#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghq s LEU 2 N 0.00 2.39 0.29 3.17 2.96 -1.26 -4.97 118.68 121.26 1ghq s LEU 2 Ca 0.00 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1ghq s LEU 2 Cb 0.00 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1ghq s LEU 2 CO 0.00 0.30 0.32 1.51 -1.32 0.00 0.00 176.35 177.16 1ghq s ASP 3 N -0.95 0.84 0.20 3.68 1.47 -1.26 -0.36 116.67 120.30 1ghq s ASP 3 Ca 0.12 -1.49 -0.10 0.00 1.18 0.00 0.00 52.55 52.26 1ghq s ASP 3 Cb -0.10 0.54 0.21 0.00 -0.34 0.00 0.00 42.92 43.24 1ghq s ASP 3 CO 0.01 -1.08 1.81 0.00 0.68 0.00 0.00 175.17 176.59 1ghq h ALA 4 N 2.27 0.86 -0.66 2.11 0.00 -1.88 -1.31 119.26 120.65 1ghq h ALA 4 Ca -0.29 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1ghq h ALA 4 Cb 1.24 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1ghq h ALA 4 CO 0.41 0.06 0.10 1.05 0.00 0.00 0.00 179.25 180.87 1ghq h GLU 5 N 0.69 1.09 -0.41 0.00 -0.00 -1.97 0.18 114.58 114.16 1ghq h GLU 5 Ca 0.28 -0.29 -0.03 0.00 -0.00 0.00 0.00 59.36 59.32 1ghq h GLU 5 Cb 0.14 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 28.75 1ghq h GLU 5 CO -0.16 1.00 0.13 0.00 -0.00 0.00 0.00 179.01 179.98 1ghq h ARG 6 N 1.02 0.64 -0.35 1.06 3.08 -1.92 -2.91 114.38 115.00 1ghq h ARG 6 Ca 0.20 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1ghq h ARG 6 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1ghq h ARG 6 CO 0.01 0.63 -0.42 1.25 -1.07 0.00 0.00 179.97 180.37 1ghq h LEU 7 N 0.52 0.95 -1.07 3.04 5.85 -0.96 -3.23 115.31 120.42 1ghq h LEU 7 Ca 0.13 -0.45 0.13 0.00 0.84 0.00 0.00 57.88 58.54 1ghq h LEU 7 Cb 0.25 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1ghq h LEU 7 CO -0.01 1.24 0.62 0.50 -0.34 0.00 0.00 178.44 180.45 1ghq h LYS 8 N 0.71 0.88 0.00 1.25 3.64 -0.50 -0.03 116.57 122.53 1ghq h LYS 8 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ghq h LYS 8 Cb 1.01 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1ghq h LYS 8 CO 0.10 0.58 0.09 0.45 -2.27 0.00 0.00 179.45 178.40 1ghq h HIS 9 N 0.91 0.00 -0.00 1.91 3.86 -1.53 -0.96 115.15 119.34 1ghq h HIS 9 Ca 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 1ghq h HIS 9 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1ghq h HIS 9 CO -0.00 0.00 -0.09 1.28 0.86 0.00 0.00 177.93 179.98 1ghq n LEU 10 N -2.57 0.33 -4.50 2.43 4.77 -0.03 -4.64 117.00 112.80 1ghq n LEU 10 Ca -0.02 0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 1ghq n LEU 10 Cb 0.14 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1ghq n LEU 10 CO 0.13 0.06 0.57 -0.63 -1.33 0.00 0.00 177.39 176.19 1ghq s ILE 11 N -2.52 4.60 0.23 -0.08 1.01 -0.37 -2.98 121.20 121.09 1ghq s ILE 11 Ca 0.28 0.01 0.06 0.00 0.00 0.00 0.00 60.65 61.00 1ghq s ILE 11 Cb 0.20 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1ghq s ILE 11 CO 0.48 -0.95 -0.08 0.68 0.00 0.00 0.00 174.94 175.07 1ghq s VAL 12 N 3.38 1.48 -0.18 2.92 -7.23 -1.26 -5.02 120.40 114.48 1ghq s VAL 12 Ca 0.25 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 1ghq s VAL 12 Cb -0.15 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1ghq s VAL 12 CO 0.17 -0.45 0.69 -0.89 -0.31 0.00 0.00 175.10 174.30 1ghq s THR 13 N -3.13 4.98 0.38 5.32 2.01 -1.26 -4.83 115.64 119.11 1ghq s THR 13 Ca 0.25 1.32 -0.24 0.00 0.31 0.00 0.00 61.69 63.33 1ghq s THR 13 Cb 0.03 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 1ghq s THR 13 CO 0.08 0.10 1.02 -2.16 -0.69 0.00 0.00 174.62 172.96 1ghq s PRO 14 N 1.92 4.27 0.36 4.92 0.04 -1.26 -4.95 135.00 140.30 1ghq s PRO 14 Ca 0.32 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.62 1ghq s PRO 14 Cb -0.16 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 31.85 1ghq s PRO 14 CO 0.11 -0.03 0.79 -1.54 0.04 0.00 0.00 177.00 176.37 1ghq s SER 15 N -1.62 -0.04 0.00 6.66 1.04 -1.26 -4.89 113.70 113.58 1ghq s SER 15 Ca 0.56 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1ghq s SER 15 Cb -0.20 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1ghq s SER 15 CO 0.25 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.48 1ghq n GLY 16 N -0.52 -2.76 0.69 7.32 0.00 -1.26 -2.18 105.19 106.47 1ghq n GLY 16 Ca -0.07 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 1ghq n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghq n ALA 17 N 0.33 -0.35 -0.08 4.61 0.00 -1.26 -4.32 120.51 119.43 1ghq n ALA 17 Ca 0.00 -0.31 0.26 0.00 0.00 0.00 0.00 53.44 53.39 1ghq n ALA 17 Cb 0.00 -0.02 0.72 0.00 0.00 0.00 0.00 19.45 20.15 1ghq n ALA 17 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ghq h GLY 18 N -0.44 0.00 0.06 0.00 0.00 -1.16 -0.23 103.07 101.30 1ghq h GLY 18 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.87 1ghq h GLY 18 CO 0.05 0.00 -2.17 1.18 0.00 0.00 0.00 176.54 175.60 1ghq n GLU 19 N -3.98 0.61 -0.29 4.80 1.02 -1.26 -4.33 120.64 117.21 1ghq n GLU 19 Ca 0.15 0.32 0.02 0.00 -0.02 0.00 0.00 57.16 57.63 1ghq n GLU 19 Cb 0.88 -1.58 0.16 0.00 -0.02 0.00 0.00 31.44 30.88 1ghq n GLU 19 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ghq h GLN 20 N -0.71 0.77 -0.34 3.49 4.20 -1.80 -1.61 115.11 119.11 1ghq h GLN 20 Ca -0.57 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.07 1ghq h GLN 20 Cb 1.64 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.22 1ghq h GLN 20 CO -0.26 0.51 0.13 -0.97 -0.67 0.00 0.00 178.83 177.56 1ghq h ASN 21 N 0.79 0.43 1.13 1.46 -1.24 -0.53 -1.29 115.58 116.33 1ghq h ASN 21 Ca 0.39 -0.04 -0.17 0.00 0.71 0.00 0.00 56.30 57.18 1ghq h ASN 21 Cb 0.34 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1ghq h ASN 21 CO -0.24 0.40 -0.82 0.24 -1.29 0.00 0.00 177.43 175.73 1ghq h MET 22 N 0.48 0.00 -0.53 6.67 2.86 -1.51 0.27 114.93 123.17 1ghq h MET 22 Ca 0.12 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1ghq h MET 22 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1ghq h MET 22 CO -0.01 0.82 0.06 0.82 1.06 0.00 0.00 176.91 179.65 1ghq h ILE 23 N 0.00 1.26 -0.23 -1.22 2.04 -0.84 -1.23 117.51 117.29 1ghq h ILE 23 Ca -0.01 -1.00 -0.14 0.00 1.00 0.00 0.00 64.86 64.72 1ghq h ILE 23 Cb 1.60 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1ghq h ILE 23 CO 0.11 0.36 -0.39 1.23 0.00 0.00 0.00 178.15 179.45 1ghq h GLY 24 N 0.77 0.73 1.72 5.37 0.00 -1.15 -3.25 103.07 107.26 1ghq h GLY 24 Ca 0.16 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.59 1ghq h GLY 24 CO 0.02 0.75 -0.16 1.98 0.00 0.00 0.00 176.54 179.13 1ghq h MET 25 N 0.37 0.34 -0.16 4.80 1.85 -0.78 -3.33 114.93 118.03 1ghq h MET 25 Ca 0.02 -0.09 0.05 0.00 -0.61 0.00 0.00 59.70 59.06 1ghq h MET 25 Cb 0.98 -0.04 -0.07 0.00 0.43 0.00 0.00 31.60 32.91 1ghq h MET 25 CO 0.09 0.49 -0.37 1.15 -0.40 0.00 0.00 176.91 177.87 1ghq h THR 26 N 0.31 0.21 -0.88 -0.77 2.02 -1.26 -1.43 112.91 111.11 1ghq h THR 26 Ca 0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 1ghq h THR 26 Cb 0.47 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 1ghq h THR 26 CO 0.03 0.00 0.58 1.55 0.37 0.00 0.00 175.52 178.05 1ghq h PRO 27 N -0.43 1.12 -0.33 6.66 0.13 -1.74 -0.66 132.00 136.75 1ghq h PRO 27 Ca 0.09 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 1ghq h PRO 27 Cb 0.59 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1ghq h PRO 27 CO -0.40 0.74 -0.16 1.15 -0.23 0.00 0.00 178.00 179.11 1ghq h THR 28 N 1.15 1.29 -0.16 1.56 2.02 -1.40 0.84 112.91 118.22 1ghq h THR 28 Ca 0.33 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1ghq h THR 28 Cb -0.07 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1ghq h THR 28 CO -0.08 0.41 0.07 0.58 0.37 0.00 0.00 175.52 176.87 1ghq h VAL 29 N 0.45 1.14 -0.10 3.16 2.07 -0.93 -1.61 116.25 120.43 1ghq h VAL 29 Ca 0.07 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1ghq h VAL 29 Cb 0.69 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1ghq h VAL 29 CO 0.05 0.13 -0.50 0.16 0.02 0.00 0.00 177.57 177.43 1ghq h ILE 30 N 0.12 1.34 -0.29 4.57 -0.00 -1.04 0.52 117.51 122.73 1ghq h ILE 30 Ca 0.05 -1.74 0.00 0.00 -0.00 0.00 0.00 64.86 63.18 1ghq h ILE 30 Cb 0.14 1.82 -0.01 0.00 -0.00 0.00 0.00 36.82 38.77 1ghq h ILE 30 CO -0.01 0.52 0.19 0.00 -0.00 0.00 0.00 178.15 178.86 1ghq h ALA 31 N 1.28 0.37 -0.32 0.16 0.00 -0.66 0.36 119.26 120.45 1ghq h ALA 31 Ca 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ghq h ALA 31 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ghq h ALA 31 CO 0.08 -0.16 -0.06 0.28 0.00 0.00 0.00 179.25 179.40 1ghq h VAL 32 N 0.40 1.27 -0.93 0.00 2.07 -1.07 -0.52 116.25 117.48 1ghq h VAL 32 Ca 0.11 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.62 1ghq h VAL 32 Cb -0.04 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1ghq h VAL 32 CO -0.02 0.35 0.58 -0.74 0.02 0.00 0.00 177.57 177.76 1ghq h HIS 33 N 0.38 1.07 -0.24 1.57 -0.00 -0.63 -0.14 115.15 117.15 1ghq h HIS 33 Ca 0.08 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1ghq h HIS 33 Cb 0.54 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1ghq h HIS 33 CO 0.05 0.51 -0.00 -0.92 -0.00 0.00 0.00 177.93 177.57 1ghq h TYR 34 N 1.02 0.47 -0.38 5.26 3.20 0.10 -1.00 116.97 125.64 1ghq h TYR 34 Ca 0.42 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 62.16 1ghq h TYR 34 Cb 0.25 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1ghq h TYR 34 CO -0.02 0.60 0.06 -0.07 -1.64 0.00 0.00 178.16 177.09 1ghq h LEU 35 N 0.21 0.61 0.02 2.82 3.38 -0.64 -0.62 115.31 121.08 1ghq h LEU 35 Ca 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ghq h LEU 35 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ghq h LEU 35 CO 0.01 0.71 -0.01 0.44 0.09 0.00 0.00 178.44 179.69 1ghq h ASP 36 N 0.47 -0.02 -0.32 -0.43 3.32 -1.05 0.14 116.42 118.53 1ghq h ASP 36 Ca 0.11 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1ghq h ASP 36 Cb 0.37 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1ghq h ASP 36 CO 0.01 0.02 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.44 1ghq h GLU 37 N -0.06 0.68 -0.01 3.56 4.57 -1.11 -2.55 114.58 119.67 1ghq h GLU 37 Ca -0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1ghq h GLU 37 Cb 0.05 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1ghq h GLU 37 CO 0.00 0.71 -0.32 0.25 -1.18 0.00 0.00 179.01 178.47 1ghq n THR 38 N -4.23 0.00 -3.52 0.32 -2.24 -0.25 -4.57 114.28 99.80 1ghq n THR 38 Ca 0.02 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 1ghq n THR 38 Cb 0.29 0.62 0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1ghq n THR 38 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ghq n GLU 39 N -0.51 -4.75 -0.24 -0.78 1.02 0.42 -4.93 120.64 110.87 1ghq n GLU 39 Ca 0.11 0.73 0.08 0.00 -0.02 0.00 0.00 57.16 58.06 1ghq n GLU 39 Cb 0.38 -5.46 0.18 0.00 -0.02 0.00 0.00 31.44 26.52 1ghq n GLU 39 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ghq n GLN 40 N -4.03 2.41 0.03 