#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qeb n GLU 1 N 0.00 2.55 -3.20 3.17 2.13 -1.26 -5.01 120.64 119.03 2qeb n GLU 1 Ca 0.00 0.91 -0.18 0.00 0.66 0.00 0.00 57.16 58.55 2qeb n GLU 1 Cb 0.00 -2.69 -0.00 0.00 0.27 0.00 0.00 31.44 29.01 2qeb n GLU 1 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2qeb s THR 2 N 0.46 2.87 0.19 6.31 -4.23 -1.26 -4.56 115.64 115.42 2qeb s THR 2 Ca 0.70 -1.12 -0.12 0.00 -1.18 0.00 0.00 61.69 59.97 2qeb s THR 2 Cb -0.55 -2.98 0.12 0.00 1.34 0.00 0.00 72.50 70.43 2qeb s THR 2 CO 0.42 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.80 2qeb h VAL 3 N 0.76 0.71 -0.28 2.29 2.07 -1.90 -0.92 116.25 118.99 2qeb h VAL 3 Ca -0.40 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2qeb h VAL 3 Cb 1.28 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 2qeb h VAL 3 CO 0.49 0.05 -0.13 1.56 0.02 0.00 0.00 177.57 179.56 2qeb h GLN 4 N 0.26 -0.09 -0.34 1.57 1.08 -1.98 -0.55 115.11 115.05 2qeb h GLN 4 Ca 0.27 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.55 2qeb h GLN 4 Cb 0.36 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.73 2qeb h GLN 4 CO -0.34 -0.06 -0.23 -0.44 -0.95 0.00 0.00 178.83 176.81 2qeb h ASP 5 N -0.09 -0.76 -0.60 1.46 3.32 -1.78 0.29 116.42 118.25 2qeb h ASP 5 Ca 0.14 0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.46 2qeb h ASP 5 Cb 0.31 0.38 -0.09 0.00 0.22 0.00 0.00 39.33 40.16 2qeb h ASP 5 CO -0.34 -0.26 0.14 0.00 -1.72 0.00 0.00 179.24 177.06 2qeb h GLU 7 N 0.27 0.00 0.00 0.00 5.08 0.03 -2.81 114.58 117.15 2qeb h GLU 7 Ca 0.32 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.57 2qeb h GLU 7 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2qeb h GLU 7 CO -0.40 0.22 -0.51 -0.91 -1.00 0.00 0.00 179.01 176.41 2qeb h ASN 8 N 0.00 0.00 -0.56 1.42 2.35 0.13 -3.24 115.58 115.68 2qeb h ASN 8 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qeb h ASN 8 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2qeb h ASN 8 CO 0.03 0.51 0.00 2.29 -1.65 0.00 0.00 177.43 178.60 2qeb n LYS 9 N -3.74 3.55 -2.22 0.81 2.85 -0.84 -4.98 118.16 113.59 2qeb n LYS 9 Ca -0.01 -2.79 -0.36 0.00 -1.05 0.00 0.00 58.31 54.10 2qeb n LYS 9 Cb 0.55 -1.81 -0.00 0.00 -0.65 0.00 0.00 35.03 33.12 2qeb n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2qeb s LEU 10 N -1.87 3.90 0.52 -5.58 1.43 -1.16 -5.01 118.68 110.91 2qeb s LEU 10 Ca 0.47 2.30 -0.20 0.00 -1.03 0.00 0.00 54.13 55.66 2qeb s LEU 10 Cb 0.31 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 2qeb s LEU 10 CO 0.22 -1.08 1.14 -2.84 0.23 0.00 0.00 176.35 174.01 2qeb s PRO 11 N -2.92 3.48 0.41 1.29 0.02 -1.26 -4.67 135.00 131.36 2qeb s PRO 11 Ca 0.68 1.65 0.22 0.00 0.02 0.00 0.00 61.00 63.56 2qeb s PRO 11 Cb -0.28 -2.12 1.22 0.00 0.02 0.00 0.00 34.50 33.34 2qeb s PRO 11 CO 0.33 -0.75 1.71 -1.35 -0.33 0.00 0.00 177.00 176.61 2qeb h PRO 12 N 1.45 0.27 -0.11 5.54 0.11 -1.99 0.44 132.00 137.71 2qeb h PRO 12 Ca -0.50 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 2qeb h PRO 12 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2qeb h PRO 12 CO 0.58 0.18 -0.35 0.66 -0.21 0.00 0.00 178.00 178.86 2qeb h SER 13 N 0.28 0.23 0.46 -2.05 4.64 -2.02 -3.05 113.55 112.04 2qeb h SER 13 Ca 0.68 -0.09 -0.30 0.00 -0.47 0.00 0.00 61.79 61.62 2qeb h SER 13 Cb 1.90 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.90 2qeb h SER 13 CO -0.36 0.57 -1.58 -0.07 -0.87 0.00 0.00 176.83 174.52 2qeb h LEU 14 N 0.20 0.29 -1.36 5.97 3.38 -0.56 -3.33 115.31 119.90 2qeb h LEU 14 Ca 0.02 -0.45 0.23 0.00 0.09 0.00 0.00 57.88 57.77 2qeb h LEU 14 Cb 0.72 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2qeb h LEU 14 CO 0.05 1.38 0.63 0.11 0.09 0.00 0.00 178.44 180.71 2qeb h LYS 15 N 0.05 0.45 0.00 1.13 1.57 -0.93 -1.78 116.57 117.06 2qeb h LYS 15 Ca -0.26 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2qeb h LYS 15 Cb 2.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.21 2qeb h LYS 15 CO 0.13 0.30 0.00 0.77 -0.57 0.00 0.00 179.45 180.08 2qeb h SER 16 N 0.47 0.00 -0.39 0.86 0.02 -1.65 -2.83 113.55 110.03 2qeb h SER 16 Ca 0.54 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.31 2qeb h SER 16 Cb 1.26 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.69 2qeb h SER 16 CO -0.26 0.00 -0.01 0.54 -1.14 0.00 0.00 176.83 175.96 2qeb n ARG 17 N -2.61 2.05 -0.24 3.45 1.74 -0.68 -4.75 116.66 115.62 2qeb n ARG 17 Ca 0.04 -3.12 0.03 0.00 -0.77 0.00 0.00 57.85 54.03 2qeb n ARG 17 Cb 0.41 -1.85 0.15 0.00 -1.02 0.00 0.00 32.46 30.15 2qeb n ARG 17 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qeb h LEU 18 N 1.13 0.37 -1.28 0.55 5.85 -1.38 -1.34 115.31 119.20 2qeb h LEU 18 Ca 0.22 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 2qeb h LEU 18 Cb 1.73 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 2qeb h LEU 18 CO 0.42 0.19 -0.33 0.00 -0.34 0.00 0.00 178.44 178.38 2qeb h GLU 20 