07 3.10 -0.01 2.90 0.20 0.12 -0.45 118.68 124.61 2qub s LEU 554 Ca -0.06 -1.23 -0.02 0.00 0.69 0.00 0.00 54.13 53.51 2qub s LEU 554 Cb -0.15 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 2qub s LEU 554 CO 0.05 -0.16 0.14 -0.31 -0.29 0.00 0.00 176.35 175.77 2qub s TYR 555 N 1.17 3.43 0.00 5.38 2.02 0.05 -1.69 117.35 127.71 2qub s TYR 555 Ca -0.06 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2qub s TYR 555 Cb -0.19 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2qub s TYR 555 CO -0.07 0.61 0.00 0.41 -1.57 0.00 0.00 175.55 174.93 2qub n GLY 556 N 1.07 0.45 3.75 0.71 0.00 -1.26 -0.04 105.19 109.87 2qub n GLY 556 Ca -0.12 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 2.83 0.30 1.61 5.36 -1.26 -4.74 117.98 120.08 2qub s PHE 557 Ca 0.00 0.95 -0.01 0.00 -0.96 0.00 0.00 56.93 56.91 2qub s PHE 557 Cb 0.00 -3.96 -0.01 0.00 -0.34 0.00 0.00 43.02 38.71 2qub s PHE 557 CO 0.00 -3.11 0.36 0.54 -1.46 0.00 0.00 175.22 171.55 2qub s ASN 558 N 0.31 0.80 0.63 6.13 2.20 -1.26 -5.01 114.94 118.73 2qub s ASN 558 Ca 0.60 -1.45 0.30 0.00 -0.94 0.00 0.00 52.86 51.36 2qub s ASN 558 Cb -0.45 0.57 1.63 0.00 -2.00 0.00 0.00 41.25 40.99 2qub s ASN 558 CO 0.49 -1.13 1.97 0.00 -2.94 0.00 0.00 177.10 175.49 2qub h ALA 559 N 2.24 1.66 0.00 3.54 0.00 -1.95 -0.61 119.26 124.14 2qub h ALA 559 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qub h ALA 559 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qub h ALA 559 CO 0.41 -0.43 -0.62 -1.13 0.00 0.00 0.00 179.25 177.48 2qub n SER 560 N -3.31 0.58 -4.91 0.00 3.41 -1.26 -4.95 113.62 103.18 2qub n SER 560 Ca 0.02 -0.27 -0.28 0.00 -0.26 0.00 0.00 58.87 58.07 2qub n SER 560 Cb 0.44 0.37 0.07 0.00 -0.26 0.00 0.00 64.21 64.83 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 -3.24 4.91 0.02 4.04 1.01 -0.24 -3.69 116.67 119.49 2qub s ASP 561 Ca 0.09 0.73 0.01 0.00 0.71 0.00 0.00 52.55 54.10 2qub s ASP 561 Cb 0.17 -1.40 -0.02 0.00 1.01 0.00 0.00 42.92 42.68 2qub s ASP 561 CO 0.73 -1.60 -0.05 -0.75 0.21 0.00 0.00 175.17 173.71 2qub s LYS 562 N -5.36 0.38 -0.06 8.23 2.20 -0.10 -4.84 119.74 120.19 2qub s LYS 562 Ca 0.60 -0.51 0.05 0.00 -0.36 0.00 0.00 55.97 55.75 2qub s LYS 562 Cb -0.11 -0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.02 2qub s LYS 562 CO 0.48 0.03 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.76 2qub s LEU 563 N -1.06 2.21 -0.10 5.43 1.43 -0.32 -1.10 118.68 125.18 2qub s LEU 563 Ca -0.08 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2qub s LEU 563 Cb -0.07 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.75 2qub s LEU 563 CO -0.00 0.26 -0.10 -0.69 0.23 0.00 0.00 176.35 176.05 2qub s VAL 564 N -0.22 1.12 -0.20 -1.59 1.01 -0.38 -0.81 120.40 119.32 2qub s VAL 564 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2qub s VAL 564 Cb -0.13 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.19 2qub s VAL 564 CO 0.03 0.37 -0.17 -0.36 0.00 0.00 0.00 175.10 174.98 2qub s PHE 565 N 1.30 2.92 -0.13 5.22 0.08 -0.36 -1.18 117.98 125.83 2qub s PHE 565 Ca -0.02 -1.80 0.03 0.00 0.12 0.00 0.00 56.93 55.26 2qub s PHE 565 Cb -0.14 