3.49 6.02 -0.79 -4.70 117.38 119.81 1ghq n GLN 40 Ca -0.24 -2.49 0.07 0.00 -0.01 0.00 0.00 57.00 54.32 1ghq n GLN 40 Cb 0.66 -1.56 0.49 0.00 1.02 0.00 0.00 30.24 30.85 1ghq n GLN 40 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1ghq h TRP 41 N 1.06 0.39 -1.01 1.08 4.06 -1.92 -1.27 115.95 118.34 1ghq h TRP 41 Ca 0.00 0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.00 1ghq h TRP 41 Cb 1.09 -0.13 -0.06 0.00 -1.00 0.00 0.00 29.16 29.06 1ghq h TRP 41 CO 0.25 0.23 0.66 1.49 -3.56 0.00 0.00 178.44 177.50 1ghq h GLU 42 N 0.41 1.22 0.00 0.49 4.57 -1.93 1.09 114.58 120.43 1ghq h GLU 42 Ca 0.15 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 1ghq h GLU 42 Cb 0.10 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1ghq h GLU 42 CO -0.03 0.81 -0.35 0.87 -1.18 0.00 0.00 179.01 179.13 1ghq h LYS 43 N 1.26 0.00 0.04 1.92 1.57 -1.61 -3.34 116.57 116.41 1ghq h LYS 43 Ca 0.41 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.84 1ghq h LYS 43 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1ghq h LYS 43 CO -0.13 0.35 -2.06 0.34 -0.57 0.00 0.00 179.45 177.37 1ghq n PHE 44 N -3.28 0.74 0.00 -1.35 7.35 -0.30 -4.84 117.46 115.78 1ghq n PHE 44 Ca 0.01 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 1ghq n PHE 44 Cb 0.60 -1.11 0.00 0.00 0.35 0.00 0.00 39.48 39.32 1ghq n PHE 44 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ghq n GLY 45 N 1.87 1.80 0.35 7.13 0.00 0.36 -4.96 105.19 111.75 1ghq n GLY 45 Ca -0.30 -0.67 0.18 0.00 0.00 0.00 0.00 46.02 45.23 1ghq n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ghq h LEU 46 N 0.00 0.00 -0.68 0.99 5.85 -1.79 -1.11 115.31 118.58 1ghq h LEU 46 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ghq h LEU 46 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ghq h LEU 46 CO 0.00 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.26 1ghq n GLU 47 N -4.02 0.14 0.09 1.25 -0.00 -1.26 -1.57 120.64 115.28 1ghq n GLU 47 Ca 0.05 0.44 0.13 0.00 -0.00 0.00 0.00 57.16 57.78 1ghq n GLU 47 Cb 0.45 -1.80 0.39 0.00 -0.00 0.00 0.00 31.44 30.48 1ghq n GLU 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ghq n LYS 48 N -2.07 0.25 -0.17 3.44 5.02 -0.42 -4.09 118.16 120.11 1ghq n LYS 48 Ca 0.02 0.19 -0.06 0.00 -2.02 0.00 0.00 58.31 56.44 1ghq n LYS 48 Cb 0.17 -1.77 0.04 0.00 -0.02 0.00 0.00 35.03 33.44 1ghq n LYS 48 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1ghq h ARG 49 N 0.00 0.58 -0.24 1.97 2.43 -1.44 -2.00 114.38 115.69 1ghq h ARG 49 Ca 0.00 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ghq h ARG 49 Cb 0.72 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1ghq h ARG 49 CO 0.00 0.38 0.00 1.96 -1.51 0.00 0.00 179.97 180.81 1ghq h GLN 50 N 0.60 0.07 -0.88 0.20 1.08 -1.78 0.15 115.11 114.56 1ghq h GLN 50 Ca 0.21 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1ghq h GLN 50 Cb 0.03 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1ghq h GLN 50 CO -0.10 0.05 0.56 0.78 -0.95 0.00 0.00 178.83 179.17 1ghq h GLY 51 N 0.08 1.29 1.31 3.46 0.00 -1.74 -1.10 103.07 106.35 1ghq h GLY 51 Ca 0.11 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1ghq h GLY 51 CO -0.19 0.35 -0.18 0.00 0.00 0.00 0.00 176.54 176.52 1ghq h ALA 52 N 1.37 0.90 -0.76 3.60 0.00 -0.51 -2.34 119.26 121.51 1ghq h ALA 52 Ca 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ghq h ALA 52 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1ghq h ALA 52 CO -0.13 0.63 0.37 -0.07 0.00 0.00 0.00 179.25 180.05 1ghq h LEU 53 N 0.71 0.98 -0.94 0.00 3.38 0.25 -0.99 115.31 118.71 1ghq h LEU 53 Ca 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ghq h LEU 53 Cb 0.69 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1ghq h LEU 53 CO 0.05 0.83 0.23 -0.33 0.09 0.00 0.00 178.44 179.31 1ghq h GLU 54 N 1.08 1.00 -0.21 1.13 5.08 -0.92 -0.61 114.58 121.14 1ghq h GLU 54 Ca 0.26 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1ghq h GLU 54 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ghq h GLU 54 CO -0.03 0.85 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.24 1ghq h LEU 55 N 0.97 0.64 -0.29 1.33 3.38 -0.89 -0.75 115.31 119.71 1ghq h LEU 55 Ca 0.22 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ghq h LEU 55 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ghq h LEU 55 CO -0.01 1.04 0.11 0.40 0.09 0.00 0.00 178.44 180.07 1ghq h ILE 56 N 0.45 1.18 -0.82 1.22 1.08 -0.80 0.73 117.51 120.56 1ghq h ILE 56 Ca 0.02 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1ghq h ILE 56 Cb 1.05 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 1ghq h ILE 56 CO 0.10 0.19 0.44 0.50 -0.69 0.00 0.00 178.15 178.69 1ghq h LYS 57 N 0.31 1.15 -0.59 2.37 3.64 -0.99 -0.23 116.57 122.23 1ghq h LYS 57 Ca 0.10 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1ghq h LYS 57 Cb 0.20 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1ghq h LYS 57 CO -0.01 0.86 0.32 -0.22 -2.27 0.00 0.00 179.45 178.13 1ghq h LYS 58 N 1.14 0.81 -0.41 1.90 3.64 -0.77 0.87 116.57 123.75 1ghq h LYS 58 Ca 0.29 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1ghq h LYS 58 Cb 0.05 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1ghq h LYS 58 CO -0.04 0.62 0.25 0.78 -2.27 0.00 0.00 179.45 178.79 1ghq h GLY 59 N 0.79 0.58 0.93 5.01 0.00 -0.13 -0.04 103.07 110.22 1ghq h GLY 59 Ca 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ghq h GLY 59 CO -0.03 0.23 -0.04 -1.82 0.00 0.00 0.00 176.54 174.88 1ghq h TYR 60 N 0.54 -0.09 -0.49 5.60 3.20 -0.82 -1.08 116.97 123.83 1ghq h TYR 60 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1ghq h TYR 60 Cb -0.02 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1ghq h TYR 60 CO -0.04 0.01 0.32 1.15 -1.64 0.00 0.00 178.16 177.96 1ghq h THR 61 N -0.17 1.13 -0.82 1.81 2.02 -0.66 -2.21 112.91 114.01 1ghq h THR 61 Ca -0.01 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1ghq h THR 61 Cb 0.14 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1ghq h THR 61 CO 0.02 0.13 0.47 1.56 0.37 0.00 0.00 175.52 178.07 1ghq h GLN 62 N 0.66 1.13 -0.04 6.66 4.20 -0.87 -2.37 115.11 124.48 1ghq h GLN 62 Ca 0.18 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1ghq h GLN 62 Cb -0.07 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 1ghq h GLN 62 CO -0.04 0.81 -0.11 0.37 -0.67 0.00 0.00 178.83 179.19 1ghq h GLN 63 N 1.14 0.05 0.00 1.46 5.75 -0.58 -1.80 115.11 121.13 1ghq h GLN 63 Ca 0.29 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 1ghq h GLN 63 Cb -0.01 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 1ghq h GLN 63 CO -0.05 0.17 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.19 1ghq h LEU 64 N 0.05 0.00 -1.12 -2.39 3.38 -1.10 0.65 115.31 114.78 1ghq h LEU 64 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ghq h LEU 64 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ghq h LEU 64 CO 0.02 0.04 0.04 0.00 0.09 0.00 0.00 178.44 178.63 1ghq n ALA 65 N -2.51 0.97 -0.14 1.53 0.00 -0.67 -1.32 120.51 118.37 1ghq n ALA 65 Ca -0.03 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.61 1ghq n ALA 65 Cb 0.12 -1.19 0.10 0.00 0.00 0.00 0.00 19.45 18.49 1ghq n ALA 65 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ghq n PHE 66 N -2.10 0.31 -2.44 0.00 3.72 0.21 -4.88 117.46 112.30 1ghq n PHE 66 Ca -0.01 -0.51 -0.42 0.00 -0.05 0.00 0.00 57.45 56.46 1ghq n PHE 66 Cb 0.07 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1ghq n PHE 66 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1ghq s ARG 67 N -1.04 4.38 0.66 -1.08 3.52 -0.44 -3.82 118.95 121.13 1ghq s ARG 67 Ca 0.16 1.72 -0.02 0.00 -0.13 0.00 0.00 55.73 57.46 1ghq s ARG 67 Cb 0.08 -3.48 0.07 0.00 -1.56 0.00 0.00 34.95 30.07 1ghq s ARG 67 CO 0.10 -0.37 0.92 -0.65 -0.81 0.00 0.00 175.30 174.49 1ghq s GLN 68 N 1.77 2.12 0.51 5.12 -0.21 0.90 -4.92 119.66 124.94 1ghq s GLN 68 Ca 0.57 -0.73 0.19 0.00 0.02 0.00 0.00 55.36 55.41 1ghq s GLN 68 Cb -0.27 -2.33 1.26 0.00 1.00 0.00 0.00 33.01 32.67 1ghq s GLN 68 CO 0.25 -1.13 2.06 -1.35 -2.12 0.00 0.00 175.29 172.99 1ghq h PRO 69 N -0.35 0.09 0.00 2.91 0.11 -1.96 0.68 132.00 133.48 1ghq h PRO 69 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ghq h PRO 69 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ghq h PRO 69 CO 0.50 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 1ghq n SER 70 N -4.46 0.16 0.00 -2.05 3.41 -1.26 -4.86 113.62 104.56 1ghq n SER 70 Ca 0.04 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1ghq n SER 70 Cb 0.34 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1ghq n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ghq n SER 71 N -1.67 -1.32 -4.85 4.04 7.64 0.23 -4.72 113.62 112.97 1ghq n SER 71 Ca 0.04 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.68 1ghq n SER 71 Cb 0.21 -0.22 0.07 0.00 -1.01 0.00 0.00 64.21 63.26 1ghq n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ghq s ALA 72 N -2.97 3.46 0.14 -0.43 0.00 -1.26 -3.94 121.76 116.76 1ghq s ALA 72 Ca 0.00 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1ghq s ALA 72 Cb 0.00 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1ghq s ALA 72 CO 0.00 -1.21 -0.17 -0.06 0.00 0.00 0.00 175.76 174.33 1ghq s PHE 73 N -3.10 1.63 0.16 0.00 0.40 -1.26 -0.07 117.98 115.75 1ghq s PHE 73 Ca 0.61 -0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 56.31 1ghq s PHE 73 Cb -0.09 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.61 1ghq s PHE 73 CO 0.43 0.24 0.39 0.00 0.70 0.00 0.00 175.22 176.97 1ghq s ALA 74 N -2.02 -0.52 0.30 5.36 0.00 -1.25 -1.02 121.76 122.61 1ghq s ALA 74 Ca 0.12 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1ghq s ALA 74 Cb -0.06 0.80 0.66 0.00 0.00 0.00 0.00 23.12 24.53 1ghq s ALA 74 CO 0.05 -0.70 1.82 0.00 0.00 0.00 0.00 175.76 176.93 1ghq h ALA 75 N 2.40 1.63 -3.39 0.00 0.00 -1.90 -3.39 119.26 114.61 1ghq h ALA 75 Ca -0.31 0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 1ghq h ALA 75 Cb 1.24 -0.15 -0.23 0.00 0.00 0.00 0.00 17.79 18.65 1ghq h ALA 75 CO 0.44 0.08 -0.75 -0.06 0.00 0.00 0.00 179.25 178.97 1ghq s PHE 76 N -5.87 0.70 0.46 0.00 0.08 -1.26 -0.81 117.98 111.27 1ghq s PHE 76 Ca -0.11 -0.39 0.40 0.00 0.12 0.00 0.00 56.93 56.94 1ghq s PHE 76 Cb 0.23 -0.42 2.01 0.00 -0.57 0.00 0.00 43.02 44.27 1ghq s PHE 76 CO 0.80 -0.05 2.22 -0.39 -0.10 0.00 0.00 175.22 177.71 1ghq h VAL 77 N 4.60 0.04 0.00 -0.44 -1.51 -1.89 -0.09 116.25 116.97 1ghq h VAL 77 Ca -0.34 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1ghq h VAL 77 Cb 1.20 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1ghq h VAL 77 CO 0.43 0.01 -0.18 0.29 -1.23 0.00 0.00 177.57 176.88 1ghq n LYS 78 N -3.13 0.21 -3.33 5.19 5.02 -1.26 -4.88 118.16 115.99 1ghq n LYS 78 Ca -0.02 0.13 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 1ghq