N 0.04 0.45 -0.50 0.00 5.08 -1.71 -1.86 114.58 116.07 2qeb h GLU 20 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2qeb h GLU 20 Cb 0.61 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2qeb h GLU 20 CO 0.04 0.82 0.33 0.82 -1.00 0.00 0.00 179.01 180.02 2qeb h ILE 21 N 0.10 1.13 0.00 3.13 2.04 -0.58 -1.26 117.51 122.06 2qeb h ILE 21 Ca 0.02 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2qeb h ILE 21 Cb 0.75 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2qeb h ILE 21 CO 0.05 0.13 -0.04 0.03 0.00 0.00 0.00 178.15 178.32 2qeb h ARG 22 N 0.68 0.00 -0.16 2.37 3.08 -0.56 0.57 114.38 120.35 2qeb h ARG 22 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2qeb h ARG 22 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2qeb h ARG 22 CO -0.04 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 2qeb n ARG 23 N -3.21 1.43 -2.05 0.04 1.74 -0.64 -4.90 116.66 109.08 2qeb n ARG 23 Ca -0.01 -0.67 -0.16 0.00 -0.77 0.00 0.00 57.85 56.25 2qeb n ARG 23 Cb 0.24 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 2qeb n ARG 23 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qeb n TYR 24 N -0.01 -0.53 -2.33 -1.55 4.01 0.19 -4.98 117.16 111.96 2qeb n TYR 24 Ca 0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.42 2qeb n TYR 24 Cb 0.18 -3.10 -0.03 0.00 -0.31 0.00 0.00 39.34 36.08 2qeb n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2qeb s GLU 25 N -4.36 4.41 -0.17 -0.72 2.02 -0.57 -4.98 118.70 114.33 2qeb s GLU 25 Ca 0.00 1.89 -0.29 0.00 0.02 0.00 0.00 54.97 56.59 2qeb s GLU 25 Cb 0.00 -3.29 -0.00 0.00 0.10 0.00 0.00 34.13 30.94 2qeb s GLU 25 CO 0.00 -0.28 1.02 0.42 0.02 0.00 0.00 175.26 176.44 2qeb s ILE 26 N 0.86 4.73 -0.12 -1.63 1.01 -1.26 -4.58 121.20 120.21 2qeb s ILE 26 Ca 0.59 2.03 0.01 0.00 0.00 0.00 0.00 60.65 63.29 2qeb s ILE 26 Cb -0.32 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 37.85 2qeb s ILE 26 CO 0.31 -0.09 -0.12 -0.63 0.00 0.00 0.00 174.94 174.41 2qeb s ILE 27 N 2.61 1.35 0.49 2.92 1.01 -1.26 -5.14 121.20 123.18 2qeb s ILE 27 Ca 0.46 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 2qeb s ILE 27 Cb -0.17 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 2qeb s ILE 27 CO 0.12 0.42 0.85 -1.61 0.00 0.00 0.00 174.94 174.71 2qeb s GLU 28 N 1.29 3.65 0.00 2.79 0.41 -1.26 -4.77 118.70 120.81 2qeb s GLU 28 Ca -0.01 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 2qeb s GLU 28 Cb -0.14 -2.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 2qeb s GLU 28 CO -0.05 -0.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.89 2qeb n GLY 29 N -2.04 2.46 0.14 -1.39 0.00 -1.26 -4.77 105.19 98.33 2qeb n GLY 29 Ca 0.03 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 44.14 2qeb n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qeb h PRO 30 N 0.00 0.00 0.00 1.61 0.13 -1.99 0.17 132.00 131.92 2qeb h PRO 30 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 2qeb h PRO 30 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2qeb h PRO 30 CO 0.00 0.00 -1.13 0.93 -0.23 0.00 0.00 178.00 177.57 2qeb h GLU 31 N 0.00 0.00 -0.02 0.86 4.39 -1.98 -3.06 114.58 114.77 2qeb h GLU 31 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 2qeb h GLU 31 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2qeb h GLU 31 CO 0.00 0.48 -0.89 0.52 -1.16 0.00 0.00 179.01 177.96 2qeb h MET 32 N 0.00 0.42 -0.76 2.33 2.86 -1.00 -1.60 114.93 117.18 2qeb h MET 32 Ca -0.11 -0.42 0.06 0.00 -2.06 0.00 0.00 59.70 57.17 2qeb h MET 32 Cb 1.61 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 33.34 2qeb h MET 32 CO 0.07 1.08 0.50 -0.44 1.06 0.00 0.00 176.91 179.18 2qeb h ASP 33 N 0.25 0.71 0.04 1.22 3.32 -1.44 0.72 116.42 121.24 2qeb h ASP 33 Ca -0.07 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.76 2qeb h ASP 33 Cb 1.51 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 40.93 2qeb h ASP 33 CO 0.15 0.46 -0.92 0.11 -1.72 0.00 0.00 179.24 177.33 2qeb h LYS 34 N 0.81 0.54 -0.42 3.56 1.57 -1.50 -2.93 116.57 118.21 2qeb h LYS 34 Ca 0.32 -0.64 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 2qeb h LYS 34 Cb 0.23 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2qeb h LYS 34 CO -0.11 1.26 0.03 1.25 -0.57 0.00 0.00 179.45 181.31 2qeb h HIS 35 N 0.12 0.77 -0.14 -1.35 2.76 -0.96 -1.53 115.15 114.81 2qeb h HIS 35 Ca -0.13 -0.12 -0.13 0.00 -2.20 0.00 0.00 60.37 57.79 2qeb h HIS 35 Cb 1.61 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 2qeb h HIS 35 CO 0.13 0.76 -0.48 0.82 -1.30 0.00 0.00 177.93 177.86 2qeb h ILE 36 N 0.55 1.33 -0.51 6.26 1.08 -0.96 -0.82 117.51 124.44 2qeb h ILE 36 Ca 0.12 -1.69 -0.01 0.00 -0.39 0.00 0.00 64.86 62.89 2qeb h ILE 36 Cb 0.43 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 2qeb h ILE 36 CO 0.01 0.51 0.26 -0.74 -0.69 0.00 0.00 178.15 177.51 2qeb h HIS 37 N 0.30 0.71 0.36 1.37 -0.00 -1.48 -0.38 115.15 116.04 2qeb h HIS 