#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfw h GLU 2 N 0.00 0.82 -0.27 2.12 4.81 -1.99 -1.94 114.58 118.12 3hfw h GLU 2 Ca 0.00 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 3hfw h GLU 2 Cb 0.00 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3hfw h GLU 2 CO 0.00 0.54 -0.46 0.87 -0.73 0.00 0.00 179.01 179.23 3hfw h LYS 3 N 0.85 0.72 -0.41 1.92 1.57 -1.87 0.44 116.57 119.79 3hfw h LYS 3 Ca 0.39 -0.41 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3hfw h LYS 3 Cb 0.38 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3hfw h LYS 3 CO -0.16 1.03 -0.20 1.88 -0.57 0.00 0.00 179.45 181.43 3hfw h TYR 4 N 0.58 0.99 -0.33 -1.35 -1.99 -1.69 0.42 116.97 113.60 3hfw h TYR 4 Ca 0.03 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.52 3hfw h TYR 4 Cb 1.02 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.51 3hfw h TYR 4 CO 0.05 1.02 0.21 0.28 -0.00 0.00 0.00 178.16 179.73 3hfw h VAL 5 N 0.67 1.09 -0.68 -2.88 2.07 -1.16 -2.40 116.25 112.95 3hfw h VAL 5 Ca 0.09 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3hfw h VAL 5 Cb 0.77 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3hfw h VAL 5 CO 0.06 0.09 0.24 0.00 0.02 0.00 0.00 177.57 177.98 3hfw h ALA 6 N 1.11 1.14 -0.43 1.67 0.00 -0.07 -0.91 119.26 121.77 3hfw h ALA 6 Ca 0.12 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hfw h ALA 6 Cb -0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.41 3hfw h ALA 6 CO -0.02 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 3hfw h ALA 7 N 1.26 0.38 -0.02 0.00 0.00 -0.54 0.12 119.26 120.47 3hfw h ALA 7 Ca 0.23 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 3hfw h ALA 7 Cb 0.24 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hfw h ALA 7 CO -0.01 -0.40 -0.60 0.52 0.00 0.00 0.00 179.25 178.75 3hfw h MET 8 N 0.08 0.44 -0.13 0.00 2.86 -1.16 -2.66 114.93 114.37 3hfw h MET 8 Ca 0.21 -0.45 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 3hfw h MET 8 Cb 0.32 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3hfw h MET 8 CO -0.38 1.10 -0.28 0.28 1.06 0.00 0.00 176.91 178.69 3hfw h VAL 9 N -0.05 1.37 0.00 -2.22 2.07 -1.09 -2.49 116.25 113.84 3hfw h VAL 9 Ca -0.07 -1.56 -0.10 0.00 0.82 0.00 0.00 66.70 65.79 3hfw h VAL 9 Cb 1.30 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 3hfw h VAL 9 CO 0.12 0.46 -0.47 -0.07 0.02 0.00 0.00 177.57 177.63 3hfw h LEU 10 N 0.01 0.00 -0.23 2.57 3.38 -0.88 0.28 115.31 120.44 3hfw h LEU 10 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hfw h LEU 10 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3hfw h LEU 10 CO 0.06 0.47 0.07 -1.28 0.09 0.00 0.00 178.44 177.85 3hfw h SER 11 N 0.00 0.06 -0.36 -0.43 0.87 -1.45 0.02 113.55 112.26 3hfw h SER 11 Ca -0.00 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 3hfw h SER 11 Cb 1.14 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 3hfw h SER 11 CO 0.06 0.06 -0.12 0.00 -0.53 0.00 0.00 176.83 176.30 3hfw h ALA 12 N 1.15 0.95 -0.37 6.23 0.00 -1.01 -1.49 119.26 124.73 3hfw h ALA 12 Ca 0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3hfw h ALA 12 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hfw h ALA 12 CO -0.11 0.61 0.06 0.00 0.00 0.00 0.00 179.25 179.81 3hfw h ALA 13 N 1.13 0.49 -0.26 0.00 0.00 -0.35 -0.80 119.26 119.47 3hfw h ALA 13 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hfw h ALA 13 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3hfw h ALA 13 CO 0.04 0.19 0.17 0.78 0.00 0.00 0.00 179.25 180.44 3hfw h GLY 14 N 0.45 0.37 0.14 0.00 0.00 -0.83 0.18 103.07 103.37 3hfw h GLY 14 Ca 0.11 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.35 3hfw h GLY 14 CO 0.01 0.13 -0.33 -1.80 0.00 0.00 0.00 176.54 174.56 3hfw h ASP 15 N 0.36 -1.02 -0.78 0.19 3.58 -1.14 0.38 116.42 117.99 3hfw h ASP 15 Ca 0.10 0.15 0.04 0.00 0.42 0.00 0.00 57.03 57.74 3hfw h ASP 15 Cb -0.04 0.43 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 3hfw h ASP 15 CO -0.02 -0.36 0.49 0.00 -2.88 0.00 0.00 179.24 176.46 3hfw h ALA 16 N 0.41 1.04 -0.23 -0.78 0.00 -0.77 0.43 119.26 119.35 3hfw h ALA 16 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hfw h ALA 16 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hfw h ALA 16 CO -0.36 0.26 -0.21 -0.07 0.00 0.00 0.00 179.25 178.87 3hfw h LEU 17 N 0.93 0.59 -1.08 0.00 3.38 -0.75 -0.89 115.31 117.48 3hfw h LEU 17 Ca 0.32 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3hfw h LEU 17 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hfw h LEU 17 CO -0.14 0.93 -0.20 1.23 0.09 0.00 0.00 178.44 180.35 3hfw h GLY 18 N 0.25 0.44 0.48 0.83 0.00 -0.73 -3.29 103.07 101.05 3hfw h GLY 18 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3hfw h GLY 18 CO 0.05 0.30 -0.12 -1.82 0.00 0.00 0.00 176.54 174.96 3hfw h TYR 19 N 0.37 0.17 -6.94 5.60 3.20 -0.72 -2.59 116.97 116.05 3hfw h TYR 19 Ca 0.06 -0.07 -0.60 0.00 3.14 0.00 0.00 58.73 61.26 3hfw h TYR 19 Cb 0.57 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 3hfw h TYR 19 CO 0.02 0.75 -1.00 0.98 -1.64 0.00 0.00 178.16 177.27 3hfw n TYR 20 N -4.65 -1.38 -3.35 -3.82 9.36 -0.36 -1.09 117.16 111.88 3hfw n TYR 20 Ca -0.09 0.18 -0.23 0.00 3.32 0.00 0.00 57.90 61.08 3hfw n TYR 20 Cb 0.39 -2.82 -0.00 0.00 -0.63 0.00 0.00 39.34 36.28 3hfw n TYR 20 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3hfw n ASN 21 N -2.30 -3.85 0.00 2.98 3.02 -1.26 -0.95 115.26 112.90 3hfw n ASN 21 Ca -0.15 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3hfw n ASN 21 Cb 0.59 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 3hfw n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hfw n GLY 22 N -1.19 3.27 0.24 7.41 0.00 -0.25 -4.92 105.19 109.74 3hfw n GLY 22 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3hfw n GLY 22 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hfw h LYS 23 N 1.94 0.78 0.05 1.61 3.64 -0.78 -2.77 116.57 121.03 3hfw h LYS 23 Ca 0.00 -0.16 -0.31 0.00 -1.27 0.00 0.00 60.65 58.92 3hfw h LYS 23 Cb 0.