n LYS 78 Cb 0.16 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 1ghq n LYS 78 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ghq s ARG 79 N -3.09 4.07 0.32 1.97 3.52 -0.05 -5.05 118.95 120.64 1ghq s ARG 79 Ca 0.10 0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 56.00 1ghq s ARG 79 Cb 0.14 -3.07 -0.12 0.00 -1.56 0.00 0.00 34.95 30.34 1ghq s ARG 79 CO 0.62 0.56 1.42 0.00 -0.81 0.00 0.00 175.30 177.09 1ghq n ALA 80 N 1.24 1.72 -1.78 6.12 0.00 -1.26 -4.79 120.51 121.75 1ghq n ALA 80 Ca -0.08 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 1ghq n ALA 80 Cb 0.51 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 1ghq n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ghq s PRO 81 N -1.31 4.15 -0.14 0.00 0.04 -1.26 -4.80 135.00 131.67 1ghq s PRO 81 Ca 0.60 2.52 -0.16 0.00 0.04 0.00 0.00 61.00 64.00 1ghq s PRO 81 Cb -0.55 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1ghq s PRO 81 CO 0.57 -0.54 0.37 0.45 0.04 0.00 0.00 177.00 177.89 1ghq s SER 82 N 0.18 6.54 0.09 6.66 0.15 -0.19 -4.19 113.70 122.95 1ghq s SER 82 Ca 0.58 0.64 -0.19 0.00 0.70 0.00 0.00 55.95 57.68 1ghq s SER 82 Cb -0.46 -2.23 -0.07 0.00 -1.71 0.00 0.00 66.02 61.55 1ghq s SER 82 CO 0.53 0.06 1.60 0.74 1.20 0.00 0.00 173.24 177.37 1ghq h THR 83 N 4.70 1.20 -0.06 6.45 2.02 -1.84 -1.29 112.91 124.09 1ghq h THR 83 Ca -0.41 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1ghq h THR 83 Cb 1.17 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1ghq h THR 83 CO 0.76 0.21 0.03 -0.25 0.37 0.00 0.00 175.52 176.64 1ghq h TRP 84 N 0.22 0.09 -0.61 3.16 7.01 -1.91 -0.44 115.95 123.47 1ghq h TRP 84 Ca 0.08 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1ghq h TRP 84 Cb 0.25 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 1ghq h TRP 84 CO 0.01 0.14 0.35 1.25 -2.79 0.00 0.00 178.44 177.39 1ghq h LEU 85 N 0.01 0.76 -0.48 0.65 5.85 -1.87 0.16 115.31 120.39 1ghq h LEU 85 Ca 0.02 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1ghq h LEU 85 Cb 0.08 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1ghq h LEU 85 CO -0.00 0.62 0.29 0.74 -0.34 0.00 0.00 178.44 179.75 1ghq h THR 86 N 0.83 1.15 -0.07 1.05 2.02 -1.12 0.28 112.91 117.05 1ghq h THR 86 Ca 0.22 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 1ghq h THR 86 Cb 0.02 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1ghq h THR 86 CO -0.04 0.15 -0.28 0.00 0.37 0.00 0.00 175.52 175.73 1ghq h ALA 87 N 1.14 1.41 -0.11 6.16 0.00 -0.52 -2.30 119.26 125.04 1ghq h ALA 87 Ca 0.17 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1ghq h ALA 87 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ghq h ALA 87 CO -0.03 0.42 -0.65 -0.92 0.00 0.00 0.00 179.25 178.07 1ghq h TYR 88 N 0.11 0.58 -0.75 0.00 3.20 0.54 -1.05 116.97 119.60 1ghq h TYR 88 Ca 0.02 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 1ghq h TYR 88 Cb 0.56 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1ghq h TYR 88 CO 0.00 0.97 0.44 0.28 -1.64 0.00 0.00 178.16 178.21 1ghq h VAL 89 N 0.32 1.22 -0.82 1.81 2.07 -0.07 0.20 116.25 120.98 1ghq h VAL 89 Ca -0.02 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1ghq h VAL 89 Cb 1.21 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1ghq h VAL 89 CO 0.11 0.24 0.41 0.58 0.02 0.00 0.00 177.57 178.93 1ghq h VAL 90 N 1.04 1.25 -0.51 2.57 2.07 -1.19 0.89 116.25 122.36 1ghq h VAL 90 Ca 0.27 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1ghq h VAL 90 Cb -0.00 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1ghq h VAL 90 CO -0.05 0.30 0.02 0.50 0.02 0.00 0.00 177.57 178.36 1ghq h LYS 91 N 1.16 0.85 0.03 1.57 3.64 -0.33 -1.69 116.57 121.79 1ghq h LYS 91 Ca 0.28 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1ghq h LYS 91 Cb 0.10 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ghq h LYS 91 CO -0.04 0.84 -0.17 0.28 -2.27 0.00 0.00 179.45 178.09 1ghq h VAL 92 N 0.80 1.73 -0.83 2.00 2.07 -0.68 -3.34 116.25 118.01 1ghq h VAL 92 Ca 0.16 -2.37 0.02 0.00 0.82 0.00 0.00 66.70 65.33 1ghq h VAL 92 Cb 0.45 3.33 -0.04 0.00 -1.52 0.00 0.00 31.29 33.50 1ghq h VAL 92 CO 0.02 0.63 0.55 -0.26 0.02 0.00 0.00 177.57 178.52 1ghq h PHE 93 N -0.85 1.02 -0.43 1.57 -1.00 -0.86 -2.07 116.94 114.31 1ghq h PHE 93 Ca -0.03 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1ghq h PHE 93 Cb 1.13 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 1ghq h PHE 93 CO 0.26 0.62 0.29 0.77 -1.61 0.00 0.00 178.31 178.64 1ghq h SER 94 N 1.08 0.38 1.47 2.17 0.02 -1.44 -0.49 113.55 116.74 1ghq h SER 94 Ca 0.31 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1ghq h SER 94 Cb -0.06 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1ghq h SER 94 CO -0.08 0.26 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.71 1ghq h LEU 95 N 0.44 0.00 -0.71 5.07 4.07 -1.49 -3.24 115.31 119.44 1ghq h LEU 95 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1ghq h LEU 95 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1ghq h LEU 95 CO -0.04 0.09 -0.35 0.00 -1.08 0.00 0.00 178.44 177.05 1ghq n ALA 96 N -2.13 3.29 -0.34 1.53 0.00 -0.22 -4.59 120.51 118.05 1ghq n ALA 96 Ca 0.02 -0.51 0.20 0.00 0.00 0.00 0.00 53.44 53.15 1ghq n ALA 96 Cb 0.47 -0.99 0.43 0.00 0.00 0.00 0.00 19.45 19.36 1ghq n ALA 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ghq h VAL 97 N 1.74 0.51 -0.61 0.00 2.07 -1.51 0.30 116.25 118.75 1ghq h VAL 97 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1ghq h VAL 97 Cb 0.61 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1ghq h VAL 97 CO 0.00 0.09 0.00 0.59 0.02 0.00 0.00 177.57 178.27 1ghq n ASN 98 N -4.82 4.52 -0.12 0.57 3.02 -1.26 -4.38 115.26 112.79 1ghq n ASN 98 Ca 0.27 -2.42 -0.20 0.00 -0.03 0.00 0.00 54.58 52.20 1ghq n ASN 98 Cb 0.81 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 1ghq n ASN 98 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ghq n LEU 99 N 1.01 2.55 -4.23 3.41 4.77 0.98 -5.06 117.00 120.44 1ghq n LEU 99 Ca 0.24 0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 56.08 1ghq n LEU 99 Cb 0.84 -0.80 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1ghq n LEU 99 CO 0.22 0.77 -0.08 0.27 -1.33 0.00 0.00 177.39 177.23 1ghq s ILE 100 N -2.47 0.00 -0.52 -0.08 -4.36 -0.73 -5.01 121.20 108.03 1ghq s ILE 100 Ca -0.33 -1.92 -0.27 0.00 -0.26 0.00 0.00 60.65 57.87 1ghq s ILE 100 Cb 0.10 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 41.32 1ghq s ILE 100 CO 0.51 0.00 1.09 0.00 0.24 0.00 0.00 174.94 176.78 1ghq s ALA 101 N -3.52 3.11 -0.22 2.27 0.00 -1.26 -4.56 121.76 117.58 1ghq s ALA 101 Ca 0.38 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 1ghq s ALA 101 Cb 0.03 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 1ghq s ALA 101 CO 0.23 -2.39 0.05 0.42 0.00 0.00 0.00 175.76 174.08 1ghq s ILE 102 N 4.43 4.37 -0.19 0.00 1.01 -1.26 -5.05 121.20 124.51 1ghq s ILE 102 Ca 0.42 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 1ghq s ILE 102 Cb -0.09 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1ghq s ILE 102 CO 0.27 0.39 1.56 -0.62 0.00 0.00 0.00 174.94 176.54 1ghq s ASP 103 N 1.12 6.52 0.55 3.58 -1.08 -1.26 -4.90 116.67 121.20 1ghq s ASP 103 Ca 0.04 1.72 0.23 0.00 -0.52 0.00 0.00 52.55 54.02 1ghq s ASP 103 Cb -0.14 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.28 1ghq s ASP 103 CO 0.03 -1.13 2.16 0.28 0.52 0.00 0.00 175.17 177.03 1ghq h SER 104 N 10.12 0.00 -0.47 -0.34 0.02 -1.98 0.11 113.55 121.01 1ghq h SER 104 Ca -0.33 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 1ghq h SER 104 Cb 1.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1ghq h SER 104 CO 0.99 0.00 0.21 1.56 -1.14 0.00 0.00 176.83 178.45 1ghq h GLN 105 N 0.00 0.74 0.28 3.45 1.08 -1.96 0.61 115.11 119.30 1ghq h GLN 105 Ca 0.04 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1ghq h GLN 105 Cb 0.17 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1ghq h GLN 105 CO -0.00 0.60 -0.13 0.28 -0.95 0.00 0.00 178.83 178.63 1ghq h VAL 106 N 0.73 0.00 0.13 -0.54 2.07 -1.40 -0.47 116.25 116.77 1ghq h VAL 106 Ca 0.18 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1ghq h VAL 106 Cb 0.14 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1ghq h VAL 106 CO -0.02 0.00 -0.31 0.25 0.02 0.00 0.00 177.57 177.51 1ghq h LEU 107 N -1.07 -0.89 -1.00 2.57 5.85 -1.23 -2.06 115.31 117.47 1ghq h LEU 107 Ca -0.04 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1ghq h LEU 107 Cb 0.29 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1ghq h LEU 107 CO 0.06 -0.40 -0.32 0.00 -0.34 0.00 0.00 178.44 177.44 1ghq h GLY 109 N 2.06 0.75 1.04 0.00 0.00 -0.76 0.67 103.07 106.84 1ghq h GLY 109 Ca -0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.56 1ghq h GLY 109 CO 0.04 0.57 -0.37 0.00 0.00 0.00 0.00 176.54 176.78 1ghq h ALA 110 N 1.15 0.46 -0.25 3.60 0.00 -1.09 -1.90 119.26 121.23 1ghq h ALA 110 Ca 0.09 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1ghq h ALA 110 Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ghq h ALA 110 CO 0.05 0.54 0.13 0.28 0.00 0.00 0.00 179.25 180.25 1ghq h VAL 111 N 0.56 1.00 -0.72 0.00 2.07 -1.24 -1.86 116.25 116.06 1ghq h VAL 111 Ca 0.04 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1ghq h VAL 111 Cb 0.96 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1ghq h VAL 111 CO 0.09 0.05 0.45 0.50 0.02 0.00 0.00 177.57 178.68 1ghq h LYS 112 N 0.27 0.86 -0.53 1.57 3.64 -0.67 -2.47 116.57 119.24 1ghq h LYS 112 Ca 0.10 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1ghq h LYS 112 Cb 0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1ghq h LYS 112 CO -0.06 0.57 0.25 2.35 -2.27 0.00 0.00 179.45 180.29 1ghq h TRP 113 N 0.89 0.77 -0.38 1.91 7.01 -1.10 0.61 115.95 125.66 1ghq h TRP 113 Ca 0.29 -0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.32 1ghq h TRP 113 Cb 0.01 -0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 26.77 1ghq h TRP 113 CO -0.04 0.60 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.11 1ghq h LEU 114 N 0.71 -0.22 0.25 0.65 3.38 -0.91 0.14 115.31 119.32 1ghq h LEU 114 Ca 0.18 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1ghq h LEU 114 Cb 0.13 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ghq h LEU 114 CO -0.02 -0.07 -0.12 0.40 0.09 0.00 0.00 178.44 178.72 1ghq h ILE 115 N 0.07 0.77 0.00 1.22 1.08 -1.24 -0.50 117.51 118.91 1ghq h ILE 115 Ca 0.18 -0.78 -0.07 0.00 -0.39 0.00 0.00 64.86 63.80 1ghq h ILE 115 Cb 0.27 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1ghq h ILE 115 CO -0.34 0.15 -0.34 -0.07 -0.69 0.00 0.00 178.15 176.86 1ghq h LEU 116 N -0.77 0.00 0.00 1.44 3.38 -0.78 -3.29 115.31 115.29 1ghq h LEU 116 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1ghq h LEU 116 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1ghq