37 Ca 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2qeb h HIS 37 Cb 0.95 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 2qeb h HIS 37 CO 0.03 0.55 -0.49 0.00 -0.00 0.00 0.00 177.93 178.01 2qeb h VAL 39 N -0.89 1.20 -0.05 0.00 -1.51 -1.14 -0.40 116.25 113.45 2qeb h VAL 39 Ca -0.04 -0.81 -0.16 0.00 -1.23 0.00 0.00 66.70 64.46 2qeb h VAL 39 Cb 0.81 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 2qeb h VAL 39 CO -0.13 0.27 -0.69 0.24 -1.23 0.00 0.00 177.57 176.03 2qeb h MET 40 N 0.44 0.25 -0.17 5.19 2.86 -0.92 -1.91 114.93 120.68 2qeb h MET 40 Ca 0.09 -0.19 -0.19 0.00 -2.06 0.00 0.00 59.70 57.35 2qeb h MET 40 Cb 0.36 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2qeb h MET 40 CO 0.01 0.84 -0.65 0.00 1.06 0.00 0.00 176.91 178.17 2qeb h ARG 41 N 0.17 0.62 -0.68 1.72 2.47 -1.03 0.20 114.38 117.84 2qeb h ARG 41 Ca -0.02 -0.44 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 2qeb h ARG 41 Cb 1.23 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.59 2qeb h ARG 41 CO 0.11 1.06 0.40 0.00 0.56 0.00 0.00 179.97 182.10 2qeb h ALA 42 N 0.83 1.43 -0.25 0.04 0.00 -0.82 -1.42 119.26 119.06 2qeb h ALA 42 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qeb h ALA 42 Cb 1.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qeb h ALA 42 CO 0.13 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.14 2qeb n LEU 43 N -4.39 2.59 -1.04 0.00 4.77 -0.74 -4.85 117.00 113.34 2qeb n LEU 43 Ca 0.07 -1.08 -0.09 0.00 -0.03 0.00 0.00 56.01 54.88 2qeb n LEU 43 Cb 0.07 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2qeb n LEU 43 CO 0.37 0.54 -0.12 -0.67 -1.33 0.00 0.00 177.39 176.18 2qeb n ASP 44 N 0.94 -3.17 0.06 -1.43 2.03 -0.54 -4.93 116.55 109.52 2qeb n ASP 44 Ca 0.17 -0.01 0.11 0.00 0.52 0.00 0.00 54.79 55.59 2qeb n ASP 44 Cb 0.48 -2.44 0.01 0.00 -0.72 0.00 0.00 41.12 38.45 2qeb n ASP 44 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2qeb n PHE 45 N -4.00 0.54 -4.34 -0.67 3.72 0.61 -4.91 117.46 108.41 2qeb n PHE 45 Ca -0.11 0.16 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 2qeb n PHE 45 Cb 0.58 -0.67 -0.11 0.00 -0.94 0.00 0.00 39.48 38.33 2qeb n PHE 45 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2qeb s VAL 46 N -3.29 1.86 0.92 -4.37 -7.23 -1.21 -1.22 120.40 105.85 2qeb s VAL 46 Ca 0.01 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.12 2qeb s VAL 46 Cb 0.12 -1.87 0.14 0.00 0.56 0.00 0.00 36.38 35.34 2qeb s VAL 46 CO 0.80 -0.31 1.16 -0.31 -0.31 0.00 0.00 175.10 176.13 2qeb s TYR 47 N -2.04 2.39 0.51 2.82 2.02 0.95 -4.77 117.35 119.24 2qeb s TYR 47 Ca 0.16 0.77 0.17 0.00 -0.37 0.00 0.00 57.07 57.80 2qeb s TYR 47 Cb -0.06 -3.47 1.26 0.00 -0.40 0.00 0.00 41.96 39.29 2qeb s TYR 47 CO 0.07 -2.38 2.12 0.93 -1.57 0.00 0.00 175.55 174.72 2qeb h GLU 48 N -1.50 0.00 -0.05 -0.62 5.08 -2.02 0.81 114.58 116.28 2qeb h GLU 48 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2qeb h GLU 48 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2qeb h GLU 48 CO 0.59 0.04 0.00 -0.40 -1.00 0.00 0.00 179.01 178.24 2qeb n ASP 49 N -4.42 1.27 0.00 1.42 5.75 -1.26 -4.91 116.55 114.40 2qeb n ASP 49 Ca -0.03 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 2qeb n ASP 49 Cb 0.12 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2qeb n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qeb n GLY 50 N 1.12 0.58 3.74 6.12 0.00 0.28 -4.71 105.19 112.32 2qeb n GLY 50 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2qeb n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qeb s ARG 51 N -0.88 4.24 0.38 1.61 3.52 -1.25 -2.79 118.95 123.79 2qeb s ARG 51 Ca 0.00 2.34 -0.27 0.00 -0.13 0.00 0.00 55.73 57.67 2qeb s ARG 51 Cb 0.00 -3.10 -0.10 0.00 -1.56 0.00 0.00 34.95 30.19 2qeb s ARG 51 CO 0.00 -0.46 1.38 0.20 -0.81 0.00 0.00 175.30 175.62 2qeb s GLY 52 N 0.40 2.95 -0.47 8.12 0.00 -1.26 -0.03 107.32 117.04 2qeb s GLY 52 Ca 0.60 1.39 -0.15 0.00 0.00 0.00 0.00 44.72 46.56 2qeb s GLY 52 CO 0.44 2.03 0.38 -0.35 0.00 0.00 0.00 173.10 175.60 2qeb s ASP 53 N -0.44 6.10 0.27 1.64 -1.08 -0.36 -4.80 116.67 118.01 2qeb s ASP 53 Ca 0.54 -1.33 -0.01 0.00 -0.52 0.00 0.00 52.55 51.23 2qeb s ASP 53 Cb -0.42 -2.17 0.60 0.00 -1.46 0.00 0.00 42.92 39.47 2qeb s ASP 53 CO 0.56 -0.63 1.67 0.22 0.52 0.00 0.00 175.17 177.50 2qeb h TYR 54 N 8.72 0.34 0.00 -5.34 3.20 -1.93 -2.22 116.97 119.73 2qeb h TYR 54 Ca -0.28 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2qeb h TYR 54 Cb 1.11 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.36 2qeb h TYR 54 CO 0.63 -0.14 -0.11 0.72 -1.64 0.00 0.00 178.16 177.62 2qeb n HIS 55 N -5.18 0.34 0.87 -3.82 8.25 -1.26 -1.02 115.22 113.40 2qeb n HIS 55 Ca 0.18 0.10 0.13 0.00 -0.26 0.00 0.00 57.72 57.87 2qeb n HIS 55 Cb 0.58 -0.62 0.55 0.00 1.12 0.00 0.00 29.99 31.61 2qeb n HIS 55 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qeb n LYS 56 N -1.79 