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3hfw h LYS 23 CO 0.00 0.71 -1.71 -1.49 -2.27 0.00 0.00 179.45 174.70 3hfw h TRP 24 N 0.69 0.19 -0.50 1.91 6.55 -1.46 -3.18 115.95 120.16 3hfw h TRP 24 Ca 0.17 -0.14 0.07 0.00 0.95 0.00 0.00 58.89 59.94 3hfw h TRP 24 Cb 0.24 -0.01 -0.06 0.00 -0.86 0.00 0.00 29.16 28.47 3hfw h TRP 24 CO 0.01 1.25 0.16 1.49 -1.05 0.00 0.00 178.44 180.30 3hfw h GLU 25 N 0.03 0.32 -0.13 0.49 4.81 -1.08 -2.69 114.58 116.32 3hfw h GLU 25 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3hfw h GLU 25 Cb 2.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.31 3hfw h GLU 25 CO 0.10 0.21 0.00 1.19 -0.73 0.00 0.00 179.01 179.78 3hfw n PHE 26 N -5.03 0.16 -2.74 0.92 3.72 -1.05 -4.49 117.46 108.96 3hfw n PHE 26 Ca 0.05 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 3hfw n PHE 26 Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3hfw n PHE 26 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hfw s LEU 27 N -1.74 4.21 0.00 4.37 1.43 -1.02 -4.93 118.68 121.00 3hfw s LEU 27 Ca 0.34 1.42 0.22 0.00 -1.03 0.00 0.00 54.13 55.08 3hfw s LEU 27 Cb 0.20 -3.47 0.51 0.00 0.03 0.00 0.00 46.19 43.46 3hfw s LEU 27 CO 0.30 -0.47 1.44 0.00 0.23 0.00 0.00 176.35 177.85 3hfw n GLN 28 N 5.26 2.26 -3.73 1.70 6.02 -1.26 -4.38 117.38 123.25 3hfw n GLN 28 Ca 0.08 -1.90 -0.37 0.00 -0.01 0.00 0.00 57.00 54.80 3hfw n GLN 28 Cb 0.48 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 30.16 3hfw n GLN 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hfw s ASP 29 N -1.54 5.32 0.40 1.08 -1.08 -1.26 -4.39 116.67 115.20 3hfw s ASP 29 Ca 0.36 -2.21 0.08 0.00 -0.52 0.00 0.00 52.55 50.26 3hfw s ASP 29 Cb 0.21 -1.86 0.84 0.00 -1.46 0.00 0.00 42.92 40.65 3hfw s ASP 29 CO 0.30 -0.52 2.02 1.23 0.52 0.00 0.00 175.17 178.71 3hfw h GLY 30 N 7.87 0.69 1.08 2.66 0.00 -1.85 -1.44 103.07 112.08 3hfw h GLY 30 Ca -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3hfw h GLY 30 CO 0.72 0.21 0.47 0.83 0.00 0.00 0.00 176.54 178.77 3hfw h GLU 31 N 0.60 1.20 -0.34 4.80 5.08 -1.93 -0.91 114.58 123.08 3hfw h GLU 31 Ca 0.22 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 3hfw h GLU 31 Cb 0.11 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3hfw h GLU 31 CO -0.06 0.88 -0.46 -0.22 -1.00 0.00 0.00 179.01 178.16 3hfw h LYS 32 N 1.21 0.92 -0.21 2.33 3.64 -1.72 -0.95 116.57 121.78 3hfw h LYS 32 Ca 0.30 -0.53 0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3hfw h LYS 32 Cb 0.03 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3hfw h LYS 32 CO -0.05 1.17 0.10 0.82 -2.27 0.00 0.00 179.45 179.22 3hfw h ILE 33 N 0.73 0.98 -0.96 2.00 2.04 -1.11 -0.84 117.51 120.35 3hfw h ILE 33 Ca 0.04 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3hfw h ILE 33 Cb 1.06 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3hfw h ILE 33 CO 0.11 0.04 0.62 0.45 0.00 0.00 0.00 178.15 179.37 3hfw h HIS 34 N 0.21 1.22 -0.50 1.37 3.86 -1.03 0.77 115.15 121.05 3hfw h HIS 34 Ca 0.09 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3hfw