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2qub s PHE 565 CO -0.04 -0.82 -0.21 0.42 -0.10 0.00 0.00 175.22 174.47 2qub s ILE 566 N 1.25 2.00 -1.16 0.64 1.01 -0.64 -0.59 121.20 123.71 2qub s ILE 566 Ca 0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 2qub s ILE 566 Cb -0.15 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2qub s ILE 566 CO -0.10 0.54 0.99 0.61 0.00 0.00 0.00 174.94 176.97 2qub n GLY 567 N 4.04 -0.34 3.88 6.18 0.00 -0.34 -2.73 105.19 115.87 2qub n GLY 567 Ca -0.20 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 3.85 0.52 2.61 -4.23 -1.26 -2.44 115.64 111.38 2qub s THR 568 Ca 0.23 -1.29 -0.22 0.00 -1.18 0.00 0.00 61.69 59.23 2qub s THR 568 Cb -0.10 -3.29 -0.07 0.00 1.34 0.00 0.00 72.50 70.38 2qub s THR 568 CO 0.67 -0.21 1.18 -0.62 -0.54 0.00 0.00 174.62 175.09 2qub n GLU 569 N -1.39 1.45 0.00 3.99 1.02 -1.26 -4.84 120.64 119.60 2qub n GLU 569 Ca -0.03 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2qub n GLU 569 Cb 0.59 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 2qub n GLU 569 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qub n GLY 570 N 0.99 1.55 0.01 0.62 0.00 -1.26 -4.88 105.19 102.21 2qub n GLY 570 Ca 0.11 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.64 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 1.63 3.32 -1.77 4.61 0.00 -1.26 -4.82 120.51 122.22 2qub n ALA 571 Ca 0.00 -0.48 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 2qub n ALA 571 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.67 6.53 0.00 0.00 0.15 -1.26 -4.95 113.70 110.50 2qub s SER 572 Ca -0.02 2.49 0.23 0.00 0.70 0.00 0.00 55.95 59.35 2qub s SER 572 Cb 0.13 -2.63 0.36 0.00 -1.71 0.00 0.00 66.02 62.17 2qub s SER 572 CO 0.78 -0.68 1.36 0.61 1.20 0.00 0.00 173.24 176.51 2qub n GLY 573 N 0.71 1.55 3.34 9.45 0.00 -1.26 -4.86 105.19 114.12 2qub n GLY 573 Ca 0.03 -0.72 -0.39 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 -1.60 5.51 0.55 1.61 3.84 -1.26 -4.82 114.94 118.77 2qub s ASN 574 Ca 0.36 -0.97 0.23 0.00 0.21 0.00 0.00 52.86 52.69 2qub s ASN 574 Cb 0.22 -1.96 1.46 0.00 -0.55 0.00 0.00 41.25 40.42 2qub s ASN 574 CO 0.31 -0.33 2.10 -0.29 -2.79 0.00 0.00 177.10 176.10 2qub h ILE 575 N 5.95 0.74 0.00 -5.21 6.09 -1.94 0.46 117.51 123.61 2qub h ILE 575 Ca -0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 2qub h ILE 575 Cb 1.10 0.88 0.00 0.00 0.47 0.00 0.00 36.82 39.27 2qub h ILE 575 CO 0.63 0.00 0.00 0.03 -3.07 0.00 0.00 178.15 175.74 2qub h ARG 576 N 0.00 0.00 0.00 2.19 3.08 -1.94 0.26 114.38 117.97 2qub h ARG 576 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qub h ARG 576 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2qub h ARG 576 CO -0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 2qub n ASP 577 N -2.70 0.51 -0.19 7.04 8.00 0.15 -3.22 116.55 126.15 2qub n ASP 577 Ca -0.01 0.61 0.06 0.00 0.71 0.00 0.00 54.79 56.17 2qub n ASP 577 Cb 0.16 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.51 2qub n ASP 577 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2qub n TYR 578 N -2.06 0.00 -3.89 1.24 4.01 0.90 -5.03 117.16 112.33 2qub n TYR 578 Ca 