0.03 0.00 -0.41 4.76 -0.84 -4.36 118.16 115.55 2qeb n LYS 56 Ca 0.06 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2qeb n LYS 56 Cb 0.38 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2qeb n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qeb n LEU 57 N -1.58 0.37 0.08 -0.35 4.77 -0.73 -4.67 117.00 114.89 2qeb n LEU 57 Ca 0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 2qeb n LEU 57 Cb 0.32 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2qeb n LEU 57 CO 0.25 0.06 0.76 0.22 -1.33 0.00 0.00 177.39 177.35 2qeb h TYR 58 N 0.00 -0.40 0.01 -1.77 3.20 -1.28 0.60 116.97 117.32 2qeb h TYR 58 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2qeb h TYR 58 Cb 0.75 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2qeb h TYR 58 CO 0.00 -0.23 -0.00 -0.44 -1.64 0.00 0.00 178.16 175.85 2qeb h ASP 59 N -0.28 -0.01 -0.77 -2.11 3.32 -1.85 -2.32 116.42 112.40 2qeb h ASP 59 Ca 0.04 -0.50 0.10 0.00 0.02 0.00 0.00 57.03 56.68 2qeb h ASP 59 Cb 0.32 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 2qeb h ASP 59 CO -0.12 0.50 0.41 -0.65 -1.72 0.00 0.00 179.24 177.67 2qeb h PRO 60 N -0.51 0.67 -0.07 3.56 0.11 -1.81 0.44 132.00 134.40 2qeb h PRO 60 Ca -0.00 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.08 2qeb h PRO 60 Cb 0.51 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2qeb h PRO 60 CO 0.00 0.45 0.01 -0.07 -0.21 0.00 0.00 178.00 178.18 2qeb h LEU 61 N 0.69 0.00 -1.62 2.35 3.38 -0.86 -2.32 115.31 116.94 2qeb h LEU 61 Ca 0.38 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 2qeb h LEU 61 Cb 0.38 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qeb h LEU 61 CO -0.26 0.01 -0.18 0.78 0.09 0.00 0.00 178.44 178.88 2qeb h ASN 62 N 0.04 0.00 -0.17 -0.43 2.35 -0.86 0.49 115.58 117.00 2qeb h ASN 62 Ca 0.03 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.57 2qeb h ASN 62 Cb 0.02 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.40 2qeb h ASN 62 CO -0.04 0.18 -0.71 0.40 -1.65 0.00 0.00 177.43 175.61 2qeb h ILE 63 N 0.00 1.29 -0.01 2.81 2.04 -0.70 -2.47 117.51 120.47 2qeb h ILE 63 Ca -0.00 -1.91 -0.21 0.00 1.00 0.00 0.00 64.86 63.74 2qeb h ILE 63 Cb 0.49 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2qeb h ILE 63 CO 0.02 0.61 -0.87 0.40 0.00 0.00 0.00 178.15 178.31 2qeb h ILE 64 N 0.50 1.43 -1.22 -0.67 2.04 -1.05 -3.43 117.51 115.12 2qeb h ILE 64 Ca -0.04 -2.45 -0.10 0.00 1.00 0.00 0.00 64.86 63.27 2qeb h ILE 64 Cb 1.34 2.38 -0.22 0.00 -0.74 0.00 0.00 36.82 39.57 2qeb h ILE 64 CO 0.15 0.73 -0.48 -0.70 0.00 0.00 0.00 178.15 177.84 2qeb s GLU 65 N -3.31 0.68 0.02 2.37 2.56 0.13 -5.08 118.70 116.08 2qeb s GLU 65 Ca -0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 54.97 54.50 2qeb s GLU 65 Cb 0.10 -0.03 -0.11 0.00 2.00 0.00 0.00 34.13 36.09 2qeb s GLU 65 CO 0.85 -1.14 1.89 -0.11 -0.56 0.00 0.00 175.26 176.18 2qeb n LEU 66 N 4.75 3.82 -3.48 2.70 7.94 -0.93 -4.27 117.00 127.53 2qeb n LEU 66 Ca 0.08 0.96 0.01 0.00 -1.11 0.00 0.00 56.01 55.95 2qeb n LEU 66 Cb 0.54 -1.47 -0.04 0.00 0.53 0.00 0.00 43.42 42.98 2qeb n LEU 66 CO 0.00 0.08 0.42 -0.62 -1.11 0.00 0.00 177.39 176.15 2qeb s ASP 67 N 3.69 -0.89 0.61 1.96 -1.08 -1.26 -5.02 116.67 114.67 2qeb s ASP 67 Ca 0.88 1.12 0.40 0.00 -0.52 0.00 0.00 52.55 54.43 2qeb s ASP 67 Cb -0.55 1.97 2.09 0.00 -1.46 0.00 0.00 42.92 44.97 2qeb s ASP 67 CO 0.44 -0.17 2.22 0.07 0.52 0.00 0.00 175.17 178.25 2qeb h LYS 68 N 7.78 0.00 0.00 4.34 2.10 -2.02 -2.59 116.57 126.19 2qeb h LYS 68 Ca -0.17 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.44 2qeb h LYS 68 Cb 1.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2qeb h LYS 68 CO 0.10 0.00 -0.17 0.00 -2.00 0.00 0.00 179.45 177.37 2qeb h ARG 69 N 0.00 0.00 -0.33 0.07 3.08 -1.98 -3.15 114.38 112.07 2qeb h ARG 69 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2qeb h ARG 69 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2qeb h ARG 69 CO 0.00 0.17 0.20 0.45 -1.07 0.00 0.00 179.97 179.72 2qeb h HIS 70 N 0.00 0.37 -0.31 3.04 3.86 -1.86 0.55 115.15 120.80 2qeb h HIS 70 Ca -0.00 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 2qeb h HIS 70 Cb 0.54 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 2qeb h HIS 70 CO 0.00 0.22 -0.10 0.22 0.86 0.00 0.00 177.93 179.13 2qeb h ASP 71 N 0.40 -0.35 -0.27 2.45 3.58 -1.75 0.95 116.42 121.43 2qeb h ASP 71 Ca 0.13 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2qeb h ASP 71 Cb -0.01 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2qeb h ASP 71 CO -0.06 -0.13 0.12 0.58 -2.88 0.00 0.00 179.24 176.87 2qeb h VAL 72 N -0.03 1.16 -0.57 2.25 2.07 -1.41 -1.98 116.25 117.75 2qeb h VAL 72 Ca 0.16 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2qeb h VAL 72 Cb 0.27 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2qeb h VAL 72 CO -0.34 0.17 0.18 0.78 0.02 0.00 0.00 177.57 178.38 2qeb h ASN 73 N 0.29 