h LEU 116 CO 0.06 0.34 -1.48 -0.62 0.09 0.00 0.00 178.44 176.82 1ghq n GLU 117 N -3.54 2.72 -0.11 1.13 -0.58 0.49 -4.83 120.64 115.92 1ghq n GLU 117 Ca -0.00 -0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1ghq n GLU 117 Cb 0.48 -1.18 0.09 0.00 -0.57 0.00 0.00 31.44 30.27 1ghq n GLU 117 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ghq n LYS 118 N -2.29 2.87 -4.34 3.49 4.76 -0.22 -4.96 118.16 117.47 1ghq n LYS 118 Ca -0.12 -1.82 -0.34 0.00 -2.87 0.00 0.00 58.31 53.16 1ghq n LYS 118 Cb 0.73 -1.16 -0.12 0.00 -1.84 0.00 0.00 35.03 32.64 1ghq n LYS 118 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1ghq s GLN 119 N -0.99 3.67 0.77 1.97 0.74 -1.10 -1.35 119.66 123.37 1ghq s GLN 119 Ca 0.14 -0.48 -0.12 0.00 0.05 0.00 0.00 55.36 54.95 1ghq s GLN 119 Cb 0.07 -2.95 0.05 0.00 1.10 0.00 0.00 33.01 31.29 1ghq s GLN 119 CO 0.10 0.28 1.11 0.15 -0.55 0.00 0.00 175.29 176.38 1ghq s LYS 120 N 0.26 2.31 0.44 1.67 1.02 0.43 -4.90 119.74 120.97 1ghq s LYS 120 Ca -0.02 0.51 0.13 0.00 0.02 0.00 0.00 55.97 56.61 1ghq s LYS 120 Cb -0.14 -1.95 1.03 0.00 -0.52 0.00 0.00 37.83 36.25 1ghq s LYS 120 CO 0.02 -1.43 2.01 -1.35 -0.92 0.00 0.00 175.35 173.68 1ghq h PRO 121 N -0.95 0.38 0.00 -1.68 0.11 -1.99 0.11 132.00 127.98 1ghq h PRO 121 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ghq h PRO 121 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ghq h PRO 121 CO 0.62 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 1ghq n ASP 122 N -4.47 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.64 1ghq n ASP 122 Ca 0.08 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 1ghq n ASP 122 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1ghq n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ghq n GLY 123 N 0.61 2.10 3.75 6.12 0.00 0.37 -4.57 105.19 113.57 1ghq n GLY 123 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1ghq n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ghq s VAL 124 N -2.50 3.00 -0.04 1.61 1.01 -1.26 -4.02 120.40 118.19 1ghq s VAL 124 Ca 0.00 0.90 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 1ghq s VAL 124 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1ghq s VAL 124 CO 0.00 0.17 0.37 -0.36 0.00 0.00 0.00 175.10 175.28 1ghq s PHE 125 N -0.46 3.67 0.02 5.22 0.08 -1.26 -0.43 117.98 124.82 1ghq s PHE 125 Ca 0.53 0.89 0.09 0.00 0.12 0.00 0.00 56.93 58.55 1ghq s PHE 125 Cb -0.38 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 39.77 1ghq s PHE 125 CO 0.44 0.58 -0.25 -1.14 -0.10 0.00 0.00 175.22 174.75 1ghq s GLN 126 N -0.78 1.92 -0.27 0.44 0.74 -0.46 -4.46 119.66 116.80 1ghq s GLN 126 Ca 0.22 -1.04 -0.13 0.00 0.05 0.00 0.00 55.36 54.46 1ghq s GLN 126 Cb -0.16 -2.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.89 1ghq s GLN 126 CO 0.11 0.53 0.28 -2.00 -0.55 0.00 0.00 175.29 173.66 1ghq s GLU 127 N -1.07 4.01 0.00 1.67 2.56 -1.26 -4.71 118.70 119.89 1ghq s GLU 127 Ca 0.11 -0.13 0.16 0.00 0.00 0.00 0.00 54.97 55.12 1ghq s GLU 127 Cb -0.10 -3.64 -0.00 0.00 2.00 0.00 0.00 34.13 32.39 1ghq s GLU 127 CO 0.01 -0.18 0.87 -0.25 -0.56 0.00 0.00 175.26 175.15 1ghq n ASP 128 N 5.05 1.66 -3.18 -1.70 8.00 -1.26 -4.79 116.55 120.32 1ghq n ASP 128 Ca -0.11 -1.33 -0.14 0.00 0.71 0.00 0.00 54.79 53.92 1ghq n ASP 128 Cb 0.51 0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 42.02 1ghq n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ghq s ALA 129 N -1.90 -0.65 0.41 2.24 0.00 -1.26 -5.04 121.76 115.56 1ghq s ALA 129 Ca 0.14 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 50.77 1ghq s ALA 129 Cb 0.13 -2.20 -0.11 0.00 0.00 0.00 0.00 23.12 20.94 1ghq s ALA 129 CO 0.41 -2.14 1.06 -2.30 0.00 0.00 0.00 175.76 172.78 1ghq n PRO 130 N 3.52 1.46 -1.35 0.00 -0.02 -1.26 -4.16 135.00 133.19 1ghq n PRO 130 Ca 0.18 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 1ghq n PRO 130 Cb 0.50 -2.09 0.10 0.00 -0.02 0.00 0.00 33.50 31.99 1ghq n PRO 130 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ghq s VAL 131 N -1.24 2.64 0.05 -1.45 -7.23 -1.26 -4.96 120.40 106.94 1ghq s VAL 131 Ca 0.62 0.27 -0.17 0.00 -1.81 0.00 0.00 61.98 60.90 1ghq s VAL 131 Cb -0.56 -2.72 -0.22 0.00 0.56 0.00 0.00 36.38 33.45 1ghq s VAL 131 CO 0.57 -0.21 1.18 0.40 -0.31 0.00 0.00 175.10 176.73 1ghq h ILE 132 N -0.63 1.35 -1.68 -0.62 2.04 -2.03 -3.38 117.51 112.56 1ghq h ILE 132 Ca -0.46 -2.09 -0.72 0.00 1.00 0.00 0.00 64.86 62.59 1ghq h ILE 132 Cb 1.27 2.38 -0.15 0.00 -0.74 0.00 0.00 36.82 39.59 1ghq h ILE 132 CO 0.49 0.63 1.71 1.41 0.00 0.00 0.00 178.15 182.39 1ghq n HIS 133 N -4.06 4.63 0.32 1.37 8.25 -1.26 -4.75 115.22 119.71 1ghq n HIS 133 Ca -0.10 -3.16 0.19 0.00 -0.26 0.00 0.00 57.72 54.40 1ghq n HIS 133 Cb 0.75 -2.29 1.03 0.00 1.12 0.00 0.00 29.99 30.60 1ghq n HIS 133 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1ghq h GLN 134 N 7.04 0.00 -0.84 -0.41 1.08 -1.99 0.15 115.11 120.13 1ghq h GLN 134 Ca 0.37 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.64 1ghq h GLN 134 Cb 0.84 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.21 1ghq h GLN 134 CO 1.36 0.00 0.55 1.05 -0.95 0.00 0.00 178.83 180.84 1ghq h GLU 135 N 0.00 0.88 -0.01 1.46 4.11 -1.95 -3.23 114.58 115.83 1ghq h GLU 135 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1ghq h GLU 135 Cb 0.19 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ghq h GLU 135 CO 0.00 0.58 -0.01 0.00 0.07 0.00 0.00 179.01 179.65 1ghq n MET 136 N -4.49 1.36 -0.27 1.06 0.00 0.04 -3.98 117.12 110.84 1ghq n MET 136 Ca 0.13 -0.57 0.09 0.00 0.00 0.00 0.00 57.70 57.34 1ghq n MET 136 Cb 0.23 -1.49 0.23 0.00 0.00 0.00 0.00 33.22 32.20 1ghq n MET 136 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1ghq n ILE 137 N -0.32 0.98 -3.39 3.17 -5.35 -1.22 -4.09 119.36 109.14 1ghq n ILE 137 Ca 0.20 -0.99 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 1ghq n ILE 137 Cb 0.26 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 1ghq n ILE 137 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ghq n GLY 138 N 1.07 2.77 0.14 3.28 0.00 -1.26 -2.36 105.19 108.85 1ghq n GLY 138 Ca 0.18 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1ghq n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ghq n GLY 139 N 0.00 -0.65 0.10 -0.02 0.00 -1.26 -1.09 105.19 102.28 1ghq n GLY 139 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1ghq n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ghq n LEU 140 N -2.02 0.64 -0.02 0.99 4.32 -0.99 -2.92 117.00 117.00 1ghq n LEU 140 Ca -0.01 0.61 0.01 0.00 -0.02 0.00 0.00 56.01 56.60 1ghq n LEU 140 Cb 0.23 -0.46 0.31 0.00 -1.62 0.00 0.00 43.42 41.88 1ghq n LEU 140 CO 0.06 -0.36 1.00 -0.09 -1.22 0.00 0.00 177.39 176.78 1ghq h ARG 141 N 0.00 0.57 -6.38 3.23 2.43 -1.31 -3.31 114.38 109.62 1ghq h ARG 141 Ca 0.00 -0.10 -0.54 0.00 -0.81 0.00 0.00 59.98 58.53 1ghq h ARG 141 Cb 0.51 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1ghq h ARG 141 CO 0.00 0.53 1.11 1.21 -1.51 0.00 0.00 179.97 181.32 1ghq s ASN 142 N -6.70 6.08 0.00 -3.80 3.84 -1.15 -4.84 114.94 108.39 1ghq s ASN 142 Ca -0.08 0.25 0.04 0.00 0.21 0.00 0.00 52.86 53.28 1ghq s ASN 142 Cb 0.16 -2.55 0.20 0.00 -0.55 0.00 0.00 41.25 38.51 1ghq s ASN 142 CO 0.76 -1.75 1.05 0.59 -2.79 0.00 0.00 177.10 174.96 1ghq n ASN 143 N 9.73 0.00 -4.71 -4.21 3.02 -1.25 -4.76 115.26 113.09 1ghq n ASN 143 Ca 0.12 0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 54.62 1ghq n ASN 143 Cb 0.49 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1ghq n ASN 143 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ghq s ASN 144 N -2.79 6.62 -0.75 6.41 0.02 -1.26 -2.00 114.94 121.19 1ghq s ASN 144 Ca 0.03 2.55 -0.02 0.00 -1.02 0.00 0.00 52.86 54.39 1ghq s ASN 144 Cb 0.03 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.72 1ghq s ASN 144 CO 0.07 -0.82 0.33 -0.62 0.02 0.00 0.00 177.10 176.08 1ghq n GLU 145 N 4.36 -2.55 -0.25 -0.60 1.02 -1.26 -4.91 120.64 116.44 1ghq n GLU 145 Ca 0.14 0.44 -0.07 0.00 -0.02 0.00 0.00 57.16 57.65 1ghq n GLU 145 Cb 0.39 -4.33 0.04 0.00 -0.02 0.00 0.00 31.44 27.53 1ghq n GLU 145 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1ghq h LYS 146 N -0.75 1.07 -0.85 3.49 2.10 -1.71 0.41 116.57 120.33 1ghq h LYS 146 Ca -0.26 -0.23 0.04 0.00 -2.00 0.00 0.00 60.65 58.20 1ghq h LYS 146 Cb 1.18 -0.16 -0.05 0.00 -0.90 0.00 0.00 32.23 32.30 1ghq h LYS 146 CO 0.28 0.92 0.55 -0.44 -2.00 0.00 0.00 179.45 178.76 1ghq h ASP 147 N 1.01 0.91 -0.02 7.07 3.45 -1.89 0.28 116.42 127.23 1ghq h ASP 147 Ca 0.22 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.61 1ghq h ASP 147 Cb 0.29 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1ghq h ASP 147 CO -0.01 0.62 -0.24 0.24 -1.57 0.00 0.00 179.24 178.28 1ghq h MET 148 N 1.06 0.19 0.34 3.56 2.86 -1.89 -1.67 114.93 119.38 1ghq h MET 148 Ca 0.34 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1ghq h MET 148 Cb 0.02 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1ghq h MET 148 CO -0.12 0.89 -0.16 0.00 1.06 0.00 0.00 176.91 178.58 1ghq h ALA 149 N 0.31 -0.45 -0.64 6.32 0.00 -0.69 -0.78 119.26 123.33 1ghq h ALA 149 Ca -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ghq h ALA 149 Cb 0.96 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1ghq h ALA 149 CO 0.05 -0.73 0.21 1.25 0.00 0.00 0.00 179.25 180.03 1ghq h LEU 150 N -0.50 0.88 -0.84 0.00 5.85 -0.58 -1.47 115.31 118.67 1ghq h LEU 150 Ca -0.05 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1ghq h LEU 150 Cb 0.37 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1ghq h LEU 150 CO 0.08 0.82 0.36 0.74 -0.34 0.00 0.00 178.44 180.10 1ghq h THR 151 N 0.93 1.26 -0.31 1.05 2.02 -1.13 -0.50 112.91 116.24 1ghq h THR 151 Ca 0.21 -0.78 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 1ghq h THR 151 Cb 0.24 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1ghq h THR 151 CO -0.01 0.33 0.01 0.00 0.37 0.00 0.00 175.52 176.22 1ghq h ALA 152 N 1.21 0.42 -0.22 6.16 0.00 -0.76 -1.41 119.26 124.66 1ghq h ALA 152 Ca 0.28 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ghq h ALA 152 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ghq h ALA 152 CO -0.03 0.16 0.00 0.35 0.00 0.00 0.00 179.25 179.73 1ghq h PHE 153 N 0.34 -0.01 -0.33 0.00 3.57 -0.97 -0.79 116.94 118.76 1ghq h PHE 153 Ca 0.09 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1ghq h PHE 153 Cb 0.42 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1ghq h PHE 153 CO 0.03 -0.03 -0.11 0.28 -2.23 0.00 0.00 178.31 176.25 1ghq h VAL 154 N 0.07 1.28 -0.77 1.41 2.07 -1.04 -2.81 116.25 116.46 1ghq h VAL 154 Ca 0.10 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.52 1ghq h VAL 154 Cb 0.13 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1ghq h VAL 154 CO -0.17 0.39 0.42 