0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.41 2qub n TYR 578 Cb 0.24 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.71 3.70 -0.01 -0.72 0.00 -1.12 -1.92 121.76 119.97 2qub s ALA 579 Ca 0.08 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 2qub s ALA 579 Cb 0.09 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 21.24 2qub s ALA 579 CO 0.36 0.41 0.02 0.95 0.00 0.00 0.00 175.76 177.49 2qub s THR 580 N -0.37 -0.03 0.07 0.00 -4.23 -0.70 -5.00 115.64 105.38 2qub s THR 580 Ca 0.11 0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.42 2qub s THR 580 Cb -0.12 -0.05 -0.05 0.00 1.34 0.00 0.00 72.50 73.62 2qub s THR 580 CO 0.01 0.04 0.93 -1.58 -0.54 0.00 0.00 174.62 173.48 2qub s GLN 581 N 0.47 4.63 -0.24 3.99 2.00 -1.26 -1.34 119.66 127.90 2qub s GLN 581 Ca -0.04 1.37 -0.03 0.00 -2.00 0.00 0.00 55.36 54.66 2qub s GLN 581 Cb -0.06 -3.40 0.08 0.00 0.80 0.00 0.00 33.01 30.44 2qub s GLN 581 CO -0.01 0.16 0.09 -1.14 -0.50 0.00 0.00 175.29 173.88 2qub s GLN 582 N 0.26 0.38 4.94 1.67 0.74 0.13 -4.96 119.66 122.82 2qub s GLN 582 Ca 0.47 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.37 2qub s GLN 582 Cb -0.22 -1.72 0.00 0.00 1.10 0.00 0.00 33.01 32.17 2qub s GLN 582 CO 0.28 -0.84 0.00 0.09 -0.55 0.00 0.00 175.29 174.27 2qub n ASN 583 N 5.13 0.00 -0.39 6.67 4.13 -1.26 -1.05 115.26 128.49 2qub n ASN 583 Ca -0.06 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.26 2qub n ASN 583 Cb 0.45 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 38.91 2qub n ASN 583 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2qub n ASP 584 N 2.10 1.14 -4.65 6.41 8.00 -1.26 -4.87 116.55 123.42 2qub n ASP 584 Ca 0.00 -1.85 -0.30 0.00 0.71 0.00 0.00 54.79 53.35 2qub n ASP 584 Cb 0.00 -0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.21 4.80 -0.25 -2.24 1.01 -0.22 -1.96 116.67 116.60 2qub s ASP 585 Ca 0.21 -0.24 -0.06 0.00 0.71 0.00 0.00 52.55 53.17 2qub s ASP 585 Cb 0.11 -1.08 -0.01 0.00 1.01 0.00 0.00 42.92 42.95 2qub s ASP 585 CO 0.15 0.19 0.03 -0.22 0.21 0.00 0.00 175.17 175.53 2qub s LEU 586 N -2.20 3.34 -0.25 1.23 2.96 -0.43 -0.69 118.68 122.64 2qub s LEU 586 Ca 0.24 -0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 2qub s LEU 586 Cb -0.11 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2qub s LEU 586 CO 0.16 -0.06 0.14 -0.69 -1.32 0.00 0.00 176.35 174.57 2qub s VAL 587 N 1.54 5.02 -0.38 1.68 1.01 -0.45 -0.25 120.40 128.57 2qub s VAL 587 Ca 0.05 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2qub s VAL 587 Cb -0.15 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2qub s VAL 587 CO 0.01 0.32 0.21 -0.76 0.00 0.00 0.00 175.10 174.88 2qub s LEU 588 N 1.38 4.78 -0.22 3.92 1.43 -0.45 -1.72 118.68 127.81 2qub s LEU 588 Ca 0.06 -1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 51.96 2qub s LEU 588 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2qub s LEU 588 CO 0.06 -0.42 0.11 0.00 0.23 0.00 0.00 176.35 176.33 2qub s ALA 589 N 1.52 3.45 -0.49 4.21 0.00 -0.81 -1.39 121.76 128.24 2qub s ALA 589 Ca 0.02 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.16 2qub s ALA 589 Cb -0.20 -2.13 0.38 