0.82 -0.19 0.57 -0.26 0.29 -1.13 115.58 115.97 2qeb h ASN 73 Ca 0.09 -0.20 0.02 0.00 -0.56 0.00 0.00 56.30 55.65 2qeb h ASN 73 Cb 0.15 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 2qeb h ASN 73 CO -0.01 0.80 0.04 -0.07 -1.06 0.00 0.00 177.43 177.14 2qeb h LEU 74 N 0.79 0.03 -0.51 1.61 3.38 -0.74 0.28 115.31 120.15 2qeb h LEU 74 Ca 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2qeb h LEU 74 Cb 0.27 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2qeb h LEU 74 CO -0.01 0.04 0.28 -0.33 0.09 0.00 0.00 178.44 178.51 2qeb h GLU 75 N 0.13 0.72 -0.44 1.13 4.39 -1.20 0.31 114.58 119.61 2qeb h GLU 75 Ca 0.09 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qeb h GLU 75 Cb 0.07 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2qeb h GLU 75 CO -0.11 0.57 0.29 -0.22 -1.16 0.00 0.00 179.01 178.38 2qeb h LYS 76 N 0.68 0.58 -0.11 2.33 3.64 -1.00 -0.20 116.57 122.49 2qeb h LYS 76 Ca 0.18 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.32 2qeb h LYS 76 Cb 0.06 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2qeb h LYS 76 CO -0.03 0.39 -0.75 0.00 -2.27 0.00 0.00 179.45 176.79 2qeb h ILE 78 N 0.39 1.05 -0.54 0.00 2.04 -0.87 -1.88 117.51 117.70 2qeb h ILE 78 Ca -0.04 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 65.73 2qeb h ILE 78 Cb 1.35 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 2qeb h ILE 78 CO 0.14 0.10 0.12 1.23 0.00 0.00 0.00 178.15 179.74 2qeb h GLY 79 N 0.55 0.68 1.38 5.37 0.00 -0.81 -2.42 103.07 107.82 2qeb h GLY 79 Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 2qeb h GLY 79 CO -0.08 -0.07 -0.12 0.83 0.00 0.00 0.00 176.54 177.10 2qeb h GLU 80 N 0.26 0.73 0.00 4.80 5.08 -1.00 -3.24 114.58 121.22 2qeb h GLU 80 Ca 0.27 -0.24 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 2qeb h GLU 80 Cb 0.37 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2qeb h GLU 80 CO -0.34 0.82 -0.85 0.00 -1.00 0.00 0.00 179.01 177.64 2qeb n VAL 82 N -3.57 0.52 -0.78 0.00 0.24 -0.95 -2.80 118.33 110.99 2qeb n VAL 82 Ca -0.01 -0.03 0.08 0.00 -2.04 0.00 0.00 64.34 62.34 2qeb n VAL 82 Cb 0.80 -0.73 0.32 0.00 -1.47 0.00 0.00 33.84 32.77 2qeb n VAL 82 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qeb n GLN 83 N -1.93 3.74 -4.38 7.34 10.64 -1.18 -4.90 117.38 126.70 2qeb n GLN 83 Ca 0.05 -2.87 -0.25 0.00 -1.83 0.00 0.00 57.00 52.10 2qeb n GLN 83 Cb 0.33 -1.93 -0.12 0.00 -0.86 0.00 0.00 30.24 27.67 2qeb n GLN 83 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2qeb s VAL 84 N -2.35 2.11 0.82 -0.39 -7.23 -1.12 -5.12 120.40 107.11 2qeb s VAL 84 Ca 0.46 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.55 2qeb s VAL 84 Cb 0.34 -1.98 0.09 0.00 0.56 0.00 0.00 36.38 35.39 2qeb s VAL 84 CO 0.16 -0.20 1.17 -2.16 -0.31 0.00 0.00 175.10 173.76 2qeb s PRO 85 N -2.69 1.62 0.51 4.82 0.04 -1.26 -4.60 135.00 133.44 2qeb s PRO 85 Ca 0.18 1.60 0.31 0.00 0.04 0.00 0.00 61.00 63.13 2qeb s PRO 85 Cb -0.07 -1.79 1.68 0.00 0.04 0.00 0.00 34.50 34.35 2qeb s PRO 85 CO 0.08 -2.19 1.93 0.00 0.04 0.00 0.00 177.00 176.86 2qeb h THR 86 N -1.13 0.00 0.00 1.26 1.03 -1.93 -1.90 112.91 110.24 2qeb h THR 86 Ca -0.45 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.94 2qeb h THR 86 Cb 1.28 0.68 -0.00 0.00 -1.07 0.00 0.00 68.15 69.04 2qeb h THR 86 CO 0.46 0.00 -0.05 0.77 -0.01 0.00 0.00 175.52 176.69 2qeb h SER 87 N 0.00 0.00 0.00 0.00 4.64 -1.87 -3.25 113.55 113.06 2qeb h SER 87 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qeb h SER 87 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2qeb h SER 87 CO 0.00 0.05 0.00 -1.84 -0.87 0.00 0.00 176.83 174.17 2qeb n GLU 88 N -3.12 0.78 -0.10 4.77 0.28 -0.73 -4.52 120.64 118.00 2qeb n GLU 88 Ca 0.03 -0.74 -0.07 0.00 -0.16 0.00 0.00 57.16 56.22 2qeb n GLU 88 Cb 0.49 -0.76 0.01 0.00 1.43 0.00 0.00 31.44 32.60 2qeb n GLU 88 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2qeb h ARG 89 N 0.00 0.29 -0.37 3.44 2.43 -1.55 0.20 114.38 118.83 2qeb h ARG 89 Ca 0.00 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 2qeb h ARG 89 Cb 0.55 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2qeb h ARG 89 CO 0.00 0.19 -0.41 0.00 -1.51 0.00 0.00 179.97 178.24 2qeb h ALA 90 N 1.19 0.57 -0.44 2.80 0.00 -1.79 -0.82 119.26 120.77 2qeb h ALA 90 Ca 0.15 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2qeb h ALA 90 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qeb h ALA 90 CO -0.13 0.68 0.08 1.25 0.00 0.00 0.00 179.25 181.14 2qeb h HIS 91 N 0.75 0.76 -0.59 0.00 -0.00 -1.74 -0.97 115.15 113.36 2qeb h HIS 91 Ca 0.05 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 2qeb h HIS 91 Cb 1.01 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.18 2qeb h HIS 91 CO 0.06 0.72 0.19 0.28 -0.00 0.00 0.00 177.93 179.18 2qeb h VAL 92 N 0.58 1.23 -0.37 5.26 2.07 -0.42 0.06 116.25 124.65 2qeb h VAL 92 Ca 0.13 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2qeb