h HIS 34 Cb 0.03 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.07 3hfw h HIS 34 CO -0.10 0.78 0.25 0.00 0.86 0.00 0.00 177.93 179.72 3hfw h ARG 35 N 1.31 0.71 -0.20 2.45 3.08 -0.88 -1.82 114.38 119.02 3hfw h ARG 35 Ca 0.35 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 3hfw h ARG 35 Cb -0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3hfw h ARG 35 CO -0.07 0.58 -0.26 1.96 -1.07 0.00 0.00 179.97 181.11 3hfw h GLN 36 N 0.66 0.38 -0.71 0.04 4.20 -0.67 -1.78 115.11 117.23 3hfw h GLN 36 Ca 0.17 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hfw h GLN 36 Cb 0.10 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3hfw h GLN 36 CO -0.02 0.62 0.45 1.25 -0.67 0.00 0.00 178.83 180.45 3hfw h LEU 37 N 0.34 0.83 -0.52 1.46 5.85 -0.72 -1.47 115.31 121.07 3hfw h LEU 37 Ca 0.05 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 3hfw h LEU 37 Cb 0.64 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3hfw h LEU 37 CO 0.05 0.62 -0.14 0.00 -0.34 0.00 0.00 178.44 178.62 3hfw h ALA 38 N 1.24 0.72 -0.06 1.25 0.00 -0.97 0.21 119.26 121.66 3hfw h ALA 38 Ca 0.26 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hfw h ALA 38 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hfw h ALA 38 CO -0.05 0.66 -0.26 0.37 0.00 0.00 0.00 179.25 179.97 3hfw h GLN 39 N 0.89 0.10 0.00 0.00 4.15 -1.07 -1.38 115.11 117.80 3hfw h GLN 39 Ca 0.13 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3hfw h GLN 39 Cb 0.72 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.40 3hfw h GLN 39 CO 0.06 0.36 0.00 1.28 -1.93 0.00 0.00 178.83 178.60 3hfw n LEU 40 N -4.19 0.00 0.00 -2.39 4.77 -0.58 -4.87 117.00 109.74 3hfw n LEU 40 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3hfw n LEU 40 Cb 0.34 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hfw n LEU 40 CO 0.38 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3hfw n GLY 41 N 0.84 0.90 0.00 -0.72 0.00 -0.52 -4.72 105.19 100.97 3hfw n GLY 41 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3hfw n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfw n GLY 42 N -1.51 -0.87 0.37 -0.02 0.00 0.03 -4.30 105.19 98.89 3hfw n GLY 42 Ca 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 3hfw n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hfw h LEU 43 N 0.00 1.14 -2.22 0.99 5.85 -1.95 -1.30 115.31 117.82 3hfw h LEU 43 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3hfw h LEU 43 Cb 0.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 3hfw h LEU 43 CO 0.00 0.82 -0.06 0.44 -0.34 0.00 0.00 178.44 179.31 3hfw h ASP 44 N 1.35 0.00 0.75 1.25 3.32 -1.98 -1.98 116.42 119.13 3hfw h ASP 44 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3hfw h ASP 44 Cb -0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3hfw h ASP 44 CO -0.08 0.06 -0.33 0.00 -1.72 0.00 0.00 179.24 177.17 3hfw n ALA 45 N -2.23 3.02 -2.46 3.45 0.00 -0.50 -4.78 120.51 117.01 3hfw n ALA 45 Ca -0.02 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 