0.00 0.00 0.00 0.00 23.12 21.17 2qub s ALA 589 CO 0.05 -0.11 1.00 1.19 0.00 0.00 0.00 175.76 177.89 2qub n PHE 590 N 4.14 3.37 0.00 0.00 3.72 0.99 -4.86 117.46 124.81 2qub n PHE 590 Ca -0.16 -3.56 0.00 0.00 -0.05 0.00 0.00 57.45 53.68 2qub n PHE 590 Cb 0.52 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.30 3.02 0.15 1.37 0.00 -1.26 -1.79 105.19 106.37 2qub n GLY 591 Ca 0.33 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.59 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 8.52 0.75 -4.44 1.61 8.25 -1.26 -4.73 115.22 123.93 2qub n HIS 592 Ca 0.00 0.35 -0.23 0.00 -0.26 0.00 0.00 57.72 57.58 2qub n HIS 592 Cb 0.00 -1.06 -0.10 0.00 1.12 0.00 0.00 29.99 29.95 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 -4.10 3.34 -0.06 0.41 0.01 -0.74 -4.62 113.70 107.94 2qub s SER 593 Ca 0.00 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 55.95 2qub s SER 593 Cb 0.07 -0.26 0.11 0.00 0.21 0.00 0.00 66.02 66.16 2qub s SER 593 CO 0.28 0.00 0.97 0.00 0.41 0.00 0.00 173.24 174.90 2qub s GLN 594 N -3.44 0.68 -0.10 12.44 -2.07 -0.45 -0.01 119.66 126.71 2qub s GLN 594 Ca 0.27 -0.21 0.02 0.00 -1.82 0.00 0.00 55.36 53.61 2qub s GLN 594 Cb -0.04 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.20 2qub s GLN 594 CO 0.13 -0.29 -0.13 0.54 -1.32 0.00 0.00 175.29 174.21 2qub s VAL 595 N -2.76 1.34 -0.32 3.63 0.11 -0.49 -1.27 120.40 120.64 2qub s VAL 595 Ca 0.05 -0.55 -0.14 0.00 -2.93 0.00 0.00 61.98 58.42 2qub s VAL 595 Cb -0.01 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 2qub s VAL 595 CO -0.07 0.41 0.30 -0.89 -3.33 0.00 0.00 175.10 171.52 2qub s THR 596 N 1.01 5.22 -0.62 5.04 2.01 -0.61 -1.34 115.64 126.36 2qub s THR 596 Ca -0.07 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 2qub s THR 596 Cb -0.15 -3.71 0.09 0.00 0.01 0.00 0.00 72.50 68.74 2qub s THR 596 CO -0.01 0.04 0.82 -0.76 -0.69 0.00 0.00 174.62 174.02 2qub s LEU 597 N 1.91 4.92 0.09 4.42 1.02 0.66 -0.71 118.68 131.00 2qub s LEU 597 Ca 0.10 -1.22 -0.31 0.00 0.02 0.00 0.00 54.13 52.72 2qub s LEU 597 Cb -0.16 -2.36 -0.09 0.00 0.02 0.00 0.00 46.19 43.60 2qub s LEU 597 CO 0.11 -1.26 1.64 -0.63 0.02 0.00 0.00 176.35 176.23 2qub s ILE 598 N 3.32 2.92 -0.60 -0.59 1.09 -0.68 -1.31 121.20 125.34 2qub s ILE 598 Ca 0.16 0.45 0.00 0.00 -1.10 0.00 0.00 60.65 60.17 2qub s ILE 598 Cb -0.21 -3.29 0.00 0.00 -1.06 0.00 0.00 42.46 37.90 2qub s ILE 598 CO 0.08 0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.54 2qub n GLY 599 N 3.96 0.45 3.30 6.18 0.00 -0.83 -4.63 105.19 113.62 2qub n GLY 599 Ca 0.16 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.28 2.27 0.41 1.61 1.01 -0.93 -4.95 120.40 117.55 2qub s VAL 600 Ca 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.07 2qub s VAL 600 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2qub s VAL 600 CO 0.00 0.57 0.54 -0.94 0.00 0.00 0.00 175.10 175.26 2qub s SER 601 N -0.20 5.65 0.23 3.32 1.04 -1.26 -2.32 113.70 120.15 2qub s SER 601 Ca -0.02 -0.42 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 2qub s SER 601 Cb -0.13 -0.74 0.23 0.00 0.10 0.00 0.00 66.02 65.48 2qub s SER 601 CO 0.03 -0.70 1.73 