h VAL 92 Cb 0.36 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2qeb h VAL 92 CO 0.01 0.30 0.18 0.15 0.02 0.00 0.00 177.57 178.22 2qeb h PHE 93 N 0.86 0.54 0.15 1.57 3.57 -0.99 -1.71 116.94 120.93 2qeb h PHE 93 Ca 0.20 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2qeb h PHE 93 Cb 0.25 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2qeb h PHE 93 CO 0.02 0.46 -0.11 -0.92 -2.23 0.00 0.00 178.31 175.53 2qeb h TYR 94 N 0.47 -0.27 -0.16 0.41 3.20 -0.78 -1.74 116.97 118.09 2qeb h TYR 94 Ca 0.13 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.00 2qeb h TYR 94 Cb 0.12 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2qeb h TYR 94 CO -0.01 -0.17 0.09 0.87 -1.64 0.00 0.00 178.16 177.31 2qeb h LYS 95 N -0.25 0.19 -0.53 1.82 1.57 -1.01 -1.37 116.57 117.00 2qeb h LYS 95 Ca -0.01 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2qeb h LYS 95 Cb 0.22 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 2qeb h LYS 95 CO -0.00 0.13 0.10 0.00 -0.57 0.00 0.00 179.45 179.11 2qeb h LEU 97 N 0.24 0.51 -1.65 0.00 3.38 -1.04 -2.44 115.31 114.32 2qeb h LEU 97 Ca 0.27 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2qeb h LEU 97 Cb 0.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qeb h LEU 97 CO -0.35 0.56 -0.18 -0.07 0.09 0.00 0.00 178.44 178.49 2qeb h LEU 98 N 0.43 0.00 0.00 1.67 3.38 -0.86 -1.67 115.31 118.26 2qeb h LEU 98 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2qeb h LEU 98 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2qeb h LEU 98 CO -0.01 0.18 -0.73 0.11 0.09 0.00 0.00 178.44 178.08 2qeb h LYS 99 N 0.00 0.00 -7.59 1.13 1.57 -1.20 -3.39 116.57 107.09 2qeb h LYS 99 Ca -0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 2qeb h LYS 99 Cb 0.31 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.74 2qeb h LYS 99 CO 0.02 0.47 0.36 -1.54 -0.57 0.00 0.00 179.45 178.20 2qeb s SER 100 N -6.31 3.89 0.65 0.86 1.04 -0.84 -4.91 113.70 108.08 2qeb s SER 100 Ca 0.02 0.78 0.41 0.00 0.48 0.00 0.00 55.95 57.65 2qeb s SER 100 Cb 0.08 -1.25 2.29 0.00 0.10 0.00 0.00 66.02 67.24 2qeb s SER 100 CO 0.76 -2.30 2.34 0.00 0.98 0.00 0.00 173.24 175.03 2qeb h THR 101 N -1.33 0.12 0.00 2.02 1.03 -1.89 -1.74 112.91 111.12 2qeb h THR 101 Ca -0.47 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 2qeb h THR 101 Cb 1.32 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 2qeb h THR 101 CO 0.60 0.00 0.00 0.74 -0.01 0.00 0.00 175.52 176.86 2qeb h THR 102 N 0.00 0.00 -0.78 0.00 2.02 -1.91 -3.31 112.91 108.94 2qeb h THR 102 Ca -0.00 -0.53 0.13 0.00 0.77 0.00 0.00 66.41 66.78 2qeb h THR 102 Cb 0.01 1.48 -0.09 0.00 -1.74 0.00 0.00 68.15 67.81 2qeb h THR 102 CO 0.00 0.00 0.36 1.23 0.37 0.00 0.00 175.52 177.48 2qeb h GLY 103 N 2.52 1.21 0.50 2.16 0.00 -0.41 0.23 103.07 109.27 2qeb h GLY 103 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 47.33 47.23 2qeb h GLY 103 CO 0.00 -0.04 0.47 -0.09 0.00 0.00 0.00 176.54 176.89 2qeb h ARG 104 N 0.55 0.76 0.12 4.80 2.43 -1.79 -1.49 114.38 119.76 2qeb h ARG 104 Ca 0.41 -0.05 -0.32 0.00 -0.81 0.00 0.00 59.98 59.22 2qeb h ARG 104 Cb 0.57 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2qeb h ARG 104 CO -0.35 0.51 -1.64 1.15 -1.51 0.00 0.00 179.97 178.12 2qeb h THR 105 N 0.79 1.03 -0.68 0.20 2.02 -1.56 -3.31 112.91 111.39 2qeb h THR 105 Ca 0.41 -2.69 0.13 0.00 0.77 0.00 0.00 66.41 65.03 2qeb h THR 105 Cb 0.39 2.70 -0.09 0.00 -1.74 0.00 0.00 68.15 69.40 2qeb h THR 105 CO -0.26 0.80 0.22 0.15 0.37 0.00 0.00 175.52 176.81 2qeb h PHE 106 N 0.07 0.37 -0.89 3.16 3.57 -0.26 -0.56 116.94 122.39 2qeb h PHE 106 Ca -0.28 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.33 2qeb h PHE 106 Cb 2.03 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.65 2qeb h PHE 106 CO 0.06 0.02 0.58 0.87 -2.23 0.00 0.00 178.31 177.62 2qeb h LYS 107 N 0.36 0.94 -0.23 1.11 1.57 -1.37 0.95 116.57 119.89 2qeb h LYS 107 Ca 0.37 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.89 2qeb h LYS 107 Cb 0.55 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2qeb h LYS 107 CO -0.40 0.62 -0.64 0.87 -0.57 0.00 0.00 179.45 179.33 2qeb h LYS 108 N 0.96 0.83 -0.40 3.15 1.57 -1.28 -0.82 116.57 120.58 2qeb h LYS 108 Ca 0.40 -0.58 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 2qeb h LYS 108 Cb 0.28 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2qeb h LYS 108 CO -0.16 1.20 0.08 0.28 -0.57 0.00 0.00 179.45 180.29 2qeb h VAL 109 N 0.61 1.23 0.22 0.50 2.07 -0.59 -1.53 116.25 118.76 2qeb h VAL 109 Ca -0.01 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2qeb h VAL 109 Cb 1.26 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2qeb h VAL 109 CO 0.14 0.28 -0.15 0.15 0.02 0.00 0.00 177.57 178.01 2qeb h PHE 110 N 0.51 -0.39 -0.60 1.57 3.57 -0.82 -1.38 116.94 119.39 2qeb h PHE 110 Ca 0.12 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.74 