0.25 0.02 0.00 0.00 177.57 178.48 1ghq h LEU 155 N 0.43 0.59 -0.89 2.57 5.85 -0.97 0.00 115.31 122.90 1ghq h LEU 155 Ca 0.08 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1ghq h LEU 155 Cb 0.63 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1ghq h LEU 155 CO 0.04 0.34 0.46 0.40 -0.34 0.00 0.00 178.44 179.34 1ghq h ILE 156 N 0.72 1.26 -0.38 4.05 2.04 -1.06 -0.33 117.51 123.82 1ghq h ILE 156 Ca 0.37 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1ghq h ILE 156 Cb 0.34 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1ghq h ILE 156 CO -0.24 0.30 0.20 0.28 0.00 0.00 0.00 178.15 178.69 1ghq h SER 157 N 1.25 0.47 -0.62 1.72 0.02 -0.99 -2.68 113.55 112.72 1ghq h SER 157 Ca 0.31 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1ghq h SER 157 Cb 0.07 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1ghq h SER 157 CO -0.05 0.43 0.38 -0.07 -1.14 0.00 0.00 176.83 176.39 1ghq h LEU 158 N 0.48 0.75 -1.15 5.07 3.38 -0.27 -1.56 115.31 122.01 1ghq h LEU 158 Ca 0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1ghq h LEU 158 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1ghq h LEU 158 CO -0.02 0.58 -0.07 1.56 0.09 0.00 0.00 178.44 180.58 1ghq h GLN 159 N 0.87 0.51 -0.15 1.13 1.08 -0.78 -1.08 115.11 116.69 1ghq h GLN 159 Ca 0.23 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 1ghq h GLN 159 Cb -0.03 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1ghq h GLN 159 CO -0.04 0.59 -0.33 0.93 -0.95 0.00 0.00 178.83 179.02 1ghq h GLU 160 N 0.48 0.30 -0.60 1.46 5.08 -0.98 -3.02 114.58 117.30 1ghq h GLU 160 Ca 0.09 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ghq h GLU 160 Cb 0.43 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ghq h GLU 160 CO 0.02 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 1ghq n ALA 161 N -2.48 2.40 0.22 3.43 0.00 -0.89 -4.63 120.51 118.56 1ghq n ALA 161 Ca -0.01 -1.15 -0.15 0.00 0.00 0.00 0.00 53.44 52.13 1ghq n ALA 161 Cb 0.43 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1ghq n ALA 161 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ghq h LYS 162 N 4.17 -0.52 -0.55 0.00 3.64 -1.08 0.12 116.57 122.35 1ghq h LYS 162 Ca 0.00 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1ghq h LYS 162 Cb 0.94 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1ghq h LYS 162 CO 0.00 -0.35 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.38 1ghq h ASP 163 N -0.54 0.96 -0.21 4.20 3.32 -1.82 0.20 116.42 122.53 1ghq h ASP 163 Ca -0.04 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 1ghq h ASP 163 Cb 0.43 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1ghq h ASP 163 CO 0.06 1.03 -0.20 0.40 -1.72 0.00 0.00 179.24 178.81 1ghq h ILE 164 N 0.85 1.26 0.00 0.35 2.04 -1.84 -3.35 117.51 116.83 1ghq h ILE 164 Ca 0.15 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1ghq h ILE 164 Cb 0.55 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1ghq h ILE 164 CO 0.03 0.41 -1.58 0.00 0.00 0.00 0.00 178.15 177.01 1ghq h GLU 166 N 0.00 0.07 -0.10 0.00 4.11 -0.74 -0.01 114.58 117.91 1ghq h GLU 166 Ca 0.00 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 1ghq h GLU 166 Cb 0.74 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ghq h GLU 166 CO 0.00 0.05 -0.15 1.49 0.07 0.00 0.00 179.01 180.47 1ghq h GLU 167 N 0.07 0.28 0.00 1.06 4.57 -1.83 -3.29 114.58 115.44 1ghq h GLU 167 Ca 0.67 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1ghq h GLU 167 Cb 2.45 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 31.05 1ghq h GLU 167 CO -0.11 0.73 -0.23 -0.56 -1.18 0.00 0.00 179.01 177.66 1ghq h GLN 168 N -0.15 0.00 -3.21 1.92 -0.00 -1.38 -3.40 115.11 108.89 1ghq h GLN 168 Ca 0.01 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 58.03 1ghq h GLN 168 Cb 0.70 0.00 -0.41 0.00 -0.00 0.00 0.00 27.48 27.77 1ghq h GLN 168 CO 0.03 0.00 -0.65 0.08 -0.00 0.00 0.00 178.83 178.30 1ghq s VAL 169 N -3.13 2.37 0.48 1.86 1.01 -0.23 -4.95 120.40 117.80 1ghq s VAL 169 Ca 0.09 -3.37 0.31 0.00 0.00 0.00 0.00 61.98 59.00 1ghq s VAL 169 Cb 0.12 -2.62 0.34 0.00 0.00 0.00 0.00 36.38 34.22 1ghq s VAL 169 CO 0.65 -0.88 2.16 0.78 0.00 0.00 0.00 175.10 177.81 1ghq h ASN 170 N 6.27 0.00 0.87 3.32 4.21 -1.79 -1.84 115.58 126.63 1ghq h ASN 170 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1ghq h ASN 170 Cb 0.87 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.07 1ghq h ASN 170 CO 0.65 0.06 0.00 -1.54 -1.29 0.00 0.00 177.43 175.31 1ghq n SER 171 N -3.57 0.00 0.00 5.81 3.41 -1.26 -4.23 113.62 113.77 1ghq n SER 171 Ca -0.02 0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 58.82 1ghq n SER 171 Cb 0.18 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 1ghq n SER 171 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ghq h LEU 172 N 0.00 -0.66 -0.52 1.04 5.85 -1.68 -0.43 115.31 118.91 1ghq h LEU 172 Ca 0.00 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1ghq h LEU 172 Cb 0.44 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1ghq h LEU 172 CO 0.00 -0.26 0.20 -0.65 -0.34 0.00 0.00 178.44 177.39 1ghq h PRO 173 N -0.27 0.38 -0.30 5.25 0.11 -1.81 -1.48 132.00 133.88 1ghq h PRO 173 Ca 0.10 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 1ghq h PRO 173 Cb 0.42 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1ghq h PRO 173 CO -0.29 0.25 -0.24 0.78 -0.21 0.00 0.00 178.00 178.29 1ghq h GLY 174 N 0.39 0.62 0.98 -0.55 0.00 -1.77 -2.18 103.07 100.56 1ghq h GLY 174 Ca 0.25 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ghq h GLY 174 CO -0.24 0.47 0.20 0.23 0.00 0.00 0.00 176.54 177.20 1ghq h SER 175 N 0.51 0.40 -0.44 0.19 0.87 -0.32 -1.67 113.55 113.09 1ghq h SER 175 Ca 0.07 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ghq h SER 175 Cb 0.69 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1ghq h SER 175 CO 0.05 0.34 0.29 0.40 -0.53 0.00 0.00 176.83 177.38 1ghq h ILE 176 N 0.44 1.12 -0.53 2.23 2.04 -1.13 0.10 117.51 121.78 1ghq h ILE 176 Ca 0.12 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1ghq h ILE 176 Cb 0.01 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1ghq h ILE 176 CO -0.02 0.12 0.33 0.74 0.00 0.00 0.00 178.15 179.32 1ghq h THR 177 N 0.60 1.15 -0.33 -0.27 2.02 -1.21 0.52 112.91 115.39 1ghq h THR 177 Ca 0.16 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1ghq h THR 177 Cb -0.05 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1ghq h THR 177 CO -0.03 0.16 0.13 0.11 0.37 0.00 0.00 175.52 176.26 1ghq h LYS 178 N 0.72 0.50 -0.42 6.66 1.57 -0.95 0.69 116.57 125.33 1ghq h LYS 178 Ca 0.19 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1ghq h LYS 178 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1ghq h LYS 178 CO -0.04 0.50 0.20 0.00 -0.57 0.00 0.00 179.45 179.54 1ghq h ALA 179 N 0.98 0.54 -0.43 3.86 0.00 -0.43 -1.54 119.26 122.24 1ghq h ALA 179 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ghq h ALA 179 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ghq h ALA 179 CO -0.01 0.10 0.26 0.78 0.00 0.00 0.00 179.25 180.38 1ghq h GLY 180 N 0.54 0.60 0.69 0.00 0.00 0.59 -1.26 103.07 104.23 1ghq h GLY 180 Ca 0.15 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.34 1ghq h GLY 180 CO -0.02 0.18 0.47 -0.55 0.00 0.00 0.00 176.54 176.62 1ghq h ASP 181 N 0.53 0.73 -0.43 0.19 3.32 0.71 -0.19 116.42 121.27 1ghq h ASP 181 Ca 0.17 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1ghq h ASP 181 Cb -0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1ghq h ASP 181 CO -0.07 0.46 -0.00 0.15 -1.72 0.00 0.00 179.24 178.06 1ghq h PHE 182 N 0.86 0.83 -0.35 4.55 3.57 -0.81 -0.23 116.94 125.36 1ghq h PHE 182 Ca 0.35 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1ghq h PHE 182 Cb 0.20 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1ghq h PHE 182 CO -0.05 0.82 0.10 -0.07 -2.23 0.00 0.00 178.31 176.89 1ghq h LEU 183 N 0.60 0.52 -0.27 0.59 3.38 -0.84 -2.60 115.31 116.68 1ghq h LEU 183 Ca 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ghq h LEU 183 Cb 0.49 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1ghq h LEU 183 CO 0.02 0.59 0.13 -0.08 0.09 0.00 0.00 178.44 179.19 1ghq h GLU 184 N 0.42 0.39 0.00 1.13 4.81 -0.91 -1.28 114.58 119.13 1ghq h GLU 184 Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1ghq h GLU 184 Cb 0.26 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ghq h GLU 184 CO -0.00 0.38 -0.03 0.00 -0.73 0.00 0.00 179.01 178.63 1ghq h ALA 185 N 0.99 1.40 -0.03 2.92 0.00 -0.93 -3.14 119.26 120.47 1ghq h ALA 185 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ghq h ALA 185 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ghq h ALA 185 CO -0.01 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.36 1ghq n ASN 186 N -3.70 1.62 -0.03 0.00 3.02 -0.99 -4.75 115.26 110.43 1ghq n ASN 186 Ca -0.03 -1.34 -0.09 0.00 -0.03 0.00 0.00 54.58 53.10 1ghq n ASN 186 Cb 0.12 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 1ghq n ASN 186 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ghq h TYR 187 N 1.21 -0.12 -0.40 3.10 3.20 -1.18 -2.81 116.97 119.96 1ghq h TYR 187 Ca 0.00 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.00 1ghq h TYR 187 Cb 0.30 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1ghq h TYR 187 CO 0.01 -0.09 0.38 0.52 -1.64 0.00 0.00 178.16 177.35 1ghq h MET 188 N -0.02 0.00 -0.04 1.82 2.86 -1.85 -1.21 114.93 116.49 1ghq h MET 188 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1ghq h MET 188 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1ghq h MET 188 CO -0.19 0.00 0.00 0.09 1.06 0.00 0.00 176.91 177.87 1ghq n ASN 189 N -3.90 0.60 -4.77 1.22 5.03 -1.06 -4.92 115.26 107.46 1ghq n ASN 189 Ca 0.07 -1.37 -0.39 0.00 0.87 0.00 0.00 54.58 53.76 1ghq n ASN 189 Cb 0.56 -0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 39.27 1ghq n ASN 189 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ghq s LEU 190 N -1.77 4.28 -0.11 3.41 1.43 -0.46 -4.96 118.68 120.50 1ghq s LEU 190 Ca 0.36 2.32 0.08 0.00 -1.03 0.00 0.00 54.13 55.86 1ghq s LEU 190 Cb 0.18 -3.93 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 1ghq s LEU 190 CO 0.29 -0.53 0.01 0.00 0.23 0.00 0.00 176.35 176.35 1ghq n GLN 191 N 0.33 1.98 -2.91 1.70 1.13 -1.26 -5.02 117.38 113.33 1ghq n GLN 191 Ca 0.03 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.70 1ghq n GLN 191 Cb 0.46 -1.27 -0.06 0.00 0.11 0.00 0.00 30.24 29.48 1ghq n GLN 191 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ghq s ARG 192 N -2.25 4.65 0.33 -1.09 0.52 -1.26 -4.95 118.95 114.90 1ghq s ARG 192 Ca -0.07 1.25 0.02 0.00 -0.52 0.00 0.00 55.73 56.41 1ghq s ARG 192 Cb 0.03 -3.25 0.57 0.00 0.52 0.00 0.00 34.95 32.82 1ghq s ARG 192 CO 0.41 0.55 1.91 0.77 0.02 0.00 0.00 175.30 178.95 1ghq h SER 193 N 4.24 