0.25 0.98 0.00 0.00 173.24 175.53 2qub h LEU 602 N 0.72 0.90 -1.95 2.42 5.85 -1.96 -1.88 115.31 119.41 2qub h LEU 602 Ca -0.41 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.04 2qub h LEU 602 Cb 1.28 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2qub h LEU 602 CO 0.47 0.94 0.06 -0.90 -0.34 0.00 0.00 178.44 178.67 2qub n ASP 603 N -4.21 2.60 0.00 1.25 5.75 -1.26 -3.26 116.55 117.42 2qub n ASP 603 Ca 0.03 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 2qub n ASP 603 Cb 0.30 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 2qub n ASP 603 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2qub n HIS 604 N 0.21 0.00 -4.58 2.11 8.25 -0.71 -5.00 115.22 115.50 2qub n HIS 604 Ca 0.07 -0.03 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 2qub n HIS 604 Cb 0.56 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.07 3.53 -0.06 1.59 -1.09 -1.20 -4.84 121.20 119.06 2qub s ILE 605 Ca 0.00 -0.50 -0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2qub s ILE 605 Cb 0.00 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 2qub s ILE 605 CO 0.00 0.52 0.11 -0.55 -1.23 0.00 0.00 174.94 173.79 2qub s SER 606 N 0.18 5.97 0.53 3.58 0.15 -1.26 -4.99 113.70 117.85 2qub s SER 606 Ca -0.04 0.29 0.18 0.00 0.70 0.00 0.00 55.95 57.08 2qub s SER 606 Cb -0.14 -1.82 1.35 0.00 -1.71 0.00 0.00 66.02 63.70 2qub s SER 606 CO 0.04 0.34 2.16 0.71 1.20 0.00 0.00 173.24 177.68 2qub h THR 607 N 3.58 0.92 -0.01 6.45 1.35 -1.99 -0.60 112.91 122.61 2qub h THR 607 Ca -0.51 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2qub h THR 607 Cb 1.20 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2qub h THR 607 CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 2qub n ASP 608 N -4.44 0.38 -0.31 5.36 5.68 -1.26 -1.70 116.55 120.26 2qub n ASP 608 Ca -0.02 -1.18 0.15 0.00 -0.50 0.00 0.00 54.79 53.23 2qub n ASP 608 Cb 0.12 -0.00 0.67 0.00 -1.14 0.00 0.00 41.12 40.76 2qub n ASP 608 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qub n GLN 609 N -0.68 1.43 -4.47 0.11 6.02 -0.23 -4.92 117.38 114.65 2qub n GLN 609 Ca 0.21 -0.63 -0.22 0.00 -0.01 0.00 0.00 57.00 56.36 2qub n GLN 609 Cb 0.16 -1.48 -0.16 0.00 1.02 0.00 0.00 30.24 29.78 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 -2.00 0.91 -0.16 5.09 1.01 -0.69 -1.17 120.40 123.40 2qub s VAL 610 Ca 0.41 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2qub s VAL 610 Cb 0.21 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 2qub s VAL 610 CO 0.35 0.29 -0.08 -0.69 0.00 0.00 0.00 175.10 174.96 2qub s VAL 611 N 0.30 3.38 -0.30 2.92 1.01 0.01 -4.98 120.40 122.74 2qub s VAL 611 Ca -0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2qub s VAL 611 Cb -0.11 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.86 2qub s VAL 611 CO 0.01 0.49 -0.01 -0.76 0.00 0.00 0.00 175.10 174.83 2qub s LEU 612 N 0.66 3.88 0.00 3.92 1.43 -1.26 -1.22 118.68 126.09 2qub s LEU 612 Ca -0.04 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 2qub s LEU 612 Cb -0.15 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2qub s LEU 612 CO 0.02 -0.26 0.22 0.00 0.23 0.00 0.00 176.35 176.56