#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhw s THR 27 N 0.00 0.02 -0.09 6.66 -4.23 -1.26 -4.78 115.64 111.97 1qhw s THR 27 Ca 0.00 -1.73 -0.21 0.00 -1.18 0.00 0.00 61.69 58.57 1qhw s THR 27 Cb 0.00 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1qhw s THR 27 CO 0.00 -0.09 0.59 -0.22 -0.54 0.00 0.00 174.62 174.36 1qhw s LEU 28 N -3.08 4.30 0.00 4.79 2.96 -0.75 -4.92 118.68 121.99 1qhw s LEU 28 Ca 0.29 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.25 1qhw s LEU 28 Cb 0.04 -2.90 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 1qhw s LEU 28 CO 0.08 -0.05 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.83 1qhw s ARG 29 N 0.67 0.78 0.10 1.98 0.52 -1.26 -0.84 118.95 120.89 1qhw s ARG 29 Ca 0.32 -0.44 -0.25 0.00 -0.52 0.00 0.00 55.73 54.84 1qhw s ARG 29 Cb -0.17 -0.74 0.07 0.00 0.52 0.00 0.00 34.95 34.63 1qhw s ARG 29 CO 0.14 0.20 0.64 -0.59 0.02 0.00 0.00 175.30 175.71 1qhw s PHE 30 N -0.40 -0.55 -0.10 -0.53 -0.12 -0.48 -0.61 117.98 115.17 1qhw s PHE 30 Ca 0.02 0.51 -0.05 0.00 -0.05 0.00 0.00 56.93 57.36 1qhw s PHE 30 Cb -0.05 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1qhw s PHE 30 CO -0.00 -0.77 0.09 0.08 -0.05 0.00 0.00 175.22 174.57 1qhw s VAL 31 N -3.10 5.07 -0.18 -2.49 1.01 -1.03 -0.50 120.40 119.18 1qhw s VAL 31 Ca -0.02 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1qhw s VAL 31 Cb -0.01 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1qhw s VAL 31 CO -0.07 0.60 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 1qhw s ALA 32 N -0.99 1.97 0.02 5.51 0.00 -0.21 -0.01 121.76 128.04 1qhw s ALA 32 Ca 0.15 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1qhw s ALA 32 Cb -0.12 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1qhw s ALA 32 CO 0.04 -0.65 -0.06 0.54 0.00 0.00 0.00 175.76 175.62 1qhw s VAL 33 N 1.42 0.47 0.16 0.00 0.11 -0.83 -1.83 120.40 119.90 1qhw s VAL 33 Ca 0.01 -0.66 -0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1qhw s VAL 33 Cb -0.15 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1qhw s VAL 33 CO -0.09 -0.14 0.06 -0.83 -3.33 0.00 0.00 175.10 170.77 1qhw s GLY 34 N -0.86 1.18 -1.29 6.54 0.00 -0.66 -1.67 107.32 110.55 1qhw s GLY 34 Ca -0.04 -1.57 -0.05 0.00 0.00 0.00 0.00 44.72 43.06 1qhw s GLY 34 CO 0.00 -1.43 0.64 1.22 0.00 0.00 0.00 173.10 173.53 1qhw n ASP 35 N -0.19 -2.03 -0.67 1.64 9.92 0.12 -1.96 116.55 123.38 1qhw n ASP 35 Ca -0.04 -0.92 0.07 0.00 -0.53 0.00 0.00 54.79 53.37 1qhw n ASP 35 Cb 0.64 -3.64 0.11 0.00 -0.64 0.00 0.00 41.12 37.59 1qhw n ASP 35 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1qhw n TRP 36 N -4.25 0.20 0.00 1.24 4.27 -1.18 -2.27 117.44 115.44 1qhw n TRP 36 Ca -0.25 -0.16 0.00 0.00 -3.89 0.00 0.00 57.50 53.20 1qhw n TRP 36 Cb 0.66 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.60 1qhw n TRP 36 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1qhw n GLY 37 N 0.83 0.25 6.50 -1.67 0.00 -0.92 -4.74 105.19 105.44 1qhw n GLY 37 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1qhw n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhw n GLY 38 N 1.47 1.61 3.15 -0.02 0.00 -1.26 -1.50 105.19 108.63 1qhw n GLY 38 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1qhw n GLY 38 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qhw s VAL 39 N 0.00 0.12 0.13 1.61 -7.23 -1.20 -4.50 120.40 109.33 1qhw s VAL 39 Ca 0.00 -1.86 0.26 0.00 -1.81 0.00 0.00 61.98 58.58 1qhw s VAL 39 Cb 0.00 -1.93 0.28 0.00 0.56 0.00 0.00 36.38 35.29 1qhw s VAL 39 CO 0.00 -0.56 1.87 -0.65 -0.31 0.00 0.00 175.10 175.45 1qhw h PRO 40 N 2.90 0.00 -6.02 4.82 0.11 -1.87 -3.40 132.00 128.54 1qhw h PRO 40 Ca -0.35 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.10 1qhw h PRO 40 Cb 1.19 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 1qhw h PRO 40 CO 0.60 0.16 -0.61 0.54 -0.21 0.00 0.00 178.00 178.48 1qhw s ASN 41 N -6.07 5.40 0.41 -2.05 4.22 -1.26 -4.89 114.94 110.70 1qhw s ASN 41 Ca 0.01 0.11 -0.22 0.00 -2.14 0.00 0.00 52.86 50.62 1qhw s ASN 41 Cb 0.10 -1.51 -0.13 0.00 1.28 0.00 0.00 41.25 40.99 1qhw s ASN 41 CO 0.61 0.31 0.47 0.00 -2.04 0.00 0.00 177.10 176.45 1qhw n ALA 42 N 1.59 -1.79 1.26 3.54 0.00 -1.26 -1.35 120.51 122.49 1qhw n ALA 42 Ca -0.16 0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1qhw n ALA 42 Cb 0.53 -1.72 0.34 0.00 0.00 0.00 0.00 19.45 18.60 1qhw n ALA 42 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1qhw n PRO 43 N 0.73 0.63 -1.06 0.00 -0.02 -1.26 -4.92 135.00 129.10 1qhw n PRO 43 Ca 0.12 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1qhw n PRO 43 Cb 0.39 -1.28 -0.01 0.00 -0.02 0.00 0.00 33.50 32.58 1qhw n PRO 43 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qhw n PHE 44 N -0.78 0.00 -4.07 6.00 3.72 -0.46 -4.76 117.46 117.11 1qhw n PHE 44 Ca 0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.41 1qhw n PHE 44 Cb 0.04 -0.82 -0.10 0.00 -0.94 0.00 0.00 39.48 37.67 1qhw n PHE 44 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 1qhw s HIS 45 N -1.92 0.49 0.41 1.38 -3.43 -1.26 -3.28 115.29 107.67 1qhw s HIS 45 Ca 0.00 -1.02 0.07 0.00 -0.80 0.00 0.00 55.06 53.31 1qhw s HIS 45 Cb 0.00 -0.36 -0.07 0.00 -1.43 0.00 0.00 32.58 30.72 1qhw s HIS 45 CO 0.00 -0.39 0.08 0.95 -2.00 0.00 0.00 174.74 173.38 1qhw s THR 46 N -3.89 2.17 0.21 -5.38 -4.23 -1.26 -4.76 115.64 98.50 1qhw s THR 46 Ca 0.07 -1.87 -0.09 0.00 -1.18 0.00 0.00 61.69 58.62 1qhw s THR 46 Cb 0.08 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 71.10 1qhw s THR 46 CO -0.10 -0.01 1.84 0.00 -0.54 0.00 0.00 174.62 175.81 1qhw h ALA 47 N 1.62 1.02 -0.52 3.99 0.00 -1.99 -1.79 119.26 121.58 1qhw h ALA 47 Ca -0.43 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1qhw h ALA 47 Cb 1.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1qhw h ALA 47 CO 0.75 0.51 0.14 0.00 0.00 0.00 0.00 179.25 180.65 1qhw h ARG 48 N 1.10 0.83 -0.77 0.00 3.08 -1.85 -0.33 114.38 116.43 1qhw h ARG 48 Ca 0.28 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1qhw h ARG 48 Cb -0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1qhw h ARG 48 CO -0.05 0.78 0.34 1.49 -1.07 0.00 0.00 179.97 181.46 1qhw h GLU 49 N 0.73 1.13 -0.21 0.04 4.81 -1.56 -0.97 114.58 118.56 1qhw h GLU 49 Ca 0.17 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1qhw h GLU 49 Cb 0.32 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1qhw h GLU 49 CO -0.00 0.89 -0.55 0.52 -0.73 0.00 0.00 179.01 179.14 1qhw h MET 50 N 1.11 0.63 -0.58 1.92 2.86 -1.18 -1.52 114.93 118.16 1qhw h MET 50 Ca 0.26 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1qhw h MET 50 Cb 0.16 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1qhw h MET 50 CO -0.03 1.01 0.08 0.00 1.06 0.00 0.00 176.91 179.04 1qhw h ALA 51 N 0.91 0.78 -0.29 6.32 0.00 -0.68 -1.14 119.26 125.15 1qhw h ALA 51 Ca 0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1qhw h ALA 51 Cb 1.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1qhw h ALA 51 CO 0.11 0.54 -0.32 -0.91 0.00 0.00 0.00 179.25 178.67 1qhw h ASN 52 N 0.87 0.63 -0.57 0.00 2.35 -1.11 -1.92 115.58 115.83 1qhw h ASN 52 Ca 0.18 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1qhw h ASN 52 Cb 0.44 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1qhw h ASN 52 CO 0.01 0.91 0.16 0.00 -1.65 0.00 0.00 177.43 176.87 1qhw h ALA 53 N 1.13 0.75 -0.03 -0.83 0.00 -1.00 0.05 119.26 119.33 1qhw h ALA 53 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qhw h ALA 53 Cb 0.81 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1qhw h ALA 53 CO 0.07 0.43 0.02 -0.22 0.00 0.00 0.00 179.25 179.54 1qhw h LYS 54 N 0.81 0.04 0.00 0.00 3.64 -1.01 -1.88 116.57 118.17 1qhw h LYS 54 Ca 0.18 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1qhw h LYS 54 Cb 0.31 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1qhw h LYS 54 CO -0.00 0.09 -0.27 1.49 -2.27 0.00 0.00 179.45 178.49 1qhw h GLU 55 N -0.02 0.00 -0.50 1.90 4.57 -1.23 -1.60 114.58 117.69 1qhw h GLU 55 Ca 0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1qhw h GLU 55 Cb 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1qhw h GLU 55 CO -0.00 0.27 -0.17 0.82 -1.18 0.00 0.00 179.01 178.75 1qhw h ILE 56 N 0.00 1.27 -0.48 2.32 1.08 -0.64 -1.27 117.51 119.79 1qhw h ILE 56 Ca -0.00 -1.32 -0.05 0.00 -0.39 0.00 0.00 64.86 63.09 1qhw h ILE 56 Cb 0.64 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 1qhw h ILE 56 CO 0.03 0.46 0.10 0.00 -0.69 0.00 0.00 178.15 178.05 1qhw h ALA 57 N 0.93 0.64 -0.43 1.87 0.00 -0.58 -1.38 119.26 120.31 1qhw h ALA 57 Ca 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1qhw h ALA 57 Cb 0.73 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1qhw h ALA 57 CO 0.06 0.34 -0.00 0.00 0.00 0.00 0.00 179.25 179.65 1qhw h ARG 58 N 0.66 0.71 -0.24 0.00 3.08 -1.18 -0.52 114.38 116.89 1qhw h ARG 58 Ca 0.15 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1qhw h ARG 58 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1qhw h ARG 58 CO 0.01 0.72 0.03 1.15 -1.07 0.00 0.00 179.97 180.81 1qhw h THR 59 N 0.66 1.23 -0.71 2.04 2.02 -1.00 -2.72 112.91 114.44 1qhw h THR 59 Ca 0.13 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1qhw h THR 59 Cb 0.42 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1qhw h THR 59 CO 0.02 0.25 0.40 0.58 0.37 0.00 0.00 175.52 177.13 1qhw h VAL 60 N 0.20 1.21 -0.02 3.16 2.07 -0.97 0.14 116.25 122.04 1qhw h VAL 60 Ca 0.07 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1qhw h VAL 60 Cb 0.34 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1qhw h VAL 60 CO 0.01 0.23 0.02 1.56 0.02 0.00 0.00 177.57 179.41 1qhw h GLN 61 N 0.97 0.00 0.00 1.57 4.20 -0.95 0.45 115.11 121.36 1qhw h GLN 61 Ca 0.25 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.59 1qhw h GLN 61 Cb 0.02 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1qhw h GLN 61 CO -0.04 0.00 -2.02 -0.89 -0.67 0.00 0.00 178.83 175.20 1qhw n ILE 62 N -4.09 1.53 -0.03 2.54 5.41 -0.86 -4.71 119.36 119.15 1qhw n ILE 62 Ca -0.03 -0.24 0.05 0.00 1.00 0.00 0.00 62.75 63.54 1qhw n ILE 62 Cb 0.11 -1.95 -0.17 0.00 -0.71 0.00 0.00 39.64 36.92 1qhw n ILE 62 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1qhw n MET 63 N -4.33 0.67 0.00 0.38 2.81 0.42 -5.11 117.12 111.96 1qhw n MET 63 Ca -0.46 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.29 1qhw n MET 63 Cb 0.80 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 