2qeb h PHE 110 Cb 0.34 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.13 2qeb h PHE 110 CO 0.02 -0.24 0.09 -0.44 -2.23 0.00 0.00 178.31 175.51 2qeb h ASP 111 N -0.37 -0.09 -0.24 0.41 3.32 -1.09 -1.05 116.42 117.32 2qeb h ASP 111 Ca -0.02 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2qeb h ASP 111 Cb 0.32 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2qeb h ASP 111 CO 0.01 -0.03 0.09 -0.07 -1.72 0.00 0.00 179.24 177.51 2qeb h LEU 112 N 0.21 0.34 -1.15 1.55 3.38 -1.14 -2.68 115.31 115.82 2qeb h LEU 112 Ca 0.32 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2qeb h LEU 112 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2qeb h LEU 112 CO -0.44 0.43 0.13 -0.03 0.09 0.00 0.00 178.44 178.61 2qeb h MET 113 N 0.22 0.73 0.33 1.13 4.05 -0.94 -0.33 114.93 120.13 2qeb h MET 113 Ca 0.08 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2qeb h MET 113 Cb 0.20 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2qeb h MET 113 CO -0.00 0.65 -0.17 1.49 0.23 0.00 0.00 176.91 179.11 2qeb h GLU 114 N 0.71 -0.44 0.00 0.39 4.81 -1.03 -0.06 114.58 118.96 2qeb h GLU 114 Ca 0.16 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 2qeb h GLU 114 Cb 0.25 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2qeb h GLU 114 CO -0.00 -0.30 -0.40 -0.07 -0.73 0.00 0.00 179.01 177.51 2qeb h LEU 115 N -0.46 0.00 0.33 1.64 3.38 -1.38 -0.99 115.31 117.83 2qeb h LEU 115 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qeb h LEU 115 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qeb h LEU 115 CO 0.06 0.40 -0.16 0.11 0.09 0.00 0.00 178.44 178.94 2qeb h LYS 116 N 0.00 -0.43 -0.75 1.13 1.57 -0.95 0.14 116.57 117.28 2qeb h LYS 116 Ca -0.00 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.96 2qeb h LYS 116 Cb 0.81 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 2qeb h LYS 116 CO 0.05 -0.11 0.51 0.87 -0.57 0.00 0.00 179.45 180.19 2qeb h LYS 117 N -0.79 0.35 0.00 3.15 1.79 -0.87 0.35 116.57 120.55 2qeb h LYS 117 Ca -0.05 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2qeb h LYS 117 Cb 0.51 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2qeb h LYS 117 CO 0.07 0.23 -0.05 0.00 -1.08 0.00 0.00 179.45 178.63 2qeb h ALA 118 N 1.65 0.97 -0.01 3.86 0.00 -1.05 -3.47 119.26 121.21 2qeb h ALA 118 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2qeb h ALA 118 Cb 0.92 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qeb h ALA 118 CO -0.11 0.00 -0.00 0.41 0.00 0.00 0.00 179.25 179.55 2qeb n GLY 119 N 1.29 0.37 0.09 0.00 0.00 0.11 -4.94 105.19 102.13 2qeb n GLY 119 Ca 0.05 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.20 2qeb n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qeb n LYS 120 N -1.61 0.62 -4.11 1.61 4.76 0.34 -4.91 118.16 114.86 2qeb n LYS 120 Ca -0.00 0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.42 2qeb n LYS 120 Cb 0.35 -1.77 -0.11 0.00 -1.84 0.00 0.00 35.03 31.66 2qeb n LYS 120 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2qeb s VAL 121 N -3.26 0.56 0.81 -0.18 -7.23 -1.18 -5.02 120.40 104.90 2qeb s VAL 121 Ca -0.02 -1.53 -0.11 0.00 -1.81 0.00 0.00 61.98 58.51 2qeb s VAL 121 Cb 0.10 -1.16 0.08 0.00 0.56 0.00 0.00 36.38 35.96 2qeb s VAL 121 CO 0.81 -0.67 1.10 -2.16 -0.31 0.00 0.00 175.10 173.87 2qeb s PRO 122 N -2.82 1.91 0.53 4.82 0.04 -1.26 -4.44 135.00 133.79 2qeb s PRO 122 Ca 0.01 1.15 0.34 0.00 0.04 0.00 0.00 61.00 62.55 2qeb s PRO 122 Cb -0.01 -1.86 1.48 0.00 0.04 0.00 0.00 34.50 34.14 2qeb s PRO 122 CO -0.03 -1.88 2.01 1.96 0.04 0.00 0.00 177.00 179.10 2qeb h GLN 123 N -1.30 0.00 -0.37 4.56 1.08 -1.99 -0.10 115.11 116.98 2qeb h GLN 123 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2qeb h GLN 123 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2qeb h GLN 123 CO 0.51 0.00 0.00 -2.39 -0.95 0.00 0.00 178.83 176.00 2qeb n HIS 124 N -2.99 0.48 -1.60 2.96 1.44 -1.26 -4.98 115.22 109.27 2qeb n HIS 124 Ca 0.00 -0.24 -0.50 0.00 -2.01 0.00 0.00 57.72 54.97 2qeb n HIS 124 Cb 0.26 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.32 2qeb n HIS 124 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2qeb n GLN 125 N 1.25 1.27 -2.97 -1.40 -0.06 -0.05 -4.99 117.38 110.43 2qeb n GLN 125 Ca 0.19 0.46 -0.18 0.00 -2.00 0.00 0.00 57.00 55.46 2qeb n GLN 125 Cb 0.54 -2.06 0.02 0.00 -4.06 0.00 0.00 30.24 24.68 2qeb n GLN 125 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2qeb s ARG 126 N 0.22 2.69 -1.10 3.69 0.52 -1.26 -5.02 118.95 118.68 2qeb s ARG 126 Ca 0.80 -1.26 -0.19 0.00 -0.52 0.00 0.00 55.73 54.57 2qeb s ARG 126 Cb -0.89 -2.70 0.10 0.00 0.52 0.00 0.00 34.95 31.98 2qeb s ARG 126 CO 0.48 -0.44 1.42 -0.47 0.02 0.00 0.00 175.30 176.31 2qeb s TYR 127 N -2.46 2.97 0.44 -0.53 5.04 -1.26 -4.78 117.35 116.76 2qeb s TYR 127 Ca 0.57 -1.46 0.07 0.00 -2.44 0.00 0.00 57.07 53.81 2qeb s TYR 127 Cb -0.09 -4.51 -0.01 