3hfw n ALA 45 Cb 0.17 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 3hfw n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hfw s LEU 46 N -3.22 4.34 -0.22 0.00 1.43 -0.75 -4.98 118.68 115.29 3hfw s LEU 46 Ca 0.11 1.92 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 3hfw s LEU 46 Cb 0.17 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 3hfw s LEU 46 CO 0.64 -0.49 -0.03 -0.62 0.23 0.00 0.00 176.35 176.07 3hfw s ASP 47 N 1.22 4.38 0.00 2.29 -1.08 -1.26 -3.20 116.67 119.02 3hfw s ASP 47 Ca 0.57 -0.37 0.21 0.00 -0.52 0.00 0.00 52.55 52.44 3hfw s ASP 47 Cb -0.27 -1.75 1.04 0.00 -1.46 0.00 0.00 42.92 40.48 3hfw s ASP 47 CO 0.27 -0.01 1.70 1.33 0.52 0.00 0.00 175.17 178.97 3hfw n VAL 48 N 4.75 0.07 -0.33 1.11 0.24 -0.77 -4.34 118.33 119.07 3hfw n VAL 48 Ca -0.18 -0.13 0.25 0.00 -2.04 0.00 0.00 64.34 62.24 3hfw n VAL 48 Cb 0.51 -0.04 0.49 0.00 -1.47 0.00 0.00 33.84 33.33 3hfw n VAL 48 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hfw h GLY 49 N 5.22 2.04 -1.09 7.63 0.00 -1.83 -0.47 103.07 114.56 3hfw h GLY 49 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3hfw h GLY 49 CO 0.00 -0.59 0.00 0.54 0.00 0.00 0.00 176.54 176.49 3hfw n ARG 50 N -5.16 2.89 -3.44 4.80 1.74 -1.26 -4.82 116.66 111.41 3hfw n ARG 50 Ca 0.33 -1.98 -0.43 0.00 -0.77 0.00 0.00 57.85 54.99 3hfw n ARG 50 Cb 1.05 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 31.19 3hfw n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hfw s TRP 51 N -1.01 3.39 0.47 -1.55 0.52 -0.19 -4.92 118.94 115.65 3hfw s TRP 51 Ca 0.20 -1.70 -0.24 0.00 0.02 0.00 0.00 56.10 54.38 3hfw s TRP 51 Cb 0.10 -3.64 -0.07 0.00 -1.15 0.00 0.00 33.47 28.71 3hfw s TRP 51 CO 0.13 -1.00 1.39 1.03 0.02 0.00 0.00 176.95 178.53 3hfw s ARG 52 N 1.26 3.59 0.83 4.98 0.52 -1.26 -4.69 118.95 124.18 3hfw s ARG 52 Ca 0.07 2.32 -0.11 0.00 -0.52 0.00 0.00 55.73 57.49 3hfw s ARG 52 Cb -0.26 -2.56 0.09 0.00 0.52 0.00 0.00 34.95 32.74 3hfw s ARG 52 CO -0.00 -0.86 1.09 0.14 0.02 0.00 0.00 175.30 175.69 3hfw s VAL 53 N -1.24 2.99 0.00 3.52 -7.23 -1.26 -4.49 120.40 112.69 3hfw s VAL 53 Ca 0.63 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 3hfw s VAL 53 Cb -0.42 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.66 3hfw s VAL 53 CO 0.53 -0.42 0.00 -1.54 -0.31 0.00 0.00 175.10 173.36 3hfw n SER 54 N -3.67 1.04 -0.27 4.85 3.41 -1.26 -4.84 113.62 112.88 3hfw n SER 54 Ca 0.08 -0.88 0.26 0.00 -0.26 0.00 0.00 58.87 58.06 3hfw n SER 54 Cb 0.55 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.10 3hfw n SER 54 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3hfw h ASP 55 N 0.00 0.26 0.17 4.04 2.03 -1.83 -2.55 116.42 118.54 3hfw h ASP 55 Ca 0.00 0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.33 3hfw h ASP 55 Cb 0.00 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3hfw h ASP 55 CO 0.00 0.07 -0.08 0.44 -1.03 0.00 0.00 179.24 178.63 3hfw h ASP 56 N 0.24 -0.20 -0.31 4.15 3.32 -1.92 -0.23 116.42 121.47 3hfw h ASP 56 Ca 0.53 