1qhw n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qhw n GLY 64 N 1.39 -1.90 3.63 3.03 0.00 0.16 -5.01 105.19 106.50 1qhw n GLY 64 Ca -0.12 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 1qhw n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhw s ALA 65 N -2.12 -1.84 0.02 4.61 0.00 -1.26 -4.71 121.76 116.47 1qhw s ALA 65 Ca 0.00 1.98 0.07 0.00 0.00 0.00 0.00 51.96 54.01 1qhw s ALA 65 Cb 0.00 -1.25 -0.23 0.00 0.00 0.00 0.00 23.12 21.64 1qhw s ALA 65 CO 0.00 -0.31 0.92 -0.44 0.00 0.00 0.00 175.76 175.93 1qhw h ASP 66 N 4.74 0.09 -5.33 0.00 5.19 -1.26 -3.49 116.42 116.36 1qhw h ASP 66 Ca -0.29 -0.13 0.21 0.00 -0.62 0.00 0.00 57.03 56.20 1qhw h ASP 66 Cb 1.16 -0.03 -0.10 0.00 0.18 0.00 0.00 39.33 40.54 1qhw h ASP 66 CO 0.07 1.11 0.58 0.72 -3.12 0.00 0.00 179.24 178.60 1qhw s PHE 67 N -2.64 -0.13 -0.06 4.55 -0.12 -1.20 -4.35 117.98 114.03 1qhw s PHE 67 Ca -0.04 -0.10 0.06 0.00 -0.05 0.00 0.00 56.93 56.79 1qhw s PHE 67 Cb 0.08 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 43.06 1qhw s PHE 67 CO 0.83 -0.64 -0.23 0.42 -0.05 0.00 0.00 175.22 175.54 1qhw s ILE 68 N -3.03 2.20 -0.13 -4.49 1.01 0.23 -2.47 121.20 114.52 1qhw s ILE 68 Ca 0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1qhw s ILE 68 Cb 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1qhw s ILE 68 CO -0.01 0.57 -0.02 -0.32 0.00 0.00 0.00 174.94 175.16 1qhw s MET 69 N -0.20 3.41 -0.17 2.79 -2.45 0.98 -1.08 119.30 122.59 1qhw s MET 69 Ca -0.02 -0.48 -0.06 0.00 -1.25 0.00 0.00 55.69 53.88 1qhw s MET 69 Cb -0.13 -2.87 -0.04 0.00 1.25 0.00 0.00 34.83 33.04 1qhw s MET 69 CO 0.03 0.42 0.02 0.45 1.05 0.00 0.00 175.02 177.00 1qhw s SER 70 N -0.11 5.33 -0.42 1.11 0.15 -0.63 -1.97 113.70 117.15 1qhw s SER 70 Ca 0.03 0.02 0.05 0.00 0.70 0.00 0.00 55.95 56.75 1qhw s SER 70 Cb -0.13 -1.88 0.68 0.00 -1.71 0.00 0.00 66.02 62.99 1qhw s SER 70 CO 0.02 0.19 1.89 0.18 1.20 0.00 0.00 173.24 176.72 1qhw n LEU 71 N 3.44 6.56 0.00 3.45 4.77 -0.67 -3.40 117.00 131.15 1qhw n LEU 71 Ca -0.17 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.28 1qhw n LEU 71 Cb 0.52 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1qhw n LEU 71 CO 0.34 1.01 0.00 0.61 -1.33 0.00 0.00 177.39 178.02 1qhw n GLY 72 N -0.94 1.54 2.93 -0.72 0.00 -1.22 -4.26 105.19 102.52 1qhw n GLY 72 Ca 0.55 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 1qhw n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qhw n ASP 73 N -0.17 -5.82 0.10 1.61 8.00 -1.26 -0.70 116.55 118.31 1qhw n ASP 73 Ca 0.00 -0.58 -0.04 0.00 0.71 0.00 0.00 54.79 54.89 1qhw n ASP 73 Cb 0.00 -4.36 0.03 0.00 -0.02 0.00 0.00 41.12 36.77 1qhw n ASP 73 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1qhw h ASN 74 N -0.88 0.00 -2.65 -2.24 2.35 -1.93 -2.42 115.58 107.82 1qhw h ASN 74 Ca -0.50 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 54.88 1qhw h ASN 74 Cb 1.25 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 39.25 1qhw h ASN 74 CO 0.36 0.79 -0.67 -0.36 -1.65 0.00 0.00 177.43 175.89 1qhw s PHE 75 N -3.16 -0.12 0.21 1.19 0.08 -1.26 -3.65 117.98 111.27 1qhw s PHE 75 Ca 0.00 -0.06 -0.21 0.00 0.12 0.00 0.00 56.93 56.78 1qhw s PHE 75 Cb 0.11 -0.51 -0.08 0.00 -0.57 0.00 0.00 43.02 41.97 1qhw s PHE 75 CO 0.79 -0.63 0.75 0.71 -0.10 0.00 0.00 175.22 176.73 1qhw s TYR 76 N 2.26 3.72 -1.22 0.36 2.02 -0.56 -1.12 117.35 122.81 1qhw s TYR 76 Ca 0.06 1.47 0.11 0.00 -0.37 0.00 0.00 57.07 58.34 1qhw s TYR 76 Cb -0.16 -2.67 0.18 0.00 -0.40 0.00 0.00 41.96 38.91 1qhw s TYR 76 CO -0.16 0.38 1.02 1.19 -1.57 0.00 0.00 175.55 176.41 1qhw n PHE 77 N 0.95 0.19 -2.25 2.71 3.72 -1.26 -3.11 117.46 118.41 1qhw n PHE 77 Ca -0.03 -0.20 0.02 0.00 -0.05 0.00 0.00 57.45 57.19 1qhw n PHE 77 Cb 0.50 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 39.11 1qhw n PHE 77 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1qhw n THR 78 N 0.59 0.96 -4.98 4.37 -1.04 -1.24 -4.78 114.28 108.16 1qhw n THR 78 Ca 0.09 -2.10 0.00 0.00 -2.04 0.00 0.00 64.05 60.00 1qhw n THR 78 Cb 0.34 0.54 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 1qhw n THR 78 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qhw n GLY 79 N -0.18 0.97 3.55 3.41 0.00 -0.28 -3.12 105.19 109.54 1qhw n GLY 79 Ca 0.12 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1qhw n GLY 79 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qhw s VAL 80 N 0.00 3.02 -0.05 1.61 -7.23 -1.26 -4.85 120.40 111.63 1qhw s VAL 80 Ca 0.00 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.13 1qhw s VAL 80 Cb 0.00 -2.51 -0.31 0.00 0.56 0.00 0.00 36.38 34.12 1qhw s VAL 80 CO 0.00 -0.17 0.86 0.45 -0.31 0.00 0.00 175.10 175.93 1qhw h HIS 81 N 2.76 0.55 -3.66 2.82 -0.00 -1.88 -0.93 115.15 114.81 1qhw h HIS 81 Ca -0.46 -0.40 -0.20 0.00 -0.00 0.00 0.00 60.37 59.31 1qhw h HIS 81 Cb 1.22 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 28.56 1qhw h HIS 81 CO 0.68 1.34 -0.03 -0.40 -0.00 0.00 0.00 177.93 179.52 1qhw n ASP 82 N -4.09 -1.55 0.00 2.45 5.68 -1.26 -4.63 116.55 113.15 1qhw n ASP 82 Ca -0.15 -2.74 0.09 0.00 -0.50 0.00 0.00 54.79 51.50 1qhw n ASP 82 Cb 0.84 2.77 0.46 0.00 -1.14 0.00 0.00 41.12 44.05 1qhw n ASP 82 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qhw n ALA 83 N -0.76 1.97 0.39 2.12 0.00 -1.26 -2.54 120.51 120.43 1qhw n ALA 83 Ca -0.14 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.31 1qhw n ALA 83 Cb 0.56 -1.32 0.15 0.00 0.00 0.00 0.00 19.45 18.84 1qhw n ALA 83 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qhw n ASN 84 N -1.38 2.95 -4.61 0.00 3.02 -1.26 -4.86 115.26 109.12 1qhw n ASN 84 Ca 0.07 -1.87 -0.48 0.00 -0.03 0.00 0.00 54.58 52.28 1qhw n ASN 84 Cb 0.19 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 1qhw n ASN 84 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1qhw n ASP 85 N 1.13 1.96 0.30 6.41 -0.08 -1.05 -4.86 116.55 120.35 1qhw n ASP 85 Ca 0.14 1.13 0.18 0.00 -1.51 0.00 0.00 54.79 54.74 1qhw n ASP 85 Cb 0.50 -1.29 0.96 0.00 2.34 0.00 0.00 41.12 43.63 1qhw n ASP 85 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1qhw h LYS 86 N 4.10 0.00 -0.19 -0.67 2.10 -1.94 -2.86 116.57 117.10 1qhw h LYS 86 Ca -0.45 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.23 1qhw h LYS 86 Cb 1.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.64 1qhw h LYS 86 CO 0.75 0.03 0.13 0.00 -2.00 0.00 0.00 179.45 178.36 1qhw h ARG 87 N 0.00 0.14 -0.87 0.07 2.47 -1.97 -1.11 114.38 113.12 1qhw h ARG 87 Ca -0.00 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1qhw h ARG 87 Cb 0.18 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 1qhw h ARG 87 CO 0.00 0.09 0.57 0.74 0.56 0.00 0.00 179.97 181.94 1qhw h PHE 88 N 0.15 1.07 0.22 3.04 0.04 -1.88 0.52 116.94 120.09 1qhw h PHE 88 Ca 0.08 0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.59 1qhw h PHE 88 Cb 0.14 -0.36 0.03 0.00 2.20 0.00 0.00 35.95 37.96 1qhw h PHE 88 CO -0.00 0.65 -1.29 1.96 -0.60 0.00 0.00 178.31 179.03 1qhw h GLN 89 N 1.13 0.46 0.10 1.51 7.50 -1.62 -0.91 115.11 123.28 1qhw h GLN 89 Ca 0.33 -0.78 -0.26 0.00 0.50 0.00 0.00 58.65 58.44 1qhw h GLN 89 Cb -0.07 0.29 -0.00 0.00 0.05 0.00 0.00 27.48 27.75 1qhw h GLN 89 CO -0.09 1.37 -1.18 0.93 -1.50 0.00 0.00 178.83 178.36 1qhw h GLU 90 N -0.03 0.24 0.01 1.46 4.39 -1.08 0.15 114.58 119.72 1qhw h GLU 90 Ca -0.23 -0.40 -0.34 0.00 0.34 0.00 0.00 59.36 58.74 1qhw h GLU 90 Cb 2.00 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 30.73 1qhw h GLU 90 CO 0.23 1.17 -2.09 2.41 -1.16 0.00 0.00 179.01 179.58 1qhw n THR 91 N -3.53 1.51 0.00 1.13 -1.04 0.18 -4.53 114.28 108.01 1qhw n THR 91 Ca -0.07 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.14 1qhw n THR 91 Cb 0.99 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1qhw n THR 91 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1qhw n PHE 92 N -2.95 0.00 -0.23 -1.42 7.35 -1.11 -4.50 117.46 114.60 1qhw n PHE 92 Ca -0.27 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.40 1qhw n PHE 92 Cb 1.10 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.97 1qhw n PHE 92 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1qhw h GLU 93 N 0.00 -0.07 0.00 -4.13 4.39 -1.21 -1.56 114.58 112.00 1qhw h GLU 93 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qhw h GLU 93 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1qhw h GLU 93 CO 0.00 -0.05 0.00 -0.44 -1.16 0.00 0.00 179.01 177.36 1qhw h ASP 94 N -0.07 0.00 0.01 1.42 3.32 -1.23 -3.23 116.42 116.63 1qhw h ASP 94 Ca 0.30 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 1qhw h ASP 94 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1qhw h ASP 94 CO -0.72 0.00 -0.26 0.58 -1.72 0.00 0.00 179.24 177.12 1qhw h VAL 95 N 0.00 1.63 -1.54 -1.35 2.07 -1.54 -3.34 116.25 112.18 1qhw h VAL 95 Ca 0.00 -2.33 -0.74 0.00 0.82 0.00 0.00 66.70 64.45 1qhw h VAL 95 Cb 0.67 3.19 -0.18 0.00 -1.52 0.00 0.00 31.29 33.44 1qhw h VAL 95 CO 0.00 0.56 1.72 0.49 0.02 0.00 0.00 177.57 180.37 1qhw n PHE 96 N -4.56 2.58 0.32 1.57 3.72 -0.75 -4.61 117.46 115.73 1qhw n PHE 96 Ca -0.14 -2.63 0.11 0.00 -0.05 0.00 0.00 57.45 54.74 1qhw n PHE 96 Cb 0.53 -1.56 0.19 0.00 -0.94 0.00 0.00 39.48 37.71 1qhw n PHE 96 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1qhw n SER 97 N 0.96 3.31 -4.76 4.37 3.41 -1.22 -4.83 113.62 114.86 1qhw n SER 97 Ca 0.56 -1.96 -0.38 0.00 -0.26 0.00 0.00 58.87 56.83 1qhw n SER 97 Cb 0.28 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1qhw n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qhw s ASP 98 N -1.44 5.59 0.36 4.04 -1.08 -1.26 -4.88 116.67 118.00 1qhw s ASP 98 Ca 0.35 2.64 0.11 0.00 -0.52 0.00 0.00 52.55 55.13 1qhw s ASP 98 Cb 0.21 -2.63 0.89 0.00 -1.46 0.00 0.00 42.92 39.93 1qhw s ASP 98 CO 0.29 -1.34 1.84 -0.09 0.52 0.00 0.00 175.17 176.39 1qhw h ARG 99 N 1.71 0.59 0.00 4.34 2.43 -1.98 -0.27 114.38 121.21 1qhw h ARG 99 Ca -0.50 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.56 1qhw h ARG 99 Cb 1.28 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1qhw h ARG 99 CO 0.58 0.39 -0.33 0.00 -1.51 0.00 0.00 179.97 179.10 1qhw h ALA 100 N 1.61 1.39 0.00 2.80 0.00 -1.91 -2.81 119.26 120.34 1qhw h ALA 100 Ca 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qhw h ALA 100 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qhw h ALA 100 CO -0.24 0.42 -0.27 1.28 0.00 0.00 0.00 179.25 180.44 1qhw n LEU 101 N -4.06 0.32 -4.76 0.00 4.77 -0.13 -4.86 117.00 