0.63 0.33 0.23 0.02 -1.93 -2.30 113.55 114.77 1ghq h SER 193 Ca -0.46 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1ghq h SER 193 Cb 1.20 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1ghq h SER 193 CO 0.67 0.60 -0.31 0.22 -1.14 0.00 0.00 176.83 176.86 1ghq h TYR 194 N 0.68 -0.82 -0.47 3.45 3.20 -1.89 -0.64 116.97 120.47 1ghq h TYR 194 Ca 0.16 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1ghq h TYR 194 Cb 0.19 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1ghq h TYR 194 CO 0.01 -0.45 0.21 1.15 -1.64 0.00 0.00 178.16 177.44 1ghq h THR 195 N -0.66 1.17 -0.64 1.81 2.02 -1.92 -1.38 112.91 113.30 1ghq h THR 195 Ca -0.02 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1ghq h THR 195 Cb 0.59 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1ghq h THR 195 CO -0.05 0.20 0.24 0.58 0.37 0.00 0.00 175.52 176.86 1ghq h VAL 196 N 0.66 1.24 0.14 3.16 2.07 -1.05 -0.04 116.25 122.42 1ghq h VAL 196 Ca 0.16 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1ghq h VAL 196 Cb 0.10 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1ghq h VAL 196 CO -0.02 0.30 -0.07 0.00 0.02 0.00 0.00 177.57 177.81 1ghq h ALA 197 N 1.10 -0.19 -0.24 1.67 0.00 -0.30 0.12 119.26 121.42 1ghq h ALA 197 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ghq h ALA 197 Cb 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ghq h ALA 197 CO -0.01 -0.44 0.04 0.97 0.00 0.00 0.00 179.25 179.80 1ghq h ILE 198 N -0.51 1.23 -0.02 0.00 2.10 -1.19 0.70 117.51 119.82 1ghq h ILE 198 Ca -0.02 -0.76 -0.10 0.00 1.08 0.00 0.00 64.86 65.06 1ghq h ILE 198 Cb 0.40 1.26 -0.01 0.00 -1.09 0.00 0.00 36.82 37.38 1ghq h ILE 198 CO 0.03 0.24 -0.46 0.00 -1.08 0.00 0.00 178.15 176.88 1ghq h ALA 199 N 0.85 1.21 -0.15 0.18 0.00 -1.10 -1.66 119.26 118.59 1ghq h ALA 199 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1ghq h ALA 199 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ghq h ALA 199 CO 0.00 0.59 0.06 0.78 0.00 0.00 0.00 179.25 180.68 1ghq h GLY 200 N 1.37 0.19 1.00 0.00 0.00 -0.03 0.10 103.07 105.70 1ghq h GLY 200 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1ghq h GLY 200 CO 0.06 0.04 0.32 -1.82 0.00 0.00 0.00 176.54 175.13 1ghq h TYR 201 N 0.14 0.88 -0.92 5.60 3.20 -0.54 0.11 116.97 125.44 1ghq h TYR 201 Ca 0.06 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1ghq h TYR 201 Cb 0.02 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 1ghq h TYR 201 CO -0.10 0.65 0.60 0.00 -1.64 0.00 0.00 178.16 177.68 1ghq h ALA 202 N 1.14 1.21 -0.17 1.82 0.00 -0.74 -0.94 119.26 121.59 1ghq h ALA 202 Ca 0.22 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1ghq h ALA 202 Cb 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1ghq h ALA 202 CO -0.03 0.48 -0.67 -0.07 0.00 0.00 0.00 179.25 178.96 1ghq h LEU 203 N 1.17 0.76 -1.01 0.00 3.38 -0.33 -3.08 115.31 116.19 1ghq h LEU 203 Ca 0.36 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1ghq h LEU 203 Cb -0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1ghq h LEU 203 CO -0.11 1.22 0.66 0.00 0.09 0.00 0.00 178.44 180.30 1ghq h ALA 204 N 0.78 1.31 -0.10 1.53 0.00 -0.14 -0.40 119.26 122.24 1ghq h ALA 204 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ghq h ALA 204 Cb 1.26 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ghq h ALA 204 CO 0.13 0.62 0.09 1.96 0.00 0.00 0.00 179.25 182.04 1ghq h GLN 205 N 1.32 0.00 -0.60 0.00 4.20 -1.10 -1.44 115.11 117.48 1ghq h GLN 205 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1ghq h GLN 205 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1ghq h GLN 205 CO -0.10 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.73 1ghq n MET 206 N -4.16 2.65 -1.43 1.46 2.81 -0.28 -4.93 117.12 113.24 1ghq n MET 206 Ca -0.01 -2.54 -0.11 0.00 -1.81 0.00 0.00 57.70 53.24 1ghq n MET 206 Cb 0.20 -1.56 -0.04 0.00 -0.71 0.00 0.00 33.22 31.11 1ghq n MET 206 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ghq n GLY 207 N 1.62 1.02 0.84 3.03 0.00 -0.54 -4.91 105.19 106.26 1ghq n GLY 207 Ca 0.23 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1ghq n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghq n ARG 208 N -2.60 1.94 -3.09 1.61 1.74 -0.46 -4.77 116.66 111.03 1ghq n ARG 208 Ca -0.11 -1.85 -0.45 0.00 -0.77 0.00 0.00 57.85 54.67 1ghq n ARG 208 Cb 0.38 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 1ghq n ARG 208 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1ghq s LEU 209 N -1.40 5.73 0.29 0.55 2.96 -1.23 -4.89 118.68 120.69 1ghq s LEU 209 Ca 0.27 -2.29 0.03 0.00 -0.22 0.00 0.00 54.13 51.92 1ghq s LEU 209 Cb 0.17 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1ghq s LEU 209 CO 0.24 -0.87 0.17 -0.54 -1.32 0.00 0.00 176.35 174.03 1ghq s LYS 210 N 1.69 1.54 0.79 1.98 1.02 -1.26 -4.54 119.74 120.96 1ghq s LYS 210 Ca 0.27 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.39 1ghq s LYS 210 Cb -0.07 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 1ghq s LYS 210 CO -0.09 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 1ghq n GLY 211 N -0.53 2.47 0.36 -3.33 0.00 -1.26 -1.34 105.19 101.56 1ghq n GLY 211 Ca 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 1ghq n GLY 211 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ghq h PRO 212 N 0.00 1.12 0.07 1.61 0.11 -1.99 -0.39 132.00 132.54 1ghq h PRO 212 Ca 0.00 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1ghq h PRO 212 Cb 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.87 1ghq h PRO 212 CO 0.00 0.78 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.46 1ghq h LEU 213 N 1.14 -0.08 -0.45 2.35 4.07 -1.59 0.04 115.31 120.80 1ghq h LEU 213 Ca 0.30 -0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.25 1ghq h LEU 213 Cb -0.06 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.65 1ghq h LEU 213 CO -0.06 0.01 0.17 0.25 -1.08 0.00 0.00 178.44 177.74 1ghq h LEU 214 N -0.16 0.20 -0.62 1.67 5.85 -0.99 0.06 115.31 121.32 1ghq h LEU 214 Ca -0.01 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1ghq h LEU 214 Cb 0.14 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1ghq h LEU 214 CO 0.02 0.15 0.37 -1.13 -0.34 0.00 0.00 178.44 177.50 1ghq h ASN 215 N 0.35 0.58 -0.23 1.25 -1.24 -0.77 -0.67 115.58 114.86 1ghq h ASN 215 Ca 0.21 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 1ghq h ASN 215 Cb 0.18 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1ghq h ASN 215 CO -0.20 0.39 0.13 0.50 -1.29 0.00 0.00 177.43 176.97 1ghq h LYS 216 N 0.71 0.31 -0.17 6.67 3.64 -0.29 -0.47 116.57 126.97 1ghq h LYS 216 Ca 0.26 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1ghq h LYS 216 Cb 0.07 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 1ghq h LYS 216 CO -0.13 0.28 -0.31 0.35 -2.27 0.00 0.00 179.45 177.38 1ghq h PHE 217 N 0.27 -0.84 -0.27 1.91 3.57 -0.35 0.73 116.94 121.95 1ghq h PHE 217 Ca 0.08 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1ghq h PHE 217 Cb 0.05 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1ghq h PHE 217 CO -0.04 -0.38 0.02 -0.07 -2.23 0.00 0.00 178.31 175.60 1ghq h LEU 218 N -0.36 0.45 -1.08 0.59 3.38 -0.99 -2.94 115.31 114.35 1ghq h LEU 218 Ca 0.11 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ghq h LEU 218 Cb 0.53 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ghq h LEU 218 CO -0.37 0.63 0.00 0.71 0.09 0.00 0.00 178.44 179.50 1ghq h THR 219 N 0.25 0.00 0.00 0.22 1.35 -0.91 -2.31 112.91 111.51 1ghq h THR 219 Ca 0.08 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1ghq h THR 219 Cb 0.39 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1ghq h THR 219 CO 0.01 0.00 -0.15 0.74 -0.25 0.00 0.00 175.52 175.87 1ghq h THR 220 N 0.00 0.42 -3.62 6.82 2.02 -0.66 -3.44 112.91 114.45 1ghq h THR 220 Ca 0.00 -0.87 -0.53 0.00 0.77 0.00 0.00 66.41 65.79 1ghq h THR 220 Cb 0.41 1.62 0.08 0.00 -1.74 0.00 0.00 68.15 68.52 1ghq h THR 220 CO 0.00 0.15 0.76 0.00 0.37 0.00 0.00 175.52 176.80 1ghq s ALA 221 N -3.76 3.61 0.06 6.16 0.00 -0.87 -4.80 121.76 122.15 1ghq s ALA 221 Ca -0.00 1.42 -0.27 0.00 0.00 0.00 0.00 51.96 53.11 1ghq s ALA 221 Cb 0.10 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1ghq s ALA 221 CO 0.60 -0.85 0.85 0.21 0.00 0.00 0.00 175.76 176.57 1ghq s LYS 222 N -1.14 4.57 -1.01 0.00 2.20 0.11 -3.54 119.74 120.93 1ghq s LYS 222 Ca 0.56 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1ghq s LYS 222 Cb -0.44 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1ghq s LYS 222 CO 0.51 0.22 0.00 -0.25 -0.36 0.00 0.00 175.35 175.47 1ghq n ASP 223 N 2.95 -3.54 -1.31 1.43 10.43 -1.26 -1.00 116.55 124.25 1ghq n ASP 223 Ca 0.00 0.23 -0.14 0.00 2.57 0.00 0.00 54.79 57.45 1ghq n ASP 223 Cb 0.50 -3.08 -0.06 0.00 1.84 0.00 0.00 41.12 40.32 1ghq n ASP 223 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1ghq n LYS 224 N -2.59 -1.40 0.00 -1.24 5.02 -1.23 -4.75 118.16 111.96 1ghq n LYS 224 Ca -0.13 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1ghq n LYS 224 Cb 0.56 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 1ghq n LYS 224 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ghq n ASN 225 N -0.70 0.06 -3.67 4.39 2.04 -0.17 -4.34 115.26 112.88 1ghq n ASN 225 Ca -0.14 -0.32 -0.14 0.00 -0.44 0.00 0.00 54.58 53.53 1ghq n ASN 225 Cb 0.50 0.22 -0.07 0.00 -2.53 0.00 0.00 39.78 37.90 1ghq n ASN 225 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ghq s ARG 226 N -0.22 0.85 -0.53 -3.83 1.70 -1.02 -4.37 118.95 111.54 1ghq s ARG 226 Ca 0.00 -0.15 -0.12 0.00 -0.47 0.00 0.00 55.73 54.99 1ghq s ARG 226 Cb 0.00 0.39 0.13 0.00 -0.57 0.00 0.00 34.95 34.90 1ghq s ARG 226 CO 0.00 -0.27 0.45 -1.58 -1.08 0.00 0.00 175.30 172.82 1ghq s TRP 227 N -1.71 3.38 0.07 5.89 0.51 -1.26 0.06 118.94 125.88 1ghq s TRP 227 Ca -0.10 -1.67 0.05 0.00 -2.12 0.00 0.00 56.10 52.26 1ghq s TRP 227 Cb -0.02 -3.64 -0.03 0.00 -0.81 0.00 0.00 33.47 28.97 1ghq s TRP 227 CO 0.03 -1.00 -0.15 -1.83 -0.51 0.00 0.00 176.95 173.49 1ghq s GLU 228 N 1.32 0.86 -0.19 4.98 -1.05 -1.26 -4.37 118.70 119.00 1ghq s GLU 228 Ca 0.06 -0.95 -0.05 0.00 -0.15 0.00 0.00 54.97 53.88 1ghq s GLU 228 Cb -0.26 -0.90 -0.03 0.00 -0.44 0.00 0.00 34.13 32.50 1ghq s GLU 228 CO 0.00 0.20 -0.00 -0.51 0.95 0.00 0.00 175.26 175.90 1ghq s ASP 229 N -1.69 4.93 0.53 0.83 1.01 -1.26 -4.63 116.67 116.40 1ghq s ASP 229 Ca -0.01 -0.14 -0.22 0.00 0.71 0.00 0.00 52.55 52.89 1ghq s ASP 229 Cb -0.10 -1.83 -0.05 0.00 1.01 0.00 0.00 42.92 41.95 1ghq s ASP 229 CO 0.02 0.11 1.35 -2.16 0.21 0.00 0.00 175.17 174.70 1ghq s PRO 230 N 0.75 3.24 -0.03 8.23 0.04 -1.26 -3.53 135.00 142.44 1ghq s PRO 230 Ca 0.00 2.22 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 1ghq s PRO 230 Cb -0.14 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1ghq s PRO 230 CO 0.02 -1.11 0.02 0.41 0.04 0.00 0.00 177.00 176.38 1ghq n GLY 231 N 0.69 -3.12 2.75 0.56 0.00 -1.26 -4.75 105.19 100.06 1ghq n GLY 231 Ca 0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1ghq n GLY 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ghq n LYS 232 N 0.15 -1.51 -0.89 1.61 4.76 -1.26 -4.88 118.16 116.14 1ghq n LYS 232 Ca -0.03 0.75 -0.12 0.00 -2.87 0.00 0.00 58.31 56.03 1ghq n LYS 232 Cb 0.05 -4.65 -0.03 0.00 -1.84 0.00 0.00 35.03 28.56 1ghq n LYS 232 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ghq n GLN 233 N -2.53 1.69 0.00 1.97 10.64 -1.23 -4.42 117.38 123.50 1ghq n GLN 233 Ca -0.04 -1.12 0.14 0.00 -1.83 0.00 0.00 57.00 54.14 1ghq n GLN 233 Cb 0.57 -1.58 0.67 0.00 -0.86 0.00 0.00 30.24 29.03 1ghq n GLN 233 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1ghq n LEU 234 N 1.16 0.00 -1.02 2.61 -0.00 -1.26 -3.12 117.00 115.37 1ghq n LEU 234 Ca 0.26 0.36 0.11 0.00 -0.00 0.00 0.00 56.01 56.73 1ghq n LEU 234 Cb 0.61 -0.36 0.27 0.00 -0.00 0.00 0.00 43.42 43.94 1ghq n LEU 234 CO 0.21 -0.02 0.72 -1.22 -0.00 0.00 0.00 177.39 177.08 1ghq n TYR 235 N -1.36 0.58 0.02 1.47 0.53 -1.26 -4.48 117.16 112.67 1ghq n TYR 235 Ca 0.11 -0.29 -0.05 0.00 -1.02 0.00 0.00 57.90 56.65 1ghq n TYR 235 Cb 0.25 0.00 0.16 0.00 -1.03 0.00 0.00 39.34 38.72 1ghq n TYR 235 CO 0.00 0.00 0.00 -2.95 -1.02 0.00 0.00 176.86 172.89 1ghq h ASN 236 N 3.59 0.48 -0.37 7.72 -1.07 -1.75 0.89 115.58 125.07 1ghq h ASN 236 Ca 0.00 -0.20 -0.07 0.00 0.07 0.00 0.00 56.30 56.10 1ghq h ASN 236 Cb 0.80 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.91 1ghq h ASN 236 CO 0.00 0.81 -0.04 0.58 0.07 0.00 0.00 177.43 178.85 1ghq h VAL 237 N 0.38 1.27 -0.09 6.14 2.07 -1.86 0.26 116.25 124.42 1ghq h VAL 237 Ca 0.04 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1ghq h VAL 237 Cb 0.83 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1ghq h VAL 237 CO 0.07 0.35 0.01 -0.08 0.02 0.00 0.00 177.57 177.94 1ghq h GLU 238 N 0.48 0.16 -0.38 1.57 4.81 -1.82 -0.70 114.58 118.70 1ghq h GLU 238 Ca 0.10 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1ghq h GLU 238 Cb 0.52 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1ghq h GLU 238 CO 0.03 0.39 0.24 0.00 -0.73 0.00 0.00 179.01 178.94 1ghq h ALA 239 N 0.76 0.48 0.00 2.92 0.00 -0.80 -1.84 119.26 120.77 1ghq h ALA 239 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ghq h ALA 239 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ghq h ALA 239 CO 0.00 -0.08 -0.26 1.15 0.00 0.00 0.00 179.25 180.06 1ghq h THR 240 N 0.49 0.97 -0.25 0.00 2.02 -0.81 0.41 112.91 115.74 1ghq h THR 240 Ca 0.14 -0.96 -0.17 0.00 0.77 0.00 0.00 66.41 66.20 1ghq h THR 240 Cb -0.03 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1ghq h THR 240 CO -0.05 0.25 -0.50 0.28 0.37 0.00 0.00 175.52 175.88 1ghq h SER 241 N 0.00 0.87 -0.65 4.18 0.02 -0.52 0.22 113.55 117.67 1ghq h SER 241 Ca -0.00 -0.54 -0.01 0.00 -0.84 0.00 0.00 61.79 60.39 1ghq h SER 241 Cb 0.53 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1ghq h SER 241 CO 0.03 1.25 0.37 1.88 -1.14 0.00 0.00 176.83 179.23 1ghq h TYR 242 N 0.52 0.88 -0.68 3.45 0.05 -0.65 -0.90 116.97 119.63 1ghq h TYR 242 Ca 0.01 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1ghq h TYR 242 Cb 1.11 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 1ghq h TYR 242 CO 0.08 0.61 0.16 0.00 -1.05 0.00 0.00 178.16 177.97 1ghq h ALA 243 N 1.19 0.99 -0.63 3.88 0.00 -0.62 -0.85 119.26 123.23 1ghq h ALA 243 Ca 0.23 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ghq h ALA 243 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1ghq h ALA 243 CO -0.04 0.65 0.21 1.25 0.00 0.00 0.00 179.25 181.32 1ghq h LEU 244 N 1.03 0.87 -0.99 0.00 5.85 -0.08 -0.10 115.31 121.90 1ghq h LEU 244 Ca 0.22 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1ghq h LEU 244 Cb 0.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1ghq h LEU 244 CO 0.00 0.81 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.80 1ghq h LEU 245 N 0.92 0.65 -0.33 2.25 3.38 -0.50 -0.66 115.31 121.02 1ghq h LEU 245 Ca 0.21 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1ghq h LEU 245 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ghq h LEU 245 CO -0.01 0.75 -0.07 0.00 0.09 0.00 0.00 178.44 179.20 1ghq h ALA 246 N 1.32 0.46 -1.01 1.53 0.00 -0.07 -1.00 119.26 120.49 1ghq h ALA 246 Ca 0.12 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ghq h ALA 246 Cb 0.46 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1ghq h ALA 246 CO 0.02 0.29 0.67 -0.07 0.00 0.00 0.00 179.25 180.16 1ghq h LEU 247 N 0.42 1.14 -0.44 0.00 3.38 -0.77 0.16 115.31 119.20 1ghq h LEU 247 Ca 0.09 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1ghq h LEU 247 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1ghq h LEU 247 CO 0.03 0.82 -0.31 -0.07 0.09 0.00 0.00 178.44 179.00 1ghq h LEU 248 N 1.34 1.01 -1.08 1.67 3.38 -0.98 -0.23 115.31 120.42 1ghq h LEU 248 Ca 0.38 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1ghq h LEU 248 Cb -0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.32 1ghq h LEU 248 CO -0.09 1.23 0.27 -0.61 0.09 0.00 0.00 178.44 179.33 1ghq h GLN 249 N 0.81 0.93 -0.00 1.13 5.75 -0.51 -1.65 115.11 121.57 1ghq h GLN 249 Ca 0.08 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1ghq h GLN 249 Cb 0.90 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1ghq h GLN 249 CO 0.08 0.74 -0.07 1.28 -2.65 0.00 0.00 178.83 178.22 1ghq n LEU 250 N -4.32 0.12 -2.53 -2.39 4.77 0.50 -4.90 117.00 108.24 1ghq n LEU 250 Ca 0.06 0.30 -0.19 0.00 -0.03 0.00 0.00 56.01 56.15 1ghq n LEU 250 Cb 0.16 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1ghq n LEU 250 CO 0.39 0.03 -0.19 0.29 -1.33 0.00 0.00 177.39 176.57 1ghq n LYS 251 N -1.35 -2.32 -1.93 3.23 5.02 -0.20 -4.86 118.16 115.75 1ghq n LYS 251 Ca 0.10 0.86 -0.42 0.00 -2.02 0.00 0.00 58.31 56.84 1ghq n LYS 251 Cb 0.30 -5.54 -0.00 0.00 -0.02 0.00 0.00 35.03 29.77 1ghq n LYS 251 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ghq n ASP 252 N -2.04 4.69 0.31 4.39 2.03 -0.60 -4.77 116.55 120.57 1ghq n ASP 252 Ca -0.19 -2.93 0.19 0.00 0.52 0.00 0.00 54.79 52.37 1ghq n ASP 252 Cb 0.65 -1.58 1.01 0.00 -0.72 0.00 0.00 41.12 40.49 1ghq n ASP 252 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1ghq h PHE 253 N 5.81 0.00 0.00 -0.67 0.04 -1.89 -2.43 116.94 117.80 1ghq h PHE 253 Ca 0.53 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.26 1ghq h PHE 253 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1ghq h PHE 253 CO 1.41 0.02 -0.21 0.38 -0.60 0.00 0.00 178.31 179.31 1ghq h ASP 254 N 0.00 0.00 0.61 2.17 2.03 -1.96 -3.22 116.42 116.05 1ghq h ASP 254 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ghq h ASP 254 Cb 0.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1ghq h ASP 254 CO 0.00 0.21 -1.14 0.33 -1.03 0.00 0.00 179.24 177.61 1ghq n PHE 255 N -3.19 0.52 -0.17 4.15 -0.00 -0.93 -4.53 117.46 113.32 1ghq n PHE 255 Ca 0.02 0.15 -0.08 0.00 -0.00 0.00 0.00 57.45 57.54 1ghq n PHE 255 Cb 0.57 -0.67 0.01 0.00 -0.00 0.00 0.00 39.48 39.40 1ghq n PHE 255 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1ghq h VAL 256 N 0.00 1.20 -0.49 -2.13 2.07 -1.54 -3.37 116.25 111.99 1ghq h VAL 256 Ca 0.00 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.03 1ghq h VAL 256 Cb 0.88 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 31.22 1ghq h VAL 256 CO 0.00 0.23 -0.16 -0.65 0.02 0.00 0.00 177.57 177.01 1ghq h PRO 257 N 0.66 -0.05 0.00 1.57 0.11 -1.80 0.28 132.00 132.78 1ghq h PRO 257 Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1ghq h PRO 257 Cb 0.15 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 1ghq h PRO 257 CO -0.02 -0.03 -0.10 -1.35 -0.21 0.00 0.00 178.00 176.29 1ghq h PRO 258 N -0.05 0.00 -0.12 1.05 0.11 -1.84 -1.63 132.00 129.52 1ghq h PRO 258 Ca 0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.29 1ghq h PRO 258 Cb 0.41 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1ghq h PRO 258 CO -0.53 0.10 -0.15 0.28 -0.21 0.00 0.00 178.00 177.48 1ghq h VAL 259 N 0.00 1.36 -0.48 3.15 2.07 -1.15 -1.18 116.25 120.02 1ghq h VAL 259 Ca -0.00 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 1ghq h VAL 259 Cb 0.21 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1ghq h VAL 259 CO 0.01 0.39 0.15 0.58 0.02 0.00 0.00 177.57 178.72 1ghq h VAL 260 N -0.08 1.23 -0.61 2.57 2.07 -1.14 -0.71 116.25 119.59 1ghq h VAL 260 Ca 0.02 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1ghq h VAL 260 Cb 0.70 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1ghq h VAL 260 CO 0.04 0.28 0.34 -0.09 0.02 0.00 0.00 177.57 178.16 1ghq h ARG 261 N 0.64 0.64 -0.30 1.57 2.43 -1.26 0.24 114.38 118.34 1ghq h ARG 261 Ca 0.15 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1ghq h ARG 261 Cb 0.28 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1ghq h ARG 261 CO -0.00 0.42 0.06 2.35 -1.51 0.00 0.00 179.97 181.29 1ghq h TRP 262 N 0.66 0.52 -0.90 2.20 7.01 -0.82 -2.47 115.95 122.15 1ghq h TRP 262 Ca 0.26 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.23 1ghq h TRP 262 Cb 0.11 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 1ghq h TRP 262 CO -0.07 0.57 0.58 -0.07 -2.79 0.00 0.00 178.44 176.66 1ghq h LEU 263 N 0.32 0.96 -0.61 0.65 3.38 -0.54 -1.26 115.31 118.22 1ghq h LEU 263 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ghq h LEU 263 Cb 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ghq h LEU 263 CO 0.00 0.66 0.00 -3.20 0.09 0.00 0.00 178.44 175.99 1ghq n ASN 264 N -4.52 0.54 -0.13 -0.43 4.05 0.79 -1.48 115.26 114.07 1ghq n ASN 264 Ca 0.12 0.64 0.12 0.00 0.45 0.00 0.00 54.58 55.91 1ghq n ASN 264 Cb 0.10 -0.75 0.26 0.00 1.23 0.00 0.00 39.78 40.62 1ghq n ASN 264 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1ghq n GLU 265 N -2.10 0.42 -3.17 1.20 1.02 -0.48 -4.31 120.64 113.22 1ghq n GLU 265 Ca 0.02 -0.26 -0.32 0.00 -0.02 0.00 0.00 57.16 56.58 1ghq n GLU 265 Cb 0.21 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 1ghq n GLU 265 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ghq s GLN 266 N -2.76 3.88 -1.59 3.49 -1.52 -0.55 -4.95 119.66 115.66 1ghq s GLN 266 Ca 0.17 0.48 -0.09 0.00 -1.95 0.00 0.00 55.36 53.96 1ghq s GLN 266 Cb 0.18 -2.50 -0.06 0.00 -0.22 0.00 0.00 33.01 30.41 1ghq s GLN 266 CO 0.63 0.16 2.90 -2.13 -0.25 0.00 0.00 175.29 176.60 1ghq n ARG 267 N -0.53 3.81 0.03 2.91 0.63 -1.26 -4.67 116.66 117.58 1ghq n ARG 267 Ca 0.02 -2.35 0.09 0.00 -0.92 0.00 0.00 57.85 54.69 1ghq n ARG 267 Cb 0.53 -2.78 0.38 0.00 0.45 0.00 0.00 32.46 31.04 1ghq n ARG 267 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1ghq n TYR 268 N 3.37 0.22 0.93 -0.14 0.18 -1.26 -1.62 117.16 118.84 1ghq n TYR 268 Ca 0.77 0.08 0.11 0.00 1.88 