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.43 3hfw h ASP 56 Cb 1.62 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 3hfw h ASP 56 CO -0.15 -0.14 -0.37 0.74 -1.72 0.00 0.00 179.24 177.60 3hfw h THR 57 N -0.23 1.28 -0.90 0.35 2.02 -1.82 -1.11 112.91 112.49 3hfw h THR 57 Ca -0.02 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.63 3hfw h THR 57 Cb 0.18 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 3hfw h THR 57 CO 0.04 0.51 0.60 0.58 0.37 0.00 0.00 175.52 177.61 3hfw h VAL 58 N 0.70 1.22 0.01 3.16 2.07 -1.22 0.16 116.25 122.36 3hfw h VAL 58 Ca 0.06 -0.42 -0.21 0.00 0.82 0.00 0.00 66.70 66.95 3hfw h VAL 58 Cb 0.94 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3hfw h VAL 58 CO 0.09 0.22 -0.93 0.24 0.02 0.00 0.00 177.57 177.21 3hfw h MET 59 N 1.21 0.28 -0.37 1.57 2.07 -0.95 -2.14 114.93 116.61 3hfw h MET 59 Ca 0.33 -0.31 -0.08 0.00 -2.07 0.00 0.00 59.70 57.57 3hfw h MET 59 Cb -0.13 0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 3hfw h MET 59 CO -0.08 1.03 -0.07 1.25 1.07 0.00 0.00 176.91 180.12 3hfw h HIS 60 N 0.15 0.78 -0.77 -0.22 6.17 -0.80 -0.57 115.15 119.90 3hfw h HIS 60 Ca -0.06 -0.16 -0.00 0.00 0.71 0.00 0.00 60.37 60.86 3hfw h HIS 60 Cb 1.57 -0.19 -0.04 0.00 2.52 0.00 0.00 27.41 31.27 3hfw h HIS 60 CO 0.04 0.83 0.47 -0.07 0.71 0.00 0.00 177.93 179.92 3hfw h LEU 61 N 0.50 0.91 -0.63 0.26 3.38 -1.01 -0.86 115.31 117.86 3hfw h LEU 61 Ca 0.10 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hfw h LEU 61 Cb 0.57 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hfw h LEU 61 CO 0.03 0.70 0.25 0.00 0.09 0.00 0.00 178.44 179.50 3hfw h ALA 62 N 1.46 0.81 -0.11 1.53 0.00 -0.89 0.18 119.26 122.24 3hfw h ALA 62 Ca 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hfw h ALA 62 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3hfw h ALA 62 CO -0.05 0.43 0.05 1.15 0.00 0.00 0.00 179.25 180.83 3hfw h THR 63 N 0.88 1.12 -0.41 0.00 2.02 -0.87 -2.26 112.91 113.39 3hfw h THR 63 Ca 0.21 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3hfw h THR 63 Cb 0.21 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3hfw h THR 63 CO -0.02 0.11 0.23 0.00 0.37 0.00 0.00 175.52 176.21 3hfw h ALA 64 N 0.92 0.53 -0.78 6.16 0.00 -0.96 -1.57 119.26 123.56 3hfw h ALA 64 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hfw h ALA 64 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hfw h ALA 64 CO -0.00 0.05 0.28 0.93 0.00 0.00 0.00 179.25 180.50 3hfw h GLU 65 N 0.53 1.19 -0.92 0.00 5.08 -0.66 -1.75 114.58 118.05 3hfw h GLU 65 Ca 0.15 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3hfw h GLU 65 Cb 0.05 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3hfw h GLU 65 CO -0.02 0.98 0.57 0.00 -1.00 0.00 0.00 179.01 179.54 3hfw h ALA 66 N 1.15 1.27 -0.52 3.43 0.00 -1.04 0.30 119.26 123.85 3hfw h ALA 66 Ca 0.25 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hfw h ALA 66 Cb 0.27 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hfw h ALA 66 