108.28 1qhw n LEU 101 Ca -0.02 0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.81 1qhw n LEU 101 Cb 0.38 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1qhw n LEU 101 CO 0.38 0.04 1.20 -0.13 -1.33 0.00 0.00 177.39 177.55 1qhw s ARG 102 N -3.02 4.14 0.00 3.23 3.00 -1.06 -2.43 118.95 122.82 1qhw s ARG 102 Ca 0.12 2.53 0.00 0.00 0.00 0.00 0.00 55.73 58.38 1qhw s ARG 102 Cb 0.18 -3.03 0.00 0.00 0.00 0.00 0.00 34.95 32.10 1qhw s ARG 102 CO 0.62 -0.57 0.00 0.09 0.00 0.00 0.00 175.30 175.44 1qhw n ASN 103 N 1.83 0.00 -4.66 0.23 4.13 -1.26 -5.00 115.26 110.53 1qhw n ASN 103 Ca 0.06 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.91 1qhw n ASN 103 Cb 0.38 -0.37 -0.05 0.00 -1.54 0.00 0.00 39.78 38.20 1qhw n ASN 103 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1qhw s ILE 104 N -3.38 4.93 0.38 2.41 1.01 -1.02 -5.02 121.20 120.52 1qhw s ILE 104 Ca 0.00 1.40 -0.27 0.00 0.00 0.00 0.00 60.65 61.78 1qhw s ILE 104 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1qhw s ILE 104 CO 0.00 0.04 1.32 -2.84 0.00 0.00 0.00 174.94 173.46 1qhw s PRO 105 N 2.25 4.08 -0.09 2.79 0.02 -1.26 -4.82 135.00 137.97 1qhw s PRO 105 Ca 0.33 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.59 1qhw s PRO 105 Cb -0.16 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 1qhw s PRO 105 CO 0.10 -0.42 -0.17 -1.58 -0.33 0.00 0.00 177.00 174.60 1qhw s TRP 106 N -1.22 2.68 -0.25 6.54 0.52 0.62 -0.60 118.94 127.24 1qhw s TRP 106 Ca 0.54 -0.52 -0.02 0.00 0.02 0.00 0.00 56.10 56.12 1qhw s TRP 106 Cb -0.39 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.24 1qhw s TRP 106 CO 0.51 -0.09 -0.06 0.71 0.02 0.00 0.00 176.95 178.05 1qhw s TYR 107 N -0.12 3.05 0.18 -1.98 2.02 -0.24 -1.35 117.35 118.91 1qhw s TYR 107 Ca -0.02 -1.46 0.05 0.00 -0.37 0.00 0.00 57.07 55.27 1qhw s TYR 107 Cb -0.14 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 1qhw s TYR 107 CO 0.04 -0.70 0.19 0.08 -1.57 0.00 0.00 175.55 173.58 1qhw s VAL 108 N 1.35 4.68 0.04 0.71 1.01 -0.74 -1.61 120.40 125.84 1qhw s VAL 108 Ca 0.01 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 1qhw s VAL 108 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1qhw s VAL 108 CO -0.04 -0.16 0.03 -0.22 0.00 0.00 0.00 175.10 174.71 1qhw s LEU 109 N -3.30 2.14 -0.01 3.92 0.20 -1.22 -4.75 118.68 115.66 1qhw s LEU 109 Ca 0.32 -0.73 -0.04 0.00 0.69 0.00 0.00 54.13 54.37 1qhw s LEU 109 Cb -0.10 0.37 -0.04 0.00 -0.43 0.00 0.00 46.19 45.99 1qhw s LEU 109 CO 0.25 -0.52 0.20 0.00 -0.29 0.00 0.00 176.35 175.99 1qhw s ALA 110 N -3.03 3.92 0.37 5.97 0.00 -1.26 -3.41 121.76 124.32 1qhw s ALA 110 Ca -0.01 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1qhw s ALA 110 Cb 0.01 -1.94 0.04 0.00 0.00 0.00 0.00 23.12 21.23 1qhw s ALA 110 CO -0.07 0.71 0.30 0.41 0.00 0.00 0.00 175.76 177.11 1qhw n GLY 111 N 1.07 2.77 0.28 0.00 0.00 -1.26 -4.52 105.19 103.52 1qhw n GLY 111 Ca -0.12 -2.25 -0.04 0.00 0.00 0.00 0.00 46.02 43.61 1qhw n GLY 111 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qhw h ASN 112 N 0.40 0.69 0.55 1.61 -1.07 -1.97 -2.81 115.58 112.99 1qhw h ASN 112 Ca -0.23 -0.17 -0.09 0.00 0.07 0.00 0.00 56.30 55.87 1qhw h ASN 112 Cb 0.85 -0.18 -0.01 0.00 -2.07 0.00 0.00 38.32 36.90 1qhw h ASN 112 CO 0.36 0.79 -0.45 0.45 0.07 0.00 0.00 177.43 178.65 1qhw h HIS 113 N 0.66 0.00 -0.16 4.14 3.86 -1.91 -2.53 115.15 119.21 1qhw h HIS 113 Ca 0.13 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.22 1qhw h HIS 113 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1qhw h HIS 113 CO 0.02 0.45 -0.39 -0.44 0.86 0.00 0.00 177.93 178.43 1qhw h ASP 114 N 0.00 0.36 0.39 2.45 3.32 -1.75 -2.01 116.42 119.18 1qhw h ASP 114 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1qhw h ASP 114 Cb 0.84 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1qhw h ASP 114 CO 0.06 0.72 0.00 1.41 -1.72 0.00 0.00 179.24 179.71 1qhw n HIS 115 N -4.04 0.00 1.15 4.55 8.25 -0.96 -1.83 115.22 122.33 1qhw n HIS 115 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 1qhw n HIS 115 Cb 0.48 -0.25 0.43 0.00 1.12 0.00 0.00 29.99 31.77 1qhw n HIS 115 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qhw n LEU 116 N -1.25 0.51 0.00 2.41 4.77 -0.99 -4.85 117.00 117.60 1qhw n LEU 116 Ca 0.12 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1qhw n LEU 116 Cb 0.18 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1qhw n LEU 116 CO 0.18 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1qhw n GLY 117 N 1.42 4.91 3.40 -0.72 0.00 -0.76 -4.84 105.19 108.59 1qhw n GLY 117 Ca 0.09 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1qhw n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qhw s ASN 118 N 0.87 6.06 0.23 1.61 3.84 -0.35 -4.93 114.94 122.27 1qhw s ASN 118 Ca 0.00 -1.20 0.13 0.00 0.21 0.00 0.00 52.86 52.00 1qhw s ASN 118 Cb 0.00 -2.15 0.03 0.00 -0.55 0.00 0.00 41.25 38.58 1qhw s ASN 118 CO 0.00 -0.56 1.42 -0.37 -2.79 0.00 0.00 177.10 174.80 1qhw h VAL 119 N 5.76 1.16 -0.25 -5.21 -1.51 -1.87 -3.12 116.25 111.21 1qhw h VAL 119 Ca -0.27 -2.56 -0.03 0.00 -1.23 0.00 0.00 66.70 62.61 1qhw h VAL 119 Cb 1.11 2.52 -0.01 0.00 -2.13 0.00 0.00 31.29 32.78 1qhw h VAL 119 CO 0.81 0.64 0.04 0.28 -1.23 0.00 0.00 177.57 178.11 1qhw h SER 120 N 0.00 0.32 -0.24 4.19 0.02 -1.96 -1.72 113.55 114.17 1qhw h SER 120 Ca -0.01 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1qhw h SER 120 Cb 1.47 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 1qhw h SER 120 CO 0.09 0.36 -0.18 0.00 -1.14 0.00 0.00 176.83 175.95 1qhw h ALA 121 N 1.69 1.01 0.00 3.77 0.00 -1.89 0.40 119.26 124.23 1qhw h ALA 121 Ca 0.08 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1qhw h ALA 121 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qhw h ALA 121 CO 0.00 0.59 -0.46 1.96 0.00 0.00 0.00 179.25 181.34 1qhw h GLN 122 N 0.61 0.00 0.01 0.00 4.20 -1.39 -0.86 115.11 117.67 1qhw h GLN 122 Ca 0.10 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.58 1qhw h GLN 122 Cb 0.64 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.44 1qhw h GLN 122 CO 0.05 0.46 -0.89 0.82 -0.67 0.00 0.00 178.83 178.59 1qhw h ILE 123 N 0.00 1.34 0.00 2.54 2.04 -0.95 -3.24 117.51 119.23 1qhw h ILE 123 Ca -0.00 -2.20 -0.05 0.00 1.00 0.00 0.00 64.86 63.61 1qhw h ILE 123 Cb 0.91 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 1qhw h ILE 123 CO 0.06 0.66 -0.24 0.00 0.00 0.00 0.00 178.15 178.64 1qhw h ALA 124 N 0.36 1.13 0.00 1.87 0.00 -0.73 -2.64 119.26 119.24 1qhw h ALA 124 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1qhw h ALA 124 Cb 1.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1qhw h ALA 124 CO 0.17 0.29 0.00 -0.92 0.00 0.00 0.00 179.25 178.80 1qhw h TYR 125 N 0.00 0.00 0.00 0.00 3.20 -1.18 -1.86 116.97 117.13 1qhw h TYR 125 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1qhw h TYR 125 Cb 0.63 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1qhw h TYR 125 CO 0.00 0.00 0.00 0.77 -1.64 0.00 0.00 178.16 177.29 1qhw h SER 126 N 0.00 0.00 0.11 -2.11 0.02 -1.62 -0.43 113.55 109.53 1qhw h SER 126 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qhw h SER 126 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1qhw h SER 126 CO 0.00 0.00 -0.33 0.29 -1.14 0.00 0.00 176.83 175.65 1qhw n LYS 127 N -3.07 1.08 -0.10 3.45 5.02 -0.70 -4.19 118.16 119.64 1qhw n LYS 127 Ca -0.02 -0.77 -0.14 0.00 -2.02 0.00 0.00 58.31 55.37 1qhw n LYS 127 Cb 0.14 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 1qhw n LYS 127 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1qhw n ILE 128 N -0.29 1.23 -4.71 -0.18 5.41 -0.27 -4.94 119.36 115.61 1qhw n ILE 128 Ca 0.11 -0.54 -0.33 0.00 1.00 0.00 0.00 62.75 63.00 1qhw n ILE 128 Cb 0.41 -1.11 -0.15 0.00 -0.71 0.00 0.00 39.64 38.08 1qhw n ILE 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1qhw s SER 129 N -5.88 3.73 0.16 4.38 0.15 -0.61 -5.03 113.70 110.59 1qhw s SER 129 Ca -0.25 -0.42 -0.14 0.00 0.70 0.00 0.00 55.95 55.83 1qhw s SER 129 Cb 0.07 -1.56 0.04 0.00 -1.71 0.00 0.00 66.02 62.85 1qhw s SER 129 CO 0.55 0.13 1.75 0.11 1.20 0.00 0.00 173.24 176.97 1qhw h LYS 130 N 7.00 0.69 0.00 5.44 1.57 -1.89 -3.06 116.57 126.32 1qhw h LYS 130 Ca -0.28 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.31 1qhw h LYS 130 Cb 1.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1qhw h LYS 130 CO 0.55 0.57 -0.47 0.07 -0.57 0.00 0.00 179.45 179.60 1qhw h ARG 131 N 0.64 0.00 -6.49 3.15 0.11 -1.93 -3.43 114.38 106.43 1qhw h ARG 131 Ca 0.17 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.68 1qhw h ARG 131 Cb 0.09 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.11 1qhw h ARG 131 CO -0.02 0.47 0.92 -0.46 0.10 0.00 0.00 179.97 180.97 1qhw s TRP 132 N -3.96 2.87 -0.30 4.08 -0.11 -1.16 -0.27 118.94 120.10 1qhw s TRP 132 Ca -0.02 0.91 0.03 0.00 1.22 0.00 0.00 56.10 58.24 1qhw s TRP 132 Cb 0.14 -4.07 0.08 0.00 -1.50 0.00 0.00 33.47 28.11 1qhw s TRP 132 CO 0.74 -1.24 -0.02 -0.80 -4.62 0.00 0.00 176.95 171.01 1qhw s ASN 133 N 2.37 4.51 -0.42 5.86 0.01 -0.46 -4.31 114.94 122.50 1qhw s ASN 133 Ca 0.50 -1.73 0.06 0.00 -0.71 0.00 0.00 52.86 50.98 1qhw s ASN 133 Cb -0.11 -1.51 0.21 0.00 0.41 0.00 0.00 41.25 40.24 1qhw s ASN 133 CO 0.25 -0.29 0.50 0.33 -1.51 0.00 0.00 177.10 176.38 1qhw n PHE 134 N 4.39 -1.25 0.27 2.20 -0.00 -1.26 -1.79 117.46 120.02 1qhw n PHE 134 Ca -0.05 -3.05 0.12 0.00 -0.00 0.00 0.00 57.45 54.47 1qhw n PHE 134 Cb 0.42 0.28 0.77 0.00 -0.00 0.00 0.00 39.48 40.96 1qhw n PHE 134 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1qhw h PRO 135 N 4.78 0.00 -1.64 -7.13 0.13 -1.90 -3.39 132.00 122.84 1qhw h PRO 135 Ca 0.13 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.58 1qhw h PRO 135 Cb 0.93 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.95 1qhw h PRO 135 CO 0.36 0.06 0.83 -1.54 -0.23 0.00 0.00 178.00 177.48 1qhw s SER 136 N -6.40 -0.05 0.27 1.44 1.04 -1.26 -5.04 113.70 103.71 1qhw s SER 136 Ca -0.04 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1qhw s SER 136 Cb 0.15 0.18 0.62 0.00 0.10 0.00 0.00 66.02 67.07 1qhw s SER 136 CO 0.59 -0.34 1.70 -0.65 0.98 0.00 0.00 173.24 175.53 1qhw h PRO 137 N 2.00 0.37 -3.46 4.02 0.11 -1.96 -3.42 132.00 129.66 1qhw h PRO 137 Ca -0.29 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.63 1qhw h PRO 137 Cb 1.20 -0.08 -0.24 0.00 0.11 0.00 0.00 31.00 31.99 1qhw h PRO 137 CO 0.29 0.24 -0.53 1.52 -0.21 