0.00 0.35 0.00 0.00 41.96 37.69 2qeb s TYR 127 CO 0.35 -1.66 0.38 0.95 -1.34 0.00 0.00 175.55 174.23 2qeb s THR 128 N 3.41 2.50 0.22 4.34 -4.23 -1.26 -4.98 115.64 115.64 2qeb s THR 128 Ca 0.43 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 59.50 2qeb s THR 128 Cb -0.01 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 71.13 2qeb s THR 128 CO -0.04 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.85 2qeb h ALA 129 N 1.00 1.01 -0.62 3.99 0.00 -2.00 -1.81 119.26 120.83 2qeb h ALA 129 Ca -0.41 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2qeb h ALA 129 Cb 1.27 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2qeb h ALA 129 CO 0.58 0.07 0.36 1.49 0.00 0.00 0.00 179.25 181.74 2qeb h GLU 130 N 0.72 0.67 -0.83 0.00 4.81 -1.96 -2.22 114.58 115.78 2qeb h GLU 130 Ca 0.34 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 2qeb h GLU 130 Cb 0.26 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 2qeb h GLU 130 CO -0.21 0.45 0.54 0.35 -0.73 0.00 0.00 179.01 179.40 2qeb h PHE 131 N 0.69 1.01 -0.68 0.92 3.57 -1.69 0.12 116.94 120.87 2qeb h PHE 131 Ca 0.26 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2qeb h PHE 131 Cb 0.09 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 2qeb h PHE 131 CO -0.07 0.59 0.25 -0.39 -2.23 0.00 0.00 178.31 176.47 2qeb h VAL 132 N 1.06 1.24 -0.52 1.41 -1.51 -0.80 0.10 116.25 117.24 2qeb h VAL 132 Ca 0.32 -0.77 -0.08 0.00 -1.23 0.00 0.00 66.70 64.93 2qeb h VAL 132 Cb -0.03 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 29.56 2qeb h VAL 132 CO -0.10 0.31 -0.01 -0.61 -1.23 0.00 0.00 177.57 175.93 2qeb h GLN 133 N 0.99 0.92 -0.58 5.19 5.75 -0.84 -0.77 115.11 125.77 2qeb h GLN 133 Ca 0.23 -0.30 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 2qeb h GLN 133 Cb 0.22 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.63 2qeb h GLN 133 CO -0.02 0.94 0.25 0.82 -2.65 0.00 0.00 178.83 178.18 2qeb h ILE 134 N 0.79 0.85 -0.08 2.39 2.04 -0.20 -1.21 117.51 122.09 2qeb h ILE 134 Ca 0.15 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 2qeb h ILE 134 Cb 0.54 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2qeb h ILE 134 CO 0.03 0.08 -0.33 -0.03 0.00 0.00 0.00 178.15 177.90 2qeb h MET 135 N 0.46 0.15 -0.15 2.37 4.05 -0.63 -1.53 114.93 119.65 2qeb h MET 135 Ca 0.28 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 2qeb h MET 135 Cb 0.28 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2qeb h MET 135 CO -0.25 0.48 0.08 0.87 0.23 0.00 0.00 176.91 178.32 2qeb h LYS 136 N 0.14 0.22 -0.10 0.39 1.57 -0.31 -1.10 116.57 117.37 2qeb h LYS 136 Ca 0.02 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2qeb h LYS 136 Cb 0.66 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2qeb h LYS 136 CO 0.05 0.25 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.53 2qeb h ASP 137 N 0.13 0.16 -0.14 0.86 3.32 -1.17 -1.41 116.42 118.18 2qeb h ASP 137 Ca 0.05 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2qeb h ASP 137 Cb 0.10 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2qeb h ASP 137 CO -0.01 0.39 -0.17 0.22 -1.72 0.00 0.00 179.24 177.94 2qeb h TYR 138 N 0.16 0.44 -0.42 4.55 3.20 -1.00 -2.74 116.97 121.16 2qeb h TYR 138 Ca 0.03 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 2qeb h TYR 138 Cb 0.46 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2qeb h TYR 138 CO 0.01 0.78 0.16 -0.44 -1.64 0.00 0.00 178.16 177.03 2qeb h ASP 139 N -0.03 0.58 -0.91 -2.11 3.32 -1.07 -3.02 116.42 113.19 2qeb h ASP 139 Ca 0.02 -0.18 0.13 0.00 0.02 0.00 0.00 57.03 57.02 2qeb h ASP 139 Cb 0.73 -0.15 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 2qeb h ASP 139 CO 0.04 0.60 0.53 0.50 -1.72 0.00 0.00 179.24 179.19 2qeb h LYS 140 N 0.53 0.79 0.00 3.56 3.64 -1.25 0.47 116.57 124.31 2qeb h LYS 140 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2qeb h LYS 140 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2qeb h LYS 140 CO -0.01 0.52 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 2qeb n ALA 141 N -2.37 1.34 0.72 5.00 0.00 -1.04 -1.33 120.51 122.82 2qeb n ALA 141 Ca 0.17 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.69 2qeb n ALA 141 Cb 0.38 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 18.75 2qeb n ALA 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qeb n LEU 142 N -1.56 2.26 -0.01 0.00 4.77 0.16 -4.96 117.00 117.66 2qeb n LEU 142 Ca 0.02 -0.95 -0.00 0.00 -0.03 0.00 0.00 56.01 55.05 2qeb n LEU 142 Cb 0.09 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2qeb n LEU 142 CO 0.07 0.40 -0.00 -3.20 -1.33 0.00 0.00 177.39 173.34 2qeb n ASN 143 N 0.73 -2.46 0.00 -1.43 5.15 -0.45 -5.03 115.26 111.77 2qeb n ASN 143 Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2qeb n ASN 143 Cb 0.41 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 2qeb n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66