0.00 0.00 57.90 60.74 1ghq n TYR 268 Cb 0.23 -0.63 0.31 0.00 -0.38 0.00 0.00 39.34 38.87 1ghq n TYR 268 CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 1ghq n TYR 269 N -1.69 0.30 -0.29 -3.48 0.18 -1.26 -4.52 117.16 106.39 1ghq n TYR 269 Ca 0.04 -0.15 0.15 0.00 1.88 0.00 0.00 57.90 59.82 1ghq n TYR 269 Cb 0.21 0.00 0.42 0.00 -0.38 0.00 0.00 39.34 39.59 1ghq n TYR 269 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1ghq h GLY 270 N 4.86 1.23 0.00 -7.48 0.00 -1.70 -3.48 103.07 96.51 1ghq h GLY 270 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ghq h GLY 270 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1ghq n GLY 271 N -1.44 0.76 0.00 4.60 0.00 -1.26 -5.01 105.19 102.84 1ghq n GLY 271 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1ghq n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ghq n GLY 272 N 0.00 0.23 3.64 -0.02 0.00 -1.26 -4.67 105.19 103.11 1ghq n GLY 272 Ca 0.00 -1.88 -0.46 0.00 0.00 0.00 0.00 46.02 43.67 1ghq n GLY 272 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ghq n TYR 273 N 0.38 1.87 -1.16 1.61 9.36 -1.26 -2.00 117.16 125.97 1ghq n TYR 273 Ca 0.00 0.50 -0.05 0.00 3.32 0.00 0.00 57.90 61.67 1ghq n TYR 273 Cb 0.00 -2.40 -0.02 0.00 -0.63 0.00 0.00 39.34 36.28 1ghq n TYR 273 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ghq n GLY 274 N 2.23 0.70 0.74 2.98 0.00 -1.26 -4.89 105.19 105.68 1ghq n GLY 274 Ca 0.13 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1ghq n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ghq n SER 275 N -0.37 2.22 -0.04 1.61 3.41 -0.85 -4.62 113.62 114.99 1ghq n SER 275 Ca -0.05 -1.80 -0.10 0.00 -0.26 0.00 0.00 58.87 56.66 1ghq n SER 275 Cb 0.35 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 1ghq n SER 275 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ghq h THR 276 N 2.98 0.25 -0.46 6.66 1.35 -1.83 0.11 112.91 121.97 1ghq h THR 276 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.72 1ghq h THR 276 Cb 0.65 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 1ghq h THR 276 CO 0.00 0.00 -0.24 1.56 -0.25 0.00 0.00 175.52 176.59 1ghq h GLN 277 N -0.36 0.99 -0.77 4.72 1.08 -1.82 -0.77 115.11 118.18 1ghq h GLN 277 Ca 0.12 -0.44 -0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1ghq h GLN 277 Cb 0.55 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 1ghq h GLN 277 CO -0.42 1.11 0.48 0.00 -0.95 0.00 0.00 178.83 179.05 1ghq h ALA 278 N 0.85 0.98 0.22 3.87 0.00 -1.80 0.11 119.26 123.49 1ghq h ALA 278 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ghq h ALA 278 Cb 0.83 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ghq h ALA 278 CO 0.07 0.43 -0.10 1.15 0.00 0.00 0.00 179.25 180.80 1ghq h THR 279 N 1.05 0.86 -0.53 0.00 2.02 -0.58 0.08 112.91 115.81 1ghq h THR 279 Ca 0.28 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1ghq h THR 279 Cb -0.06 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1ghq h THR 279 CO -0.05 0.11 0.31 0.15 0.37 0.00 0.00 175.52 176.41 1ghq h PHE 280 N -0.55 0.58 -0.12 3.16 3.57 -0.98 -2.97 116.94 119.62 1ghq h PHE 280 Ca -0.03 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1ghq h PHE 280 Cb 0.41 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ghq h PHE 280 CO 0.01 0.32 -0.48 0.52 -2.23 0.00 0.00 178.31 176.45 1ghq h MET 281 N 0.61 0.54 -0.69 1.11 2.86 -0.70 -2.30 114.93 116.36 1ghq h MET 281 Ca 0.22 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 1ghq h MET 281 Cb 0.05 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1ghq h MET 281 CO -0.11 1.05 0.16 -0.24 1.06 0.00 0.00 176.91 178.82 1ghq h VAL 282 N 0.15 1.26 -0.12 -2.22 3.04 -1.02 0.26 116.25 117.60 1ghq h VAL 282 Ca -0.03 -0.98 -0.15 0.00 -1.01 0.00 0.00 66.70 64.54 1ghq h VAL 282 Cb 1.12 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1ghq h VAL 282 CO 0.10 0.37 -0.56 -0.26 -1.01 0.00 0.00 177.57 176.21 1ghq h PHE 283 N 1.05 0.48 -0.19 3.17 -1.00 -1.60 0.13 116.94 118.97 1ghq h PHE 283 Ca 0.22 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 1ghq h PHE 283 Cb 0.38 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1ghq h PHE 283 CO 0.03 0.85 0.05 0.37 -1.61 0.00 0.00 178.31 178.00 1ghq h GLN 284 N 0.29 0.30 -0.14 1.51 4.15 -0.96 -0.14 115.11 120.12 1ghq h GLN 284 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1ghq h GLN 284 Cb 1.08 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 1ghq h GLN 284 CO 0.10 0.42 -0.00 0.00 -1.93 0.00 0.00 178.83 177.41 1ghq h ALA 285 N 0.86 0.19 0.00 3.38 0.00 -0.33 0.32 119.26 123.68 1ghq h ALA 285 Ca 0.06 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1ghq h ALA 285 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ghq h ALA 285 CO -0.00 -0.11 -0.39 -0.07 0.00 0.00 0.00 179.25 178.68 1ghq h LEU 286 N -0.02 0.00 -0.30 0.00 3.38 -0.79 -0.82 115.31 116.76 1ghq h LEU 286 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1ghq h LEU 286 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ghq h LEU 286 CO 0.01 0.39 -0.27 0.00 0.09 0.00 0.00 178.44 178.66 1ghq h ALA 287 N 1.61 0.43 -0.50 1.53 0.00 -0.92 -2.55 119.26 118.87 1ghq h ALA 287 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1ghq h ALA 287 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ghq h ALA 287 CO 0.05 0.43 0.12 0.37 0.00 0.00 0.00 179.25 180.23 1ghq h GLN 288 N 0.45 0.76 -0.54 0.00 5.75 -0.27 0.18 115.11 121.44 1ghq h GLN 288 Ca 0.05 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1ghq h GLN 288 Cb 0.84 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 1ghq h GLN 288 CO 0.07 0.69 0.32 -0.92 -2.65 0.00 0.00 178.83 176.34 1ghq h TYR 289 N 0.73 0.72 0.00 3.99 3.20 -1.08 -1.56 116.97 122.97 1ghq h TYR 289 Ca 0.16 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 1ghq h TYR 289 Cb 0.27 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1ghq h TYR 289 CO 0.01 0.51 -0.58 1.96 -1.64 0.00 0.00 178.16 178.42 1ghq h GLN 290 N 0.73 0.00 -0.11 1.82 4.20 -0.96 -1.67 115.11 119.13 1ghq h GLN 290 Ca 0.19 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 1ghq h GLN 290 Cb -0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ghq h GLN 290 CO -0.04 0.58 -0.55 -0.22 -0.67 0.00 0.00 178.83 177.93 1ghq h LYS 291 N 0.00 0.33 0.00 1.46 3.64 -0.38 -3.22 116.57 118.40 1ghq h LYS 291 Ca -0.01 -0.21 -0.20 0.00 -1.27 0.00 0.00 60.65 58.96 1ghq h LYS 291 Cb 1.10 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1ghq h LYS 291 CO 0.08 0.79 -1.00 -0.44 -2.27 0.00 0.00 179.45 176.61 1ghq h ASP 292 N 0.25 0.00 -0.83 4.20 3.32 -1.09 -3.39 116.42 118.89 1ghq h ASP 292 Ca 0.00 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.25 1ghq h ASP 292 Cb 1.04 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.47 1ghq h ASP 292 CO 0.09 0.95 0.27 0.00 -1.72 0.00 0.00 179.24 178.83 1ghq h ALA 293 N 1.05 1.21 0.00 3.45 0.00 -1.31 -1.61 119.26 122.06 1ghq h ALA 293 Ca -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ghq h ALA 293 Cb 1.75 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ghq h ALA 293 CO 0.12 -0.37 -0.01 -1.35 0.00 0.00 0.00 179.25 177.64 1ghq h PRO 294 N 0.31 0.00 0.00 0.00 0.11 -1.75 -2.37 132.00 128.30 1ghq h PRO 294 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1ghq h PRO 294 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ghq h PRO 294 CO -0.55 0.01 -0.82 0.43 -0.21 0.00 0.00 178.00 176.86 1ghq n SER 295 N -3.40 0.72 -3.60 -2.05 7.64 -0.62 -4.85 113.62 107.46 1ghq n SER 295 Ca -0.03 -0.55 -0.26 0.00 1.01 0.00 0.00 58.87 59.05 1ghq n SER 295 Cb 0.11 0.68 -0.17 0.00 -1.01 0.00 0.00 64.21 63.83 1ghq n SER 295 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ghq s ASP 296 N -3.19 2.34 0.47 6.43 1.01 -0.89 -5.01 116.67 117.83 1ghq s ASP 296 Ca 0.08 -0.62 0.24 0.00 0.71 0.00 0.00 52.55 52.95 1ghq s ASP 296 Cb 0.16 -0.20 1.26 0.00 1.01 0.00 0.00 42.92 45.15 1ghq s ASP 296 CO 0.79 -0.35 1.87 0.45 0.21 0.00 0.00 175.17 178.14 1ghq h HIS 297 N 8.41 0.31 0.00 4.23 3.86 -1.89 -1.40 115.15 128.68 1ghq h HIS 297 Ca -0.15 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1ghq h HIS 297 Cb 1.14 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 1ghq h HIS 297 CO 0.16 0.07 -0.03 1.96 0.86 0.00 0.00 177.93 180.96 1ghq h GLN 298 N 0.23 0.00 -3.25 2.45 7.50 -1.95 -3.21 115.11 116.88 1ghq h GLN 298 Ca 0.45 0.00 -0.79 0.00 0.50 0.00 0.00 58.65 58.81 1ghq h GLN 298 Cb 1.40 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 28.70 1ghq h GLN 298 CO -0.11 0.03 1.19 0.39 -1.50 0.00 0.00 178.83 178.82 1ghq n GLU 299 N -3.47 4.08 -0.06 1.46 1.02 -0.53 -4.76 120.64 118.39 1ghq n GLU 299 Ca -0.02 -4.18 0.12 0.00 -0.02 0.00 0.00 57.16 53.05 1ghq n GLU 299 Cb 0.13 -2.67 0.24 0.00 -0.02 0.00 0.00 31.44 29.12 1ghq n GLU 299 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1ghq n LEU 300 N 2.46 2.70 -4.79 -4.62 -0.00 -1.22 -4.68 117.00 106.85 1ghq n LEU 300 Ca 0.31 -1.01 -0.34 0.00 -0.00 0.00 0.00 56.01 54.97 1ghq n LEU 300 Cb 0.35 -0.08 -0.02 0.00 -0.00 0.00 0.00 43.42 43.67 1ghq n LEU 300 CO 0.73 0.51 0.73 0.20 -0.00 0.00 0.00 177.39 179.56 1ghq s ASN 301 N -1.80 6.07 -0.52 1.45 0.01 -1.26 -5.00 114.94 113.88 1ghq s ASN 301 Ca 0.33 1.98 -0.17 0.00 -0.71 0.00 0.00 52.86 54.30 1ghq s ASN 301 Cb 0.21 -2.56 0.10 0.00 0.41 0.00 0.00 41.25 39.40 1ghq s ASN 301 CO 0.31 -0.97 0.52 -0.22 -1.51 0.00 0.00 177.10 175.22 1ghq s LEU 302 N -3.74 5.68 -0.18 0.60 2.96 -1.26 -4.85 118.68 117.89 1ghq s LEU 302 Ca 0.68 -1.45 0.13 0.00 -0.22 0.00 0.00 54.13 53.28 1ghq s LEU 302 Cb -0.18 -2.25 0.40 0.00 0.50 0.00 0.00 46.19 44.65 1ghq s LEU 302 CO 0.25 -0.84 1.20 -0.90 -1.32 0.00 0.00 176.35 174.74 1ghq n ASP 303 N 5.57 1.69 -4.93 3.68 5.75 -1.26 -4.92 116.55 122.13 1ghq n ASP 303 Ca -0.12 -3.62 -0.26 0.00 -0.01 0.00 0.00 54.79 50.79 1ghq n ASP 303 Cb 0.42 -0.49 0.05 0.00 -1.03 0.00 0.00 41.12 40.07 1ghq n ASP 303 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ghq s VAL 304 N -2.86 2.73 0.12 2.12 0.11 -1.26 -4.84 120.40 116.52 1ghq s VAL 304 Ca 0.36 -0.21 -0.31 0.00 -2.93 0.00 0.00 61.98 58.90 1ghq s VAL 304 Cb 0.36 -3.14 -0.10 0.00 -1.53 0.00 0.00 36.38 31.96 1ghq s VAL 304 CO -0.07 -0.15 1.80 -0.44 -3.33 0.00 0.00 175.10 172.92 1ghq s SER 305 N -4.44 6.44 0.56 3.54 0.01 -1.26 -4.60 113.70 113.95 1ghq s SER 305 Ca 0.58 2.74 0.01 0.00 1.31 0.00 0.00 55.95 60.59 1ghq s SER 305 Cb -0.11 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.60 1ghq s SER 305 CO 0.44 -0.99 0.79 -0.76 0.41 0.00 0.00 173.24 173.13 1ghq s LEU 306 N 2.63 3.25 0.00 2.44 2.01 0.51 -4.93 118.68 124.59 1ghq s LEU 306 Ca 0.80 -0.07 0.15 0.00 0.01 0.00 0.00 54.13 55.02 1ghq s LEU 306 Cb -0.46 -2.76 0.90 0.00 0.01 0.00 0.00 46.19 43.88 1ghq s LEU 306 CO 0.36 -1.20 1.31 0.00 1.01 0.00 0.00 176.35 177.83