0.00 0.00 178.00 179.31 1qhw s TYR 138 N -5.95 -0.06 0.29 0.65 -0.85 -1.26 -3.95 117.35 106.22 1qhw s TYR 138 Ca -0.12 0.14 -0.20 0.00 -0.52 0.00 0.00 57.07 56.37 1qhw s TYR 138 Cb 0.24 0.00 0.04 0.00 0.38 0.00 0.00 41.96 42.61 1qhw s TYR 138 CO 0.77 -0.17 0.77 1.52 -1.52 0.00 0.00 175.55 176.93 1qhw s TYR 139 N -0.58 -0.09 -0.02 -3.49 1.13 -0.75 -5.02 117.35 108.53 1qhw s TYR 139 Ca -0.07 -0.41 0.01 0.00 -1.41 0.00 0.00 57.07 55.19 1qhw s TYR 139 Cb -0.04 0.74 -0.04 0.00 -1.10 0.00 0.00 41.96 41.52 1qhw s TYR 139 CO 0.01 -1.28 0.00 0.50 -2.51 0.00 0.00 175.55 172.27 1qhw s ARG 140 N -3.38 2.84 0.01 -3.49 3.52 -1.26 -1.15 118.95 116.04 1qhw s ARG 140 Ca 0.13 -0.56 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1qhw s ARG 140 Cb -0.05 -2.70 -0.02 0.00 -1.56 0.00 0.00 34.95 30.62 1qhw s ARG 140 CO 0.08 0.65 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.52 1qhw s LEU 141 N -1.38 2.08 -0.11 -0.88 1.43 0.25 -4.99 118.68 115.09 1qhw s LEU 141 Ca 0.18 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1qhw s LEU 141 Cb -0.11 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.24 1qhw s LEU 141 CO 0.08 0.19 -0.01 -0.60 0.23 0.00 0.00 176.35 176.23 1qhw s ARG 142 N -0.69 0.89 0.10 1.70 3.00 -1.26 -1.05 118.95 121.64 1qhw s ARG 142 Ca 0.06 -0.13 0.09 0.00 -1.00 0.00 0.00 55.73 54.75 1qhw s ARG 142 Cb -0.07 -1.42 -0.04 0.00 0.00 0.00 0.00 34.95 33.42 1qhw s ARG 142 CO 0.00 -0.37 -0.20 -0.06 0.00 0.00 0.00 175.30 174.66 1qhw s PHE 143 N 1.86 2.48 -0.24 5.12 0.40 0.21 -4.98 117.98 122.84 1qhw s PHE 143 Ca 0.03 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1qhw s PHE 143 Cb -0.14 -1.36 0.06 0.00 0.51 0.00 0.00 43.02 42.10 1qhw s PHE 143 CO -0.07 0.32 -0.06 0.21 0.70 0.00 0.00 175.22 176.33 1qhw s LYS 144 N -1.88 1.71 0.09 0.44 2.20 -1.26 0.11 119.74 121.15 1qhw s LYS 144 Ca 0.16 -1.07 -0.31 0.00 -0.36 0.00 0.00 55.97 54.39 1qhw s LYS 144 Cb -0.10 -2.64 -0.07 0.00 -1.51 0.00 0.00 37.83 33.50 1qhw s LYS 144 CO 0.07 -0.60 1.31 0.08 -0.36 0.00 0.00 175.35 175.85 1qhw s VAL 145 N 1.34 3.63 0.25 4.02 1.01 -0.48 -4.98 120.40 125.19 1qhw s VAL 145 Ca -0.06 1.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.80 1qhw s VAL 145 Cb -0.19 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.29 1qhw s VAL 145 CO -0.06 0.09 1.03 -2.65 0.00 0.00 0.00 175.10 173.50 1qhw n PRO 146 N 3.97 1.23 0.00 2.72 -0.02 -1.26 -3.54 135.00 138.10 1qhw n PRO 146 Ca 0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1qhw n PRO 146 Cb 0.44 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1qhw n PRO 146 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qhw n ARG 147 N 1.04 0.00 -1.36 -0.52 1.74 -1.26 -4.23 116.66 112.07 1qhw n ARG 147 Ca 0.12 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.83 1qhw n ARG 147 Cb 0.30 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.81 1qhw n ARG 147 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1qhw n SER 148 N 1.41 -0.09 -0.22 0.55 2.88 -1.23 -4.85 113.62 112.06 1qhw n SER 148 Ca 0.00 0.66 0.15 0.00 -1.33 0.00 0.00 58.87 58.35 1qhw n SER 148 Cb 0.00 -1.33 0.73 0.00 -0.75 0.00 0.00 64.21 62.85 1qhw n SER 148 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1qhw n ASN 149 N -1.06 0.71 -4.69 -3.46 3.02 -1.26 -4.66 115.26 103.86 1qhw n ASN 149 Ca 0.12 -1.17 -0.45 0.00 -0.03 0.00 0.00 54.58 53.05 1qhw n ASN 149 Cb 0.49 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.62 1qhw n ASN 149 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1qhw n ILE 150 N -0.48 0.02 -4.54 2.41 2.08 -1.26 -4.92 119.36 112.67 1qhw n ILE 150 Ca 0.21 -0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.25 1qhw n ILE 150 Cb 0.24 -1.69 -0.14 0.00 -0.75 0.00 0.00 39.64 37.30 1qhw n ILE 150 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1qhw s THR 151 N 0.98 1.78 -0.04 1.39 -4.23 -1.26 -1.39 115.64 112.87 1qhw s THR 151 Ca 0.77 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.94 1qhw s THR 151 Cb -0.62 -1.56 0.01 0.00 1.34 0.00 0.00 72.50 71.67 1qhw s THR 151 CO 0.36 0.13 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.80 1qhw s VAL 152 N -0.93 0.82 -0.03 2.29 1.01 0.12 -1.46 120.40 122.22 1qhw s VAL 152 Ca 0.08 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1qhw s VAL 152 Cb -0.09 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1qhw s VAL 152 CO 0.03 0.27 -0.24 0.00 0.00 0.00 0.00 175.10 175.16 1qhw s ALA 153 N 0.47 2.23 -0.05 5.51 0.00 -0.50 0.67 121.76 130.09 1qhw s ALA 153 Ca -0.08 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1qhw s ALA 153 Cb -0.12 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1qhw s ALA 153 CO 0.01 0.52 -0.05 0.42 0.00 0.00 0.00 175.76 176.66 1qhw s ILE 154 N -0.56 0.59 -0.36 0.00 1.01 -0.21 -0.95 121.20 120.72 1qhw s ILE 154 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 1qhw s ILE 154 Cb -0.11 -0.61 0.05 0.00 0.01 0.00 0.00 42.46 41.80 1qhw s ILE 154 CO -0.00 0.24 0.15 -0.36 0.00 0.00 0.00 174.94 174.97 1qhw s PHE 155 N 0.94 3.30 -0.32 3.97 0.40 0.06 -0.58 117.98 125.75 1qhw s PHE 155 Ca -0.11 -1.51 -0.26 0.00 -0.60 0.00 0.00 56.93 54.46 1qhw s PHE 155 Cb -0.14 -2.51 0.01 0.00 0.51 0.00 0.00 43.02 40.89 1qhw s PHE 155 CO 0.00 -0.77 0.93 -1.64 0.70 0.00 0.00 175.22 174.44 1qhw s MET 156 N 1.39 3.97 0.41 0.44 -1.94 -0.30 -1.37 119.30 121.90 1qhw s MET 156 Ca 0.00 0.77 0.08 0.00 -1.71 0.00 0.00 55.69 54.83 1qhw s MET 156 Cb -0.21 -3.75 -0.01 0.00 2.01 0.00 0.00 34.83 32.88 1qhw s MET 156 CO 0.02 -0.82 0.46 -0.51 -0.01 0.00 0.00 175.02 174.16 1qhw s LEU 157 N 3.34 3.57 -0.53 -0.03 1.43 0.68 -1.81 118.68 125.32 1qhw s LEU 157 Ca 0.39 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1qhw s LEU 157 Cb -0.13 -2.39 0.14 0.00 0.03 0.00 0.00 46.19 43.84 1qhw s LEU 157 CO 0.15 -0.66 0.29 -0.62 0.23 0.00 0.00 176.35 175.74 1qhw s ASP 158 N -4.22 4.22 0.48 2.29 -1.08 -1.25 -4.59 116.67 112.51 1qhw s ASP 158 Ca 0.50 -3.06 0.32 0.00 -0.52 0.00 0.00 52.55 49.80 1qhw s ASP 158 Cb -0.07 -1.51 1.59 0.00 -1.46 0.00 0.00 42.92 41.47 1qhw s ASP 158 CO 0.30 -0.22 1.98 0.71 0.52 0.00 0.00 175.17 178.47 1qhw h THR 159 N 5.28 0.00 -0.27 1.71 1.35 -1.92 -2.15 112.91 116.91 1qhw h THR 159 Ca -0.03 -0.18 -0.15 0.00 -0.55 0.00 0.00 66.41 65.50 1qhw h THR 159 Cb 0.88 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1qhw h THR 159 CO 0.65 0.00 -0.46 0.58 -0.25 0.00 0.00 175.52 176.04 1qhw h VAL 160 N 0.00 1.29 0.00 6.82 2.07 -1.85 -0.27 116.25 124.31 1qhw h VAL 160 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1qhw h VAL 160 Cb 0.20 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1qhw h VAL 160 CO 0.00 0.53 0.00 0.24 0.02 0.00 0.00 177.57 178.36 1qhw h MET 161 N 0.56 0.00 0.10 1.57 2.86 -1.70 0.22 114.93 118.54 1qhw h MET 161 Ca 0.03 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.31 1qhw h MET 161 Cb 1.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1qhw h MET 161 CO 0.10 0.00 -2.07 1.28 1.06 0.00 0.00 176.91 177.28 1qhw n LEU 162 N -2.76 2.58 -0.04 1.22 4.77 -1.01 -3.93 117.00 117.84 1qhw n LEU 162 Ca 0.02 0.16 0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1qhw n LEU 162 Cb 0.32 -1.00 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 1qhw n LEU 162 CO 0.26 0.84 0.06 0.00 -1.33 0.00 0.00 177.39 177.22 1qhw n GLY 164 N 0.92 0.55 3.65 0.00 0.00 0.76 -2.53 105.19 108.54 1qhw n GLY 164 Ca 0.01 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1qhw n GLY 164 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qhw s ASN 165 N -0.92 6.59 0.67 1.61 3.84 -1.26 -4.60 114.94 120.86 1qhw s ASN 165 Ca 0.00 0.71 0.42 0.00 0.21 0.00 0.00 52.86 54.21 1qhw s ASN 165 Cb 0.00 -2.32 2.30 0.00 -0.55 0.00 0.00 41.25 40.68 1qhw s ASN 165 CO 0.00 -0.27 2.30 0.77 -2.79 0.00 0.00 177.10 177.11 1qhw h SER 166 N 7.64 0.00 0.89 -4.21 4.64 -1.87 0.23 113.55 120.86 1qhw h SER 166 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1qhw h SER 166 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1qhw h SER 166 CO 0.75 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.18 1qhw n ASP 167 N -3.04 0.00 -0.03 4.97 8.00 -1.26 -3.14 116.55 122.05 1qhw n ASP 167 Ca -0.03 0.40 0.13 0.00 0.71 0.00 0.00 54.79 56.00 1qhw n ASP 167 Cb 0.12 -0.46 0.43 0.00 -0.02 0.00 0.00 41.12 41.19 1qhw n ASP 167 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qhw n ASP 168 N -1.46 0.35 -4.28 -2.24 8.00 0.07 -4.88 116.55 112.10 1qhw n ASP 168 Ca 0.08 -0.07 -0.27 0.00 0.71 0.00 0.00 54.79 55.25 1qhw n ASP 168 Cb 0.31 -0.05 -0.14 0.00 -0.02 0.00 0.00 41.12 41.22 1qhw n ASP 168 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qhw s PHE 169 N -2.91 1.95 0.37 1.24 0.40 -1.19 -5.03 117.98 112.81 1qhw s PHE 169 Ca 0.15 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.15 1qhw s PHE 169 Cb 0.18 -1.16 0.72 0.00 0.51 0.00 0.00 43.02 43.28 1qhw s PHE 169 CO 0.61 0.11 1.96 0.28 0.70 0.00 0.00 175.22 178.88 1qhw h VAL 170 N 4.31 1.16 0.00 -0.44 2.07 -1.90 -1.54 116.25 119.91 1qhw h VAL 170 Ca -0.44 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1qhw h VAL 170 Cb 1.16 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1qhw h VAL 170 CO 0.43 0.19 0.00 0.77 0.02 0.00 0.00 177.57 178.99 1qhw h SER 171 N 0.54 0.00 -0.46 0.57 4.64 -1.96 -3.46 113.55 113.42 1qhw h SER 171 Ca 0.13 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.27 1qhw h SER 171 Cb 0.14 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 1qhw h SER 171 CO -0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.79 1qhw n GLN 172 N -2.54 -0.60 -4.92 4.77 1.13 -0.58 -5.01 117.38 109.63 1qhw n GLN 172 Ca 0.02 0.78 -0.33 0.00 -1.94 0.00 0.00 57.00 55.53 1qhw n GLN 172 Cb 0.27 -4.65 -0.14 0.00 0.11 0.00 0.00 30.24 25.82 1qhw n GLN 172 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1qhw s GLN 173 N -2.83 2.76 -0.85 -1.09 -1.52 -1.26 -4.81 119.66 110.07 1qhw s GLN 173 Ca 0.00 -0.73 -0.25 0.00 -1.95 0.00 0.00 55.36 52.44 1qhw s GLN 173 Cb 0.00 -2.42 -0.03 0.00 -0.22 0.00 0.00 33.01 30.34 1qhw s GLN 173 CO 0.00 0.47 1.85 -2.14 -0.25 0.00 0.00 175.29 175.22 1qhw s PRO 174 N -0.33 2.70 0.04 2.91 0.02 -1.26 -4.71 135.00 134.36 1qhw s PRO 174 Ca 0.03 -0.19 -0.25 0.00 0.02 0.00 0.00 61.00 60.61 1qhw s PRO 174 Cb -0.13 -4.92 -0.17 0.00 0.02 0.00 0.00 34.50 29.30 1qhw s PRO 174 CO 0.02 -3.08 1.48 0.93 -0.33 0.00 0.00 177.00 176.02 1qhw h GLU 175 N 11.87 -0.22 -3.02 5.54 5.08 -1.89 -3.44 114.58 128.49 1qhw h GLU 175 Ca 0.02 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1qhw h GLU 175 Cb 1.04 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.16 1qhw h GLU 175 CO 1.24 0.02 -0.19 0.00 -1.00 0.00 0.00 179.01 179.08 1qhw s MET 176 N -5.30 0.80 0.69 2.33 0.23 -1.05 -4.92 119.30 112.08 1qhw s MET 176 Ca -0.15 -0.29 -0.15 0.00 -1.03 0.00 0.00 55.69 54.08 1qhw s MET 176 Cb 0.04 0.36 0.02 0.00 -1.53 0.00 0.00 34.83 33.71 1qhw s MET 176 CO 0.63 -0.25 1.16 -2.14 -2.03 0.00 0.00 175.02 172.39 1qhw s PRO 177 N -1.95 2.50 0.18 3.16 0.02 -1.22 -3.63 135.00 134.06 1qhw s PRO 177 Ca -0.09 1.59 0.10 0.00 0.02 0.00 0.00 61.00 62.62 1qhw s PRO 177 Cb -0.02 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 1qhw s PRO 177 CO 0.01 -1.52 1.38 -0.09 -0.33 0.00 0.00 177.00 176.44 1qhw h ARG 178 N -0.06 0.00 -3.63 5.54 2.43 -1.86 -3.44 114.38 113.36 1qhw h ARG 178 Ca -0.47 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.30 1qhw h ARG 178 Cb 1.27 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 30.45 1qhw h ARG 178 CO 0.52 0.82 -0.76 0.34 -1.51 0.00 0.00 179.97 179.39 1qhw s ASP 179 N -6.67 1.16 0.09 -3.80 2.15 -1.26 -5.05 116.67 103.30 1qhw s ASP 179 Ca 0.01 -0.03 -0.28 0.00 0.43 0.00 0.00 52.55 52.68 1qhw s ASP 179 Cb 0.10 -0.32 -0.13 0.00 -0.30 0.00 0.00 42.92 42.27 1qhw s ASP 179 CO 0.79 -0.18 1.66 0.25 -0.17 0.00 0.00 175.17 177.52 1qhw h LEU 180 N 8.03 -0.58 -0.85 -1.34 5.85 -1.96 -2.69 115.31 121.77 1qhw h LEU 180 Ca -0.24 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.63 1qhw h LEU 180 Cb 1.13 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 1qhw h LEU 180 CO 0.30 -0.34 0.49 1.23 -0.34 0.00 0.00 178.44 179.78 1qhw h GLY 181 N -0.51 1.34 0.98 3.75 0.00 -1.98 0.52 103.07 107.16 1qhw h GLY 181 Ca -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1qhw h GLY 181 CO -0.02 0.12 0.24 -2.08 0.00 0.00 0.00 176.54 174.81 1qhw h VAL 182 N 0.81 1.14 -0.03 4.60 2.07 -1.89 -0.79 116.25 122.16 1qhw h VAL 182 Ca 0.42 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1qhw h VAL 182 Cb 0.40 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1qhw h VAL 182 CO -0.26 0.14 -0.04 0.00 0.02 0.00 0.00 177.57 177.43 1qhw h ALA 183 N 1.10 0.05 -0.95 1.67 0.00 -1.11 -2.82 119.26 117.19 1qhw h ALA 183 Ca 0.15 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1qhw h ALA 183 Cb 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1qhw h ALA 183 CO -0.03 -0.16 0.62 -0.09 0.00 0.00 0.00 179.25 179.59 1qhw h ARG 184 N -0.40 1.03 -0.29 0.00 1.12 -0.89 -2.22 114.38 112.72 1qhw h ARG 184 Ca 0.00 -0.06 -0.06 0.00 -1.11 0.00 0.00 59.98 58.76 1qhw h ARG 184 Cb 0.57 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 1qhw h ARG 184 CO 0.01 0.68 -0.03 1.15 -3.11 0.00 0.00 179.97 178.66 1qhw h THR 185 N 1.06 1.27 -0.72 0.20 2.02 -1.14 -1.98 112.91 113.62 1qhw h THR 185 Ca 0.43 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1qhw h THR 185 Cb 0.26 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1qhw h THR 185 CO -0.18 0.33 0.28 -0.61 0.37 0.00 0.00 175.52 175.71 1qhw h GLN 186 N 0.31 1.07 -0.48 6.66 4.15 -1.21 0.09 115.11 125.70 1qhw h GLN 186 Ca 0.08 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 1qhw h GLN 186 Cb 0.49 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1qhw h GLN 186 CO 0.02 0.87 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.64 1qhw h LEU 187 N 1.04 0.83 -0.63 -2.39 3.38 -1.37 -0.74 115.31 115.43 1qhw h LEU 187 Ca 0.24 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1qhw h LEU 187 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1qhw h LEU 187 CO -0.02 0.94 -0.45 -1.28 0.09 0.00 0.00 178.44 177.72 1qhw h SER 188 N 0.77 0.59 -0.01 -0.43 0.87 -0.87 -1.79 113.55 112.69 1qhw h SER 188 Ca 0.13 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1qhw h SER 188 Cb 0.57 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1qhw h SER 188 CO 0.03 0.96 0.00 -0.25 -0.53 0.00 0.00 176.83 177.05 1qhw h TRP 189 N 0.45 0.02 -0.72 2.24 7.01 -0.72 -2.49 115.95 121.74 1qhw h TRP 189 Ca 0.03 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1qhw h TRP 189 Cb 0.96 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.98 1qhw h TRP 189 CO 0.04 0.31 0.33 1.25 -2.79 0.00 0.00 178.44 177.57 1qhw h LEU 190 N -0.27 0.96 -0.62 0.65 5.85 -1.10 -1.10 115.31 119.69 1qhw h LEU 190 Ca 0.00 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1qhw h LEU 190 Cb 0.30 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1qhw h LEU 190 CO 0.00 0.84 0.27 0.50 -0.34 0.00 0.00 178.44 179.71 1qhw h LYS 191 N 1.02 0.92 -0.07 1.25 3.64 -1.33 0.48 116.57 122.47 1qhw h LYS 191 Ca 0.25 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 1qhw h LYS 191 Cb 0.15 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1qhw h LYS 191 CO -0.03 0.76 -0.55 0.87 -2.27 0.00 0.00 179.45 178.23 1qhw h LYS 192 N 0.86 0.20 -0.27 1.90 1.57 -1.25 -1.49 116.57 118.09 1qhw h LYS 192 Ca 0.21 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 1qhw h LYS 192 Cb 0.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1qhw h LYS 192 CO -0.02 0.70 -0.57 1.96 -0.57 0.00 0.00 179.45 180.95 1qhw h GLN 193 N 0.15 0.86 -0.04 3.15 1.08 -0.89 -3.14 115.11 116.28 1qhw h GLN 193 Ca -0.00 -0.56 -0.12 0.00 -1.45 0.00 0.00 58.65 56.52 1qhw h GLN 193 Cb 1.02 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1qhw h GLN 193 CO 0.08 1.19 -0.53 -0.07 -0.95 0.00 0.00 178.83 178.55 1qhw h LEU 194 N 0.65 0.11 -3.54 1.46 3.38 -0.82 -2.37 115.31 114.18 1qhw h LEU 194 Ca 0.01 -0.06 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 1qhw h LEU 194 Cb 1.18 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 1qhw h LEU 194 CO 0.13 0.62 0.41 0.00 0.09 0.00 0.00 178.44 179.68 1qhw n ALA 195 N -2.45 5.19 -0.47 1.53 0.00 -0.57 -3.56 120.51 120.19 1qhw n ALA 195 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.70 1qhw n ALA 195 Cb 0.55 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1qhw n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qhw n ALA 196 N 0.41 0.00 -1.96 0.00 0.00 -1.17 -4.98 120.51 112.81 1qhw n ALA 196 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1qhw n ALA 196 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1qhw n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qhw s ALA 197 N 0.00 3.62 -1.41 0.00 0.00 -0.90 -4.87 121.76 118.19 1qhw s ALA 197 Ca 0.00 1.02 0.23 0.00 0.00 0.00 0.00 51.96 53.21 1qhw s ALA 197 Cb 0.00 -3.75 0.08 0.00 0.00 0.00 0.00 23.12 19.45 1qhw s ALA 197 CO 0.00 -1.36 1.12 1.63 0.00 0.00 0.00 175.76 177.15 1qhw n LYS 198 N 6.92 0.48 -1.05 0.00 4.76 -1.26 -5.00 118.16 123.00 1qhw n LYS 198 Ca 0.17 -0.37 -0.34 0.00 -2.87 0.00 0.00 58.31 54.90 1qhw n LYS 198 Cb 0.42 -1.49 0.10 0.00 -1.84 0.00 0.00 35.03 32.22 1qhw n LYS 198 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1qhw n GLU 199 N -0.94 0.05 0.11 1.97 4.71 -1.26 -4.93 120.64 120.34 1qhw n GLU 199 Ca 0.07 0.07 -0.02 0.00 -0.01 0.00 0.00 57.16 57.27 1qhw n GLU 199 Cb 0.38 -1.97 -0.02 0.00 -1.01 0.00 0.00 31.44 28.82 1qhw n GLU 199 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1qhw h ASP 200 N -0.94 0.00 -3.87 1.62 3.32 -1.61 -3.44 116.42 111.50 1qhw h ASP 200 Ca -0.45 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.17 1qhw h ASP 200 Cb 1.31 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.56 1qhw h ASP 200 CO 0.40 0.72 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.54 1qhw s TYR 201 N -2.91 0.99 -0.10 4.55 1.51 -0.96 -2.17 117.35 118.25 1qhw s TYR 201 Ca 0.02 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1qhw s TYR 201 Cb 0.09 -0.69 0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1qhw s TYR 201 CO 0.78 -0.09 -0.04 0.08 -1.11 0.00 0.00 175.55 175.16 1qhw s VAL 202 N 0.11 0.78 0.10 0.71 1.01 -1.26 -1.42 120.40 120.43 1qhw s VAL 202 Ca -0.02 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1qhw s VAL 202 Cb -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1qhw s VAL 202 CO 0.00 0.30 -0.22 -0.76 0.00 0.00 0.00 175.10 174.43 1qhw s LEU 203 N 1.81 2.52 -0.02 3.92 1.43 -0.12 -0.71 118.68 127.50 1qhw s LEU 203 Ca 0.05 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1qhw s LEU 203 Cb -0.13 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1qhw s LEU 203 CO -0.07 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 175.86 1qhw s VAL 204 N -1.05 1.24 0.04 -1.59 1.01 -0.86 -0.76 120.40 118.43 1qhw s VAL 204 Ca 0.16 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1qhw s VAL 204 Cb -0.10 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1qhw s VAL 204 CO 0.07 0.36 -0.10 0.00 0.00 0.00 0.00 175.10 175.43 1qhw s ALA 205 N -0.18 0.78 0.25 5.51 0.00 -0.47 -0.17 121.76 127.48 1qhw s ALA 205 Ca 0.02 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 1qhw s ALA 205 Cb -0.08 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1qhw s ALA 205 CO 0.00 0.08 0.74 0.20 0.00 0.00 0.00 175.76 176.78 1qhw s GLY 206 N -1.35 -0.16 -0.07 0.00 0.00 -0.55 -0.23 107.32 104.96 1qhw s GLY 206 Ca -0.05 -0.16 -0.15 0.00 0.00 0.00 0.00 44.72 44.36 1qhw s GLY 206 CO 0.01 -0.05 0.58 0.84 0.00 0.00 0.00 173.10 174.48 1qhw h HIS 207 N 2.00 -0.19 -3.96 1.90 2.76 -1.79 -3.33 115.15 112.53 1qhw h HIS 207 Ca -0.21 -0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.43 1qhw h HIS 207 Cb 1.25 0.06 0.08 0.00 1.55 0.00 0.00 27.41 30.36 1qhw h HIS 207 CO 0.40 0.14 0.58 0.71 -1.30 0.00 0.00 177.93 178.47 1qhw s TYR 208 N -2.76 2.80 0.32 5.26 2.02 -1.26 -1.52 117.35 122.21 1qhw s TYR 208 Ca -0.09 1.44 -0.16 0.00 -0.37 0.00 0.00 57.07 57.89 1qhw s TYR 208 Cb -0.00 -3.61 -0.09 0.00 -0.40 0.00 0.00 41.96 37.86 1qhw s TYR 208 CO 0.32 -2.01 0.76 -2.14 -1.57 0.00 0.00 175.55 170.91 1qhw s PRO 209 N -2.37 4.05 -0.13 -1.71 0.02 -1.26 -4.78 135.00 128.82 1qhw s PRO 209 Ca 0.59 0.74 -0.06 0.00 0.02 0.00 0.00 61.00 62.29 1qhw s PRO 209 Cb -0.36 -2.45 -0.02 0.00 0.02 0.00 0.00 34.50 31.69 1qhw s PRO 209 CO 0.46 0.16 -0.11 0.82 -0.33 0.00 0.00 177.00 178.00 1qhw h ILE 210 N 2.04 0.00 -3.70 2.83 2.04 -1.90 -2.66 117.51 116.16 1qhw h ILE 210 Ca -0.48 -0.99 -0.68 0.00 1.00 0.00 0.00 64.86 63.71 1qhw h ILE 210 Cb 1.18 0.00 -0.24 0.00 -0.74 0.00 0.00 36.82 37.02 1qhw h ILE 210 CO 0.65 0.00 -0.75 0.26 0.00 0.00 0.00 178.15 178.31 1qhw s TRP 211 N -1.99 2.80 -0.27 1.37 0.23 -1.26 -3.09 118.94 116.73 1qhw s TRP 211 Ca -0.09 -0.29 -0.25 0.00 -2.03 0.00 0.00 56.10 53.43 1qhw s TRP 211 Cb 0.01 -1.73 0.10 0.00 0.03 0.00 0.00 33.47 31.88 1qhw s TRP 211 CO 0.14 0.07 0.91 0.45 0.96 0.00 0.00 176.95 179.48 1qhw s SER 212 N -0.32 -0.56 0.00 2.95 0.15 -1.26 -4.84 113.70 109.81 1qhw s SER 212 Ca 0.03 1.07 0.21 0.00 0.70 0.00 0.00 55.95 57.97 1qhw s SER 212 Cb -0.13 1.08 0.13 0.00 -1.71 0.00 0.00 66.02 65.39 1qhw s SER 212 CO 0.02 -0.20 1.14 2.30 1.20 0.00 0.00 173.24 177.71 1qhw n ILE 213 N 2.34 0.00 -0.34 6.45 -5.35 -1.26 -3.14 119.36 118.06 1qhw n ILE 213 Ca -0.13 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1qhw n ILE 213 Cb 0.56 1.40 0.00 0.00 -1.74 0.00 0.00 39.64 39.85 1qhw n ILE 213 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qhw n ALA 214 N 0.91 0.00 -0.13 -1.28 0.00 -1.26 -0.84 120.51 117.90 1qhw n ALA 214 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.51 1qhw n ALA 214 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1qhw n ALA 214 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1qhw h GLU 215 N 0.00 -0.12 0.12 0.00 9.09 -1.92 -3.10 114.58 118.65 1qhw h GLU 215 Ca 0.00 0.01 -0.34 0.00 0.05 0.00 0.00 59.36 59.08 1qhw h GLU 215 Cb 0.00 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 1qhw h GLU 215 CO 0.00 -0.08 -1.78 0.45 0.05 0.00 0.00 179.01 177.65 1qhw h HIS 216 N -0.12 0.46 -0.25 2.06 3.86 -1.94 -3.46 115.15 115.76 1qhw h HIS 216 Ca 0.21 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1qhw h HIS 216 Cb 0.45 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1qhw h HIS 216 CO -0.46 1.54 0.00 0.41 0.86 0.00 0.00 177.93 180.28 1qhw n GLY 217 N 1.81 -1.53 3.74 2.45 0.00 -1.18 -4.88 105.19 105.60 1qhw n GLY 217 Ca -0.24 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 1qhw n GLY 217 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qhw s PRO 218 N 0.00 2.83 -0.48 1.61 0.02 -1.19 -4.54 135.00 133.26 1qhw s PRO 218 Ca 0.00 2.09 -0.16 0.00 0.02 0.00 0.00 61.00 62.95 1qhw s PRO 218 Cb 0.00 -2.01 0.08 0.00 0.02 0.00 0.00 34.50 32.59 1qhw s PRO 218 CO 0.00 -1.39 0.41 0.99 -0.33 0.00 0.00 177.00 176.68 1qhw s THR 219 N -1.39 5.23 0.26 0.99 2.01 -1.01 -4.97 115.64 116.77 1qhw s THR 219 Ca 0.78 -1.12 -0.10 0.00 0.31 0.00 0.00 61.69 61.56 1qhw s THR 219 Cb -0.38 -4.15 0.39 0.00 0.01 0.00 0.00 72.50 68.38 1qhw s THR 219 CO 0.41 -0.62 1.58 -0.09 -0.69 0.00 0.00 174.62 175.22 1qhw h ARG 220 N 8.77 -0.00 -0.84 4.92 2.43 -1.89 0.10 114.38 127.87 1qhw h ARG 220 Ca -0.29 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1qhw h ARG 220 Cb 1.11 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 1qhw h ARG 220 CO 0.90 -0.00 0.55 0.00 -1.51 0.00 0.00 179.97 179.90 1qhw h LEU 222 N 0.76 0.41 -0.77 0.00 3.38 -1.17 -0.46 115.31 117.47 1qhw h LEU 222 Ca 0.40 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1qhw h LEU 222 Cb 0.51 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1qhw h LEU 222 CO -0.16 1.28 0.10 0.58 0.09 0.00 0.00 178.44 180.33 1qhw h VAL 223 N 0.10 1.26 0.02 1.22 2.07 -0.78 0.19 116.25 120.33 1qhw h VAL 223 Ca -0.11 -1.01 -0.25 0.00 0.82 0.00 0.00 66.70 66.15 1qhw h VAL 223 Cb 1.85 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1qhw h VAL 223 CO 0.19 0.38 -1.33 0.11 0.02 0.00 0.00 177.57 176.93 1qhw h LYS 224 N 0.97 0.04 0.00 1.57 1.57 -1.25 -3.37 116.57 116.10 1qhw h LYS 224 Ca 0.19 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1qhw h LYS 224 Cb 0.42 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1qhw h LYS 224 CO 0.01 0.83 -1.60 0.09 -0.57 0.00 0.00 179.45 178.22 1qhw n ASN 225 N -3.26 2.19 -0.06 0.86 3.02 -0.18 -4.78 115.26 113.04 1qhw n ASN 225 Ca -0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 1qhw n ASN 225 Cb 0.99 1.44 -0.05 0.00 -0.61 0.00 0.00 39.78 41.56 1qhw n ASN 225 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1qhw n LEU 226 N -2.00 1.14 -0.28 3.41 7.94 0.47 -4.75 117.00 122.93 1qhw n LEU 226 Ca -0.05 0.13 0.07 0.00 -1.11 0.00 0.00 56.01 55.06 1qhw n LEU 226 Cb 0.41 -0.38 0.19 0.00 0.53 0.00 0.00 43.42 44.16 1qhw n LEU 226 CO 0.26 0.32 0.82 -0.09 -1.11 0.00 0.00 177.39 177.58 1qhw h ARG 227 N -0.41 0.09 -0.99 1.96 2.43 -1.13 -1.08 114.38 115.24 1qhw h ARG 227 Ca -0.32 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.02 1qhw h ARG 227 Cb 1.30 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.73 1qhw h ARG 227 CO -0.18 0.06 0.62 -1.35 -1.51 0.00 0.00 179.97 177.60 1qhw h PRO 228 N 0.09 0.75 -0.25 0.20 0.11 -1.84 -1.64 132.00 129.41 1qhw h PRO 228 Ca 0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.48 1qhw h PRO 228 Cb 0.84 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1qhw h PRO 228 CO -0.73 0.50 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.45 1qhw h LEU 229 N 0.77 0.35 0.46 2.35 3.38 -1.49 -3.18 115.31 117.96 1qhw h LEU 229 Ca 0.55 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1qhw h LEU 229 Cb 0.85 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1qhw h LEU 229 CO -0.33 0.44 -0.39 -0.07 0.09 0.00 0.00 178.44 178.18 1qhw h LEU 230 N 0.37 -1.05 -0.80 1.67 3.38 -1.32 -2.40 115.31 115.15 1qhw h LEU 230 Ca 0.08 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1qhw h LEU 230 Cb 0.30 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1qhw h LEU 230 CO 0.01 -0.56 -0.44 0.00 0.09 0.00 0.00 178.44 177.54 1qhw h ALA 231 N -0.49 0.97 -0.93 1.53 0.00 -1.68 0.48 119.26 119.14 1qhw h ALA 231 Ca -0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1qhw h ALA 231 Cb 0.74 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1qhw h ALA 231 CO -0.03 0.63 0.55 0.00 0.00 0.00 0.00 179.25 180.40 1qhw h ALA 232 N 1.24 1.22 -0.43 0.00 0.00 -1.51 -3.03 119.26 116.75 1qhw h ALA 232 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qhw h ALA 232 Cb 0.90 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1qhw h ALA 232 CO 0.07 0.66 0.00 0.66 0.00 0.00 0.00 179.25 180.64 1qhw n TYR 233 N -4.35 0.57 -2.75 0.00 4.01 -0.91 -5.00 117.16 108.73 1qhw n TYR 233 Ca 0.10 -0.37 -0.07 0.00 -0.16 0.00 0.00 57.90 57.41 1qhw n TYR 233 Cb 0.07 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 1qhw n TYR 233 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qhw n GLY 234 N 1.14 0.48 3.73 2.72 0.00 -0.93 -5.00 105.19 107.33 1qhw n GLY 234 Ca 0.17 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1qhw n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhw s VAL 235 N -3.09 3.62 0.03 1.61 1.01 0.11 -4.73 120.40 118.96 1qhw s VAL 235 Ca 0.14 1.26 -0.25 0.00 0.00 0.00 0.00 61.98 63.13 1qhw s VAL 235 Cb -0.06 -3.81 -0.18 0.00 0.00 0.00 0.00 36.38 32.33 1qhw s VAL 235 CO 0.21 0.15 1.45 0.74 0.00 0.00 0.00 175.10 177.65 1qhw h THR 236 N 4.05 1.03 -2.67 3.92 2.02 -1.25 -3.44 112.91 116.57 1qhw h THR 236 Ca -0.43 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.24 1qhw h THR 236 Cb 1.21 1.39 -0.13 0.00 -1.74 0.00 0.00 68.15 68.88 1qhw h THR 236 CO 0.79 0.13 0.34 0.00 0.37 0.00 0.00 175.52 177.15 1qhw s ALA 237 N -5.17 -1.67 -0.13 6.16 0.00 -1.24 -1.82 121.76 117.89 1qhw s ALA 237 Ca -0.15 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1qhw s ALA 237 Cb 0.03 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1qhw s ALA 237 CO 0.64 -0.77 -0.11 -0.47 0.00 0.00 0.00 175.76 175.04 1qhw s TYR 238 N -3.48 2.85 0.04 0.00 5.04 -0.32 -2.02 117.35 119.46 1qhw s TYR 238 Ca 0.04 -0.58 0.04 0.00 -2.44 0.00 0.00 57.07 54.13 1qhw s TYR 238 Cb -0.01 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 1qhw s TYR 238 CO -0.09 -0.18 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.38 1qhw s LEU 239 N 0.34 3.25 0.26 6.97 1.43 0.75 -1.46 118.68 130.22 1qhw s LEU 239 Ca -0.10 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 1qhw s LEU 239 Cb -0.16 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.20 1qhw s LEU 239 CO 0.05 0.24 0.93 0.00 0.23 0.00 0.00 176.35 177.80 1qhw n GLY 241 N -0.62 3.65 5.00 0.00 0.00 -0.58 -0.23 105.19 112.41 1qhw n GLY 241 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1qhw n GLY 241 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qhw n HIS 242 N 0.00 0.00 -2.93 1.61 -0.00 -1.22 -4.46 115.22 108.22 1qhw n HIS 242 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1qhw n HIS 242 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 1qhw n HIS 242 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1qhw s ASP 243 N 0.00 7.04 -1.36 0.26 1.01 -1.26 -4.97 116.67 117.39 1qhw s ASP 243 Ca 0.00 1.26 -0.16 0.00 0.71 0.00 0.00 52.55 54.36 1qhw s ASP 243 Cb 0.00 -2.46 0.05 0.00 1.01 0.00 0.00 42.92 41.53 1qhw s ASP 243 CO 0.00 -0.25 1.94 1.41 0.21 0.00 0.00 175.17 178.49 1qhw n HIS 244 N 4.33 4.15 -3.46 4.23 8.25 -1.25 -4.03 115.22 127.44 1qhw n HIS 244 Ca 0.02 -2.87 0.00 0.00 -0.26 0.00 0.00 57.72 54.61 1qhw n HIS 244 Cb 0.50 -2.60 0.00 0.00 1.12 0.00 0.00 29.99 29.02 1qhw n HIS 244 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1qhw n ASN 245 N 7.53 0.00 -4.24 0.41 0.23 -1.22 -0.42 115.26 117.54 1qhw n ASN 245 Ca 0.50 -0.88 -0.30 0.00 -0.53 0.00 0.00 54.58 53.37 1qhw n ASN 245 Cb 0.43 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.97 1qhw n ASN 245 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1qhw s LEU 246 N 0.00 2.04 -0.00 -4.53 1.43 -0.81 -1.97 118.68 114.83 1qhw s LEU 246 Ca 0.00 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 1qhw s LEU 246 Cb 0.00 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.95 1qhw s LEU 246 CO 0.00 0.23 0.34 -1.10 0.23 0.00 0.00 176.35 176.05 1qhw s GLN 247 N -0.14 0.74 -0.07 1.70 -0.21 -0.57 -1.95 119.66 119.16 1qhw s GLN 247 Ca -0.03 -0.23 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 1qhw s GLN 247 Cb -0.13 0.33 0.03 0.00 1.00 0.00 0.00 33.01 34.23 1qhw s GLN 247 CO 0.03 -0.22 -0.01 -0.47 -2.12 0.00 0.00 175.29 172.51 1qhw s TYR 248 N -1.61 0.74 0.21 0.91 5.04 -0.31 -0.94 117.35 121.40 1qhw s TYR 248 Ca -0.11 -0.22 0.08 0.00 -2.44 0.00 0.00 57.07 54.37 1qhw s TYR 248 Cb -0.04 -0.82 -0.05 0.00 0.35 0.00 0.00 41.96 41.41 1qhw s TYR 248 CO 0.03 -0.33 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.27 1qhw s LEU 249 N 1.81 2.55 -0.19 6.97 1.02 -0.25 -1.18 118.68 129.40 1qhw s LEU 249 Ca 0.03 -1.04 -0.07 0.00 0.02 0.00 0.00 54.13 53.07 1qhw s LEU 249 Cb -0.13 -0.68 0.09 0.00 0.02 0.00 0.00 46.19 45.49 1qhw s LEU 249 CO -0.05 -0.19 0.41 -1.58 0.02 0.00 0.00 176.35 174.96 1qhw s GLN 250 N -3.65 0.32 0.84 1.70 0.74 -0.57 0.21 119.66 119.24 1qhw s GLN 250 Ca 0.23 0.99 -0.14 0.00 0.05 0.00 0.00 55.36 56.49 1qhw s GLN 250 Cb -0.00 0.27 0.19 0.00 1.10 0.00 0.00 33.01 34.57 1qhw s GLN 250 CO 0.08 -0.24 1.10 -0.40 -0.55 0.00 0.00 175.29 175.27 1qhw n ASP 251 N 5.27 -0.05 0.09 6.67 5.68 -0.99 -4.40 116.55 128.82 1qhw n ASP 251 Ca -0.10 -1.38 0.11 0.00 -0.50 0.00 0.00 54.79 52.93 1qhw n ASP 251 Cb 0.50 -0.85 0.45 0.00 -1.14 0.00 0.00 41.12 40.08 1qhw n ASP 251 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1qhw n GLU 252 N -3.43 0.16 0.00 0.11 0.00 -1.26 -2.44 120.64 113.78 1qhw n GLU 252 Ca 0.14 0.31 0.13 0.00 0.00 0.00 0.00 57.16 57.75 1qhw n GLU 252 Cb 0.48 -1.76 0.45 0.00 0.00 0.00 0.00 31.44 30.61 1qhw n GLU 252 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1qhw n ASN 253 N -2.06 1.14 0.00 -1.84 3.02 -1.26 -4.93 115.26 109.33 1qhw n ASN 253 Ca 0.03 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1qhw n ASN 253 Cb 0.27 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1qhw n ASN 253 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhw n GLY 254 N 1.27 0.62 3.76 7.41 0.00 -1.02 -5.06 105.19 112.17 1qhw n GLY 254 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1qhw n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhw s VAL 255 N -2.46 3.46 0.05 1.61 1.01 -1.26 -4.87 120.40 117.94 1qhw s VAL 255 Ca 0.00 1.47 -0.00 0.00 0.00 0.00 0.00 61.98 63.44 1qhw s VAL 255 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1qhw s VAL 255 CO 0.00 0.35 0.19 -0.83 0.00 0.00 0.00 175.10 174.81 1qhw s GLY 256 N -0.84 2.17 -0.26 4.51 0.00 -0.76 -2.34 107.32 109.80 1qhw s GLY 256 Ca 0.45 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1qhw s GLY 256 CO 0.41 -0.81 -0.01 -0.19 0.00 0.00 0.00 173.10 172.51 1qhw s TYR 257 N -1.47 2.46 -0.32 1.90 1.51 0.13 -1.18 117.35 120.38 1qhw s TYR 257 Ca 0.33 -1.92 -0.12 0.00 -1.01 0.00 0.00 57.07 54.35 1qhw s TYR 257 Cb -0.13 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 1qhw s TYR 257 CO 0.26 -0.81 0.23 0.08 -1.11 0.00 0.00 175.55 174.19 1qhw s VAL 258 N 1.37 5.29 -0.23 0.71 1.01 -0.54 -1.10 120.40 126.91 1qhw s VAL 258 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1qhw s VAL 258 Cb -0.19 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1qhw s VAL 258 CO -0.10 0.06 -0.02 -0.22 0.00 0.00 0.00 175.10 174.82 1qhw s LEU 259 N 1.73 3.07 -0.46 3.92 0.20 -0.12 -1.32 118.68 125.70 1qhw s LEU 259 Ca 0.06 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.45 1qhw s LEU 259 Cb -0.17 -1.76 0.15 0.00 -0.43 0.00 0.00 46.19 43.98 1qhw s LEU 259 CO 0.11 -0.05 0.31 -0.55 -0.29 0.00 0.00 176.35 175.87 1qhw s SER 260 N 1.48 2.97 -0.23 3.68 0.15 0.68 -1.51 113.70 120.92 1qhw s SER 260 Ca 0.05 -2.88 0.15 0.00 0.70 0.00 0.00 55.95 53.97 1qhw s SER 260 Cb -0.15 -0.81 0.47 0.00 -1.71 0.00 0.00 66.02 63.82 1qhw s SER 260 CO -0.02 -0.21 1.17 0.61 1.20 0.00 0.00 173.24 175.98 1qhw n GLY 261 N 3.16 4.00 1.20 9.45 0.00 -0.83 -1.65 105.19 120.51 1qhw n GLY 261 Ca 0.18 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 1qhw n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhw n ALA 262 N -0.58 4.38 1.12 4.61 0.00 -1.23 -3.44 120.51 125.36 1qhw n ALA 262 Ca 0.23 -3.18 0.14 0.00 0.00 0.00 0.00 53.44 50.63 1qhw n ALA 262 Cb 0.89 -0.73 0.65 0.00 0.00 0.00 0.00 19.45 20.26 1qhw n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qhw n GLY 263 N -1.12 -1.43 0.00 0.00 0.00 -0.83 -1.48 105.19 100.33 1qhw n GLY 263 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1qhw n GLY 263 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qhw n ASN 264 N -1.43 0.00 -4.27 1.61 5.15 -0.96 -3.77 115.26 111.58 1qhw n ASN 264 Ca 0.09 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.92 1qhw n ASN 264 Cb 0.31 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.46 1qhw n ASN 264 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1qhw s PHE 265 N -0.86 1.35 -0.27 1.20 0.08 -1.26 -4.68 117.98 113.54 1qhw s PHE 265 Ca 0.00 -0.91 -0.04 0.00 0.12 0.00 0.00 56.93 56.10 1qhw s PHE 265 Cb 0.00 -0.75 0.10 0.00 -0.57 0.00 0.00 43.02 41.80 1qhw s PHE 265 CO 0.00 -0.07 0.16 -1.64 -0.10 0.00 0.00 175.22 173.57 1qhw s MET 266 N -3.85 0.19 -0.25 0.44 -1.94 -1.26 -4.44 119.30 108.19 1qhw s MET 266 Ca 0.23 -0.35 -0.12 0.00 -1.71 0.00 0.00 55.69 53.74 1qhw s MET 266 Cb 0.05 -1.18 -0.05 0.00 2.01 0.00 0.00 34.83 35.66 1qhw s MET 266 CO 0.05 -0.95 0.22 0.34 -0.01 0.00 0.00 175.02 174.66 1qhw s ASP 267 N 2.16 6.13 0.53 3.03 -1.08 0.43 -4.39 116.67 123.50 1qhw s ASP 267 Ca 0.08 0.13 0.32 0.00 -0.52 0.00 0.00 52.55 52.56 1qhw s ASP 267 Cb -0.16 -2.13 1.23 0.00 -1.46 0.00 0.00 42.92 40.40 1qhw s ASP 267 CO -0.31 -0.01 1.93 -0.65 0.52 0.00 0.00 175.17 176.66 1qhw h PRO 268 N 7.84 0.00 -6.18 4.34 0.11 -1.80 -3.43 132.00 132.87 1qhw h PRO 268 Ca -0.36 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.08 1qhw h PRO 268 Cb 1.17 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.38 1qhw h PRO 268 CO 0.63 0.00 -0.10 0.45 -0.21 0.00 0.00 178.00 178.76 1qhw n SER 269 N -3.08 0.12 -0.99 -2.05 2.88 -1.26 -4.87 113.62 104.37 1qhw n SER 269 Ca 0.01 1.15 0.05 0.00 -1.33 0.00 0.00 58.87 58.75 1qhw n SER 269 Cb 0.33 -1.08 0.09 0.00 -0.75 0.00 0.00 64.21 62.80 1qhw n SER 269 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1qhw n VAL 270 N 0.65 0.92 -0.32 2.46 0.24 -1.26 -4.13 118.33 116.89 1qhw n VAL 270 Ca 0.16 -1.80 0.24 0.00 -2.04 0.00 0.00 64.34 60.90 1qhw n VAL 270 Cb 0.24 0.43 0.54 0.00 -1.47 0.00 0.00 33.84 33.58 1qhw n VAL 270 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1qhw h ARG 271 N 0.84 0.33 -0.46 7.34 2.43 -1.68 -2.68 114.38 120.50 1qhw h ARG 271 Ca -0.11 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1qhw h ARG 271 Cb 1.47 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 1qhw h ARG 271 CO 0.05 0.22 0.01 0.72 -1.51 0.00 0.00 179.97 179.46 1qhw n HIS 272 N -4.57 1.67 0.27 2.20 8.25 -0.02 -4.62 115.22 118.40 1qhw n HIS 272 Ca 0.25 -0.82 0.12 0.00 -0.26 0.00 0.00 57.72 57.01 1qhw n HIS 272 Cb 0.92 -0.45 0.77 0.00 1.12 0.00 0.00 29.99 32.35 1qhw n HIS 272 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1qhw h GLN 273 N 3.09 0.00 0.00 -0.41 3.07 -1.28 -0.31 115.11 119.26 1qhw h GLN 273 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1qhw h GLN 273 Cb 1.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.36 1qhw h GLN 273 CO 0.40 0.05 0.00 -2.13 0.09 0.00 0.00 178.83 177.24 1qhw n ARG 274 N -4.03 0.23 0.00 0.06 3.00 -1.26 -3.04 116.66 111.63 1qhw n ARG 274 Ca -0.03 0.22 0.13 0.00 -0.00 0.00 0.00 57.85 58.17 1qhw n ARG 274 Cb 0.13 -1.79 0.43 0.00 0.00 0.00 0.00 32.46 31.24 1qhw n ARG 274 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1qhw n LYS 275 N -2.20 1.32 -4.21 -0.14 4.76 -0.13 -4.83 118.16 112.74 1qhw n LYS 275 Ca 0.05 -0.80 -0.34 0.00 -2.87 0.00 0.00 58.31 54.35 1qhw n LYS 275 Cb 0.40 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 1qhw n LYS 275 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qhw s VAL 276 N -2.23 4.42 0.29 -0.18 1.01 -1.17 -4.95 120.40 117.59 1qhw s VAL 276 Ca 0.31 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 1qhw s VAL 276 Cb 0.20 -2.94 -0.14 0.00 0.00 0.00 0.00 36.38 33.50 1qhw s VAL 276 CO 0.42 0.51 0.89 -2.65 0.00 0.00 0.00 175.10 174.27 1qhw n PRO 277 N 3.17 1.07 -1.73 2.72 -0.02 -1.26 -4.86 135.00 134.08 1qhw n PRO 277 Ca -0.17 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1qhw n PRO 277 Cb 0.53 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 32.31 1qhw n PRO 277 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qhw n ASN 278 N 1.32 3.38 0.00 2.55 5.03 -1.26 -2.52 115.26 123.76 1qhw n ASN 278 Ca 0.11 1.20 0.00 0.00 0.87 0.00 0.00 54.58 56.76 1qhw n ASN 278 Cb 0.32 -1.55 0.00 0.00 -1.02 0.00 0.00 39.78 37.52 1qhw n ASN 278 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qhw n GLY 279 N 1.06 3.28 0.19 7.41 0.00 -1.26 -4.93 105.19 110.94 1qhw n GLY 279 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1qhw n GLY 279 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qhw h TYR 280 N 0.00 0.67 -2.56 1.61 -1.99 -1.70 -3.44 116.97 109.57 1qhw h TYR 280 Ca 0.00 -0.13 -0.55 0.00 2.00 0.00 0.00 58.73 60.04 1qhw h TYR 280 Cb 0.00 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1qhw h TYR 280 CO 0.00 0.76 1.16 -1.17 -0.00 0.00 0.00 178.16 178.91 1qhw s LEU 281 N -9.36 4.14 -0.13 3.88 2.96 -1.26 -1.51 118.68 117.40 1qhw s LEU 281 Ca -0.13 2.10 0.07 0.00 -0.22 0.00 0.00 54.13 55.94 1qhw s LEU 281 Cb 0.09 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.12 1qhw s LEU 281 CO 0.78 -1.13 -0.03 0.54 -1.32 0.00 0.00 176.35 175.19 1qhw n ARG 282 N 7.49 1.41 -3.75 1.98 5.12 -0.33 -4.99 116.66 123.60 1qhw n ARG 282 Ca 0.19 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 56.01 1qhw n ARG 282 Cb 0.43 -1.30 -0.10 0.00 -1.16 0.00 0.00 32.46 30.34 1qhw n ARG 282 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1qhw s PHE 283 N -2.29 -0.34 -0.21 -1.55 5.36 -0.69 -4.97 117.98 113.30 1qhw s PHE 283 Ca -0.11 0.77 -0.22 0.00 -0.96 0.00 0.00 56.93 56.40 1qhw s PHE 283 Cb 0.04 0.13 0.06 0.00 -0.34 0.00 0.00 43.02 42.91 1qhw s PHE 283 CO 0.42 -0.26 0.61 -1.58 -1.46 0.00 0.00 175.22 172.94 1qhw s HIS 284 N -0.31 -0.65 -0.23 10.12 5.65 -1.26 -1.16 115.29 127.45 1qhw s HIS 284 Ca -0.04 1.56 -0.09 0.00 0.25 0.00 0.00 55.06 56.73 1qhw s HIS 284 Cb -0.03 0.24 0.09 0.00 -1.18 0.00 0.00 32.58 31.70 1qhw s HIS 284 CO 0.02 -0.35 0.51 -0.47 -0.65 0.00 0.00 174.74 173.80 1qhw s TYR 285 N 0.16 -0.92 0.00 3.88 5.04 -0.82 -5.02 117.35 119.66 1qhw s TYR 285 Ca -0.01 1.75 0.13 0.00 -2.44 0.00 0.00 57.07 56.50 1qhw s TYR 285 Cb -0.04 0.46 0.21 0.00 0.35 0.00 0.00 41.96 42.95 1qhw s TYR 285 CO 0.02 -0.50 1.05 0.41 -1.34 0.00 0.00 175.55 175.19 1qhw n GLY 286 N 4.99 0.79 3.68 8.97 0.00 -1.26 -1.93 105.19 120.42 1qhw n GLY 286 Ca -0.14 -0.42 -0.51 0.00 0.00 0.00 0.00 46.02 44.94 1qhw n GLY 286 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qhw n SER 287 N 0.25 2.90 0.31 1.61 2.88 -1.26 -2.66 113.62 117.66 1qhw n SER 287 Ca -0.06 1.04 0.19 0.00 -1.33 0.00 0.00 58.87 58.71 1qhw n SER 287 Cb 0.91 -1.30 1.02 0.00 -0.75 0.00 0.00 64.21 64.09 1qhw n SER 287 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1qhw h GLU 288 N 7.56 0.00 -0.01 -1.46 4.11 -1.92 -1.27 114.58 121.59 1qhw h GLU 288 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1qhw h GLU 288 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1qhw h GLU 288 CO 0.92 0.02 -0.04 -0.25 0.07 0.00 0.00 179.01 179.73 1qhw n ASP 289 N -3.32 1.16 -4.85 3.06 8.00 -1.26 -4.87 116.55 114.47 1qhw n ASP 289 Ca -0.02 -1.30 -0.32 0.00 0.71 0.00 0.00 54.79 53.85 1qhw n ASP 289 Cb 0.13 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 1qhw n ASP 289 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1qhw s SER 290 N -2.09 6.77 0.00 -2.24 0.15 -0.48 -4.97 113.70 110.84 1qhw s SER 290 Ca 0.37 1.33 0.31 0.00 0.70 0.00 0.00 55.95 58.67 1qhw s SER 290 Cb 0.21 -2.39 1.75 0.00 -1.71 0.00 0.00 66.02 63.87 1qhw s SER 290 CO 0.37 -0.26 2.14 0.18 1.20 0.00 0.00 173.24 176.88 1qhw n LEU 291 N -0.53 0.18 0.00 3.45 4.77 -1.26 -4.87 117.00 118.74 1qhw n LEU 291 Ca 0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1qhw n LEU 291 Cb 0.53 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1qhw n LEU 291 CO 0.41 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1qhw n GLY 292 N 1.06 -0.98 2.06 -0.72 0.00 -1.26 -4.64 105.19 100.70 1qhw n GLY 292 Ca 0.22 -2.14 0.02 0.00 0.00 0.00 0.00 46.02 44.12 1qhw n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhw n GLY 293 N 0.00 0.37 3.36 -0.02 0.00 -0.55 -0.59 105.19 107.76 1qhw n GLY 293 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1qhw n GLY 293 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qhw n PHE 294 N -0.48 -2.06 -4.37 1.61 -1.74 -0.20 -3.82 117.46 106.40 1qhw n PHE 294 Ca 0.03 -1.80 -0.27 0.00 -0.56 0.00 0.00 57.45 54.84 1qhw n PHE 294 Cb 0.30 0.77 -0.13 0.00 1.52 0.00 0.00 39.48 41.95 1qhw n PHE 294 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1qhw s THR 295 N -2.31 2.13 -0.18 1.97 -4.23 -0.76 -0.67 115.64 111.59 1qhw s THR 295 Ca 0.17 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1qhw s THR 295 Cb -0.04 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.91 1qhw s THR 295 CO 0.13 0.01 -0.19 -0.47 -0.54 0.00 0.00 174.62 173.55 1qhw s TYR 296 N -1.22 2.71 -0.12 3.99 5.04 0.68 -1.05 117.35 127.38 1qhw s TYR 296 Ca 0.13 -1.60 -0.01 0.00 -2.44 0.00 0.00 57.07 53.15 1qhw s TYR 296 Cb -0.10 -1.88 -0.02 0.00 0.35 0.00 0.00 41.96 40.31 1qhw s TYR 296 CO 0.06 -0.79 -0.09 0.08 -1.34 0.00 0.00 175.55 173.47 1qhw s VAL 297 N 1.31 3.46 -0.16 3.14 1.01 0.35 -0.89 120.40 128.62 1qhw s VAL 297 Ca 0.05 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1qhw s VAL 297 Cb -0.13 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.83 1qhw s VAL 297 CO -0.13 0.54 -0.07 -0.70 0.00 0.00 0.00 175.10 174.74 1qhw s GLU 298 N 0.01 1.62 -0.26 2.72 2.12 -0.88 -1.39 118.70 122.65 1qhw s GLU 298 Ca -0.02 -0.53 -0.08 0.00 0.36 0.00 0.00 54.97 54.70 1qhw s GLU 298 Cb -0.14 -2.02 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 1qhw s GLU 298 CO 0.03 -0.39 0.10 0.42 -0.54 0.00 0.00 175.26 174.89 1qhw s ILE 299 N 1.59 4.58 0.40 -3.70 1.01 -0.02 -0.83 121.20 124.23 1qhw s ILE 299 Ca 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1qhw s ILE 299 Cb -0.15 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1qhw s ILE 299 CO -0.08 0.31 0.03 0.61 0.00 0.00 0.00 174.94 175.82 1qhw n GLY 300 N 4.96 3.59 0.28 6.18 0.00 -0.40 -1.82 105.19 117.98 1qhw n GLY 300 Ca -0.16 -2.27 0.14 0.00 0.00 0.00 0.00 46.02 43.74 1qhw n GLY 300 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qhw h SER 301 N 1.11 0.00 0.00 1.61 4.64 -1.99 -3.20 113.55 115.73 1qhw h SER 301 Ca -0.33 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.67 1qhw h SER 301 Cb 1.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 1qhw h SER 301 CO 0.53 0.06 -2.22 2.29 -0.87 0.00 0.00 176.83 176.63 1qhw n LYS 302 N -3.67 0.93 -3.69 4.77 2.85 -1.26 -4.95 118.16 113.15 1qhw n LYS 302 Ca -0.02 0.05 -0.02 0.00 -1.05 0.00 0.00 58.31 57.26 1qhw n LYS 302 Cb 0.17 -1.45 -0.01 0.00 -0.65 0.00 0.00 35.03 33.09 1qhw n LYS 302 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1qhw s GLU 303 N -2.43 0.86 -0.21 -1.58 4.04 -1.21 -3.63 118.70 114.54 1qhw s GLU 303 Ca -0.17 -0.46 -0.06 0.00 0.04 0.00 0.00 54.97 54.32 1qhw s GLU 303 Cb 0.06 0.30 -0.03 0.00 0.02 0.00 0.00 34.13 34.48 1qhw s GLU 303 CO 0.63 -0.39 0.03 1.41 -1.84 0.00 0.00 175.26 175.10 1qhw s MET 304 N -2.94 3.67 0.16 -4.83 -2.45 -0.21 -1.28 119.30 111.42 1qhw s MET 304 Ca 0.12 -0.49 0.05 0.00 -1.25 0.00 0.00 55.69 54.13 1qhw s MET 304 Cb 0.01 -3.18 -0.04 0.00 1.25 0.00 0.00 34.83 32.87 1qhw s MET 304 CO -0.01 -0.02 0.14 -1.54 1.05 0.00 0.00 175.02 174.64 1qhw s SER 305 N 1.13 5.54 -0.08 1.11 1.04 -0.01 0.51 113.70 122.94 1qhw s SER 305 Ca 0.03 -0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.33 1qhw s SER 305 Cb -0.14 -1.46 0.03 0.00 0.10 0.00 0.00 66.02 64.55 1qhw s SER 305 CO 0.02 0.07 0.03 -0.63 0.98 0.00 0.00 173.24 173.71 1qhw s ILE 306 N -1.73 0.22 -0.10 -1.02 1.01 0.55 -2.08 121.20 118.04 1qhw s ILE 306 Ca 0.31 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 1qhw s ILE 306 Cb -0.10 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 1qhw s ILE 306 CO 0.23 0.17 -0.08 -0.89 0.00 0.00 0.00 174.94 174.38 1qhw s THR 307 N 2.03 3.60 -0.27 2.92 2.01 -0.07 -1.99 115.64 123.87 1qhw s THR 307 Ca 0.04 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 1qhw s THR 307 Cb -0.13 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 1qhw s THR 307 CO -0.05 0.55 0.21 -0.31 -0.69 0.00 0.00 174.62 174.33 1qhw s TYR 308 N -0.23 3.24 -0.11 4.92 1.51 -0.29 -0.23 117.35 126.15 1qhw s TYR 308 Ca 0.03 0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 1qhw s TYR 308 Cb -0.13 -2.39 -0.01 0.00 -0.11 0.00 0.00 41.96 39.32 1qhw s TYR 308 CO 0.03 -0.13 -0.15 0.08 -1.11 0.00 0.00 175.55 174.26 1qhw s VAL 309 N 1.68 2.87 0.14 0.71 1.01 0.16 -0.68 120.40 126.29 1qhw s VAL 309 Ca 0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1qhw s VAL 309 Cb -0.16 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 1qhw s VAL 309 CO 0.10 0.54 0.52 -0.70 0.00 0.00 0.00 175.10 175.57 1qhw s GLU 310 N 0.11 3.93 0.49 2.72 2.12 -0.29 -1.03 118.70 126.75 1qhw s GLU 310 Ca -0.07 0.42 0.26 0.00 0.36 0.00 0.00 54.97 55.94 1qhw s GLU 310 Cb -0.15 -2.92 1.32 0.00 0.26 0.00 0.00 34.13 32.63 1qhw s GLU 310 CO 0.05 0.48 1.88 0.00 -0.54 0.00 0.00 175.26 177.13 1qhw h ALA 311 N 3.52 2.57 -0.05 6.30 0.00 -1.15 0.26 119.26 130.70 1qhw h ALA 311 Ca -0.49 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1qhw h ALA 311 Cb 1.19 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1qhw h ALA 311 CO 0.66 -0.83 0.05 1.03 0.00 0.00 0.00 179.25 180.15 1qhw h SER 312 N 0.16 0.00 0.00 0.00 0.87 -1.90 -3.43 113.55 109.25 1qhw h SER 312 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1qhw h SER 312 Cb 1.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1qhw h SER 312 CO -0.08 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.83 1qhw n GLY 313 N -1.39 1.25 3.89 5.77 0.00 0.91 -5.11 105.19 110.51 1qhw n GLY 313 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1qhw n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qhw s LYS 314 N 0.00 3.54 -0.17 1.61 -2.85 -1.24 -4.87 119.74 115.76 1qhw s LYS 314 Ca 0.00 -0.17 -0.21 0.00 -1.00 0.00 0.00 55.97 54.58 1qhw s LYS 314 Cb 0.00 -3.05 -0.03 0.00 -2.06 0.00 0.00 37.83 32.69 1qhw s LYS 314 CO 0.00 0.63 0.64 -1.12 0.10 0.00 0.00 175.35 175.60 1qhw s SER 315 N -1.94 6.76 -0.08 0.03 0.01 -1.26 -1.14 113.70 116.08 1qhw s SER 315 Ca 0.30 0.92 0.07 0.00 1.31 0.00 0.00 55.95 58.54 1qhw s SER 315 Cb -0.13 -2.36 -0.24 0.00 0.21 0.00 0.00 66.02 63.50 1qhw s SER 315 CO 0.19 -0.23 0.53 0.18 0.41 0.00 0.00 173.24 174.32 1qhw n LEU 316 N 4.73 1.42 -3.50 2.44 4.77 0.14 -4.99 117.00 122.01 1qhw n LEU 316 Ca -0.01 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1qhw n LEU 316 Cb 0.50 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1qhw n LEU 316 CO 0.45 0.55 0.34 0.12 -1.33 0.00 0.00 177.39 177.52 1qhw s PHE 317 N -2.58 -0.49 -0.23 -1.77 5.36 -1.25 -5.01 117.98 112.01 1qhw s PHE 317 Ca -0.11 0.44 -0.12 0.00 -0.96 0.00 0.00 56.93 56.18 1qhw s PHE 317 Cb 0.07 0.44 0.08 0.00 -0.34 0.00 0.00 43.02 43.27 1qhw s PHE 317 CO 0.80 -0.74 0.56 0.21 -1.46 0.00 0.00 175.22 174.60 1qhw s LYS 318 N -3.00 0.55 0.30 10.12 2.20 -1.26 -1.14 119.74 127.52 1qhw s LYS 318 Ca -0.02 1.07 0.03 0.00 -0.36 0.00 0.00 55.97 56.68 1qhw s LYS 318 Cb -0.00 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.43 1qhw s LYS 318 CO -0.06 -0.17 0.10 0.95 -0.36 0.00 0.00 175.35 175.82 1qhw s THR 319 N 1.75 0.67 0.09 3.43 -4.23 -0.84 -4.97 115.64 111.54 1qhw s THR 319 Ca -0.09 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1qhw s THR 319 Cb -0.07 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1qhw s THR 319 CO -0.17 0.00 -0.09 -0.94 -0.54 0.00 0.00 174.62 172.88 1qhw s SER 320 N -3.41 1.28 -0.06 3.99 1.04 -1.26 -0.33 113.70 114.95 1qhw s SER 320 Ca 0.35 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1qhw s SER 320 Cb 0.07 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1qhw s SER 320 CO 0.15 -0.30 -0.06 -0.76 0.98 0.00 0.00 173.24 173.25 1qhw s LEU 321 N -2.45 1.25 1.01 2.42 1.43 0.18 -4.95 118.68 117.57 1qhw s LEU 321 Ca 0.04 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 1qhw s LEU 321 Cb -0.02 -0.58 0.06 0.00 0.03 0.00 0.00 46.19 45.68 1qhw s LEU 321 CO -0.01 -0.07 0.27 -2.65 0.23 0.00 0.00 176.35 174.12 1qhw n PRO 322 N 4.32 -0.73 -2.77 1.29 -0.02 -1.26 -1.05 135.00 134.78 1qhw n PRO 322 Ca -0.20 -0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 60.77 1qhw n PRO 322 Cb 0.51 -1.80 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 1qhw n PRO 322 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1qhw s ARG 323 N -3.57 4.19 0.10 -0.52 3.52 -1.24 -4.69 118.95 116.75 1qhw s ARG 323 Ca 0.56 1.10 -0.31 0.00 -0.13 0.00 0.00 55.73 56.95 1qhw s ARG 323 Cb -0.18 -2.18 -0.08 0.00 -1.56 0.00 0.00 34.95 30.95 1qhw s ARG 323 CO 0.67 -0.06 1.46 0.50 -0.81 0.00 0.00 175.30 177.06 1qhw s ARG 324 N -3.29 4.28 0.00 5.12 3.52 -0.92 -5.10 118.95 122.56 1qhw s ARG 324 Ca 0.62 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 1qhw s ARG 324 Cb -0.09 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1qhw s ARG 324 CO 0.15 -0.53 0.25 -2.30 -0.81 0.00 0.00 175.30 172.07