CO -0.01 0.64 0.04 -0.07 0.00 0.00 0.00 179.25 179.85 3hfw h LEU 67 N 1.27 0.85 -0.33 0.00 3.38 -0.96 -0.32 115.31 119.20 3hfw h LEU 67 Ca 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3hfw h LEU 67 Cb -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3hfw h LEU 67 CO -0.06 0.92 0.08 0.58 0.09 0.00 0.00 178.44 180.05 3hfw h VAL 68 N 0.76 1.22 -0.57 1.22 2.07 -1.05 -2.80 116.25 117.10 3hfw h VAL 68 Ca 0.15 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 3hfw h VAL 68 Cb 0.46 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3hfw h VAL 68 CO 0.02 0.25 0.25 -0.33 0.02 0.00 0.00 177.57 177.78 3hfw h GLU 69 N 0.38 0.81 0.00 1.57 5.08 -0.76 -2.59 114.58 119.08 3hfw h GLU 69 Ca 0.10 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3hfw h GLU 69 Cb 0.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hfw h GLU 69 CO 0.00 0.65 -0.24 0.00 -1.00 0.00 0.00 179.01 178.42 3hfw h ALA 70 N 1.47 1.50 -0.11 3.43 0.00 -0.85 -3.48 119.26 121.22 3hfw h ALA 70 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hfw h ALA 70 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hfw h ALA 70 CO -0.02 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.94 3hfw n GLY 71 N -0.73 -1.42 3.77 0.00 0.00 -0.98 -4.48 105.19 101.35 3hfw n GLY 71 Ca -0.02 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 3hfw n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfw s LYS 72 N 0.00 4.63 -1.42 1.61 1.02 -1.26 -3.95 119.74 120.37 3hfw s LYS 72 Ca 0.00 1.46 -0.01 0.00 0.02 0.00 0.00 55.97 57.45 3hfw s LYS 72 Cb 0.00 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 3hfw s LYS 72 CO 0.00 0.30 0.40 0.00 -0.92 0.00 0.00 175.35 175.13 3hfw n ALA 73 N 0.86 -1.99 -1.55 5.17 0.00 -1.26 -4.88 120.51 116.87 3hfw n ALA 73 Ca 0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.85 3hfw n ALA 73 Cb 0.48 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.48 3hfw n ALA 73 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hfw s PRO 74 N -6.61 2.92 0.05 0.00 0.04 -1.25 -4.56 135.00 125.59 3hfw s PRO 74 Ca 0.02 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 3hfw s PRO 74 Cb -0.01 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3hfw s PRO 74 CO 0.90 -1.15 1.05 0.15 0.04 0.00 0.00 177.00 177.99 3hfw s LYS 75 N -4.13 4.55 0.44 4.56 1.02 -1.26 -1.35 119.74 123.57 3hfw s LYS 75 Ca 0.66 1.56 0.12 0.00 0.02 0.00 0.00 55.97 58.32 3hfw s LYS 75 Cb -0.19 -3.39 0.99 0.00 -0.52 0.00 0.00 37.83 34.71 3hfw s LYS 75 CO 0.41 -0.05 2.04 -0.07 -0.92 0.00 0.00 175.35 176.76 3hfw h LEU 76 N 6.41 0.19 -1.10 3.17 3.38 -1.50 -1.25 115.31 124.60 3hfw h LEU 76 Ca -0.42 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.57 3hfw h LEU 76 Cb 1.22 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 3hfw h LEU 76 CO 0.76 0.22 0.61 0.71 0.09 0.00 0.00 178.44 180.83 3hfw h THR 77 N 0.21 1.15 -0.27 0.22 1.35 -1.90 0.10 112.91 113.78 3hfw h THR 77 Ca 0.05 -0.40 -0.14 0.00 -0.55 0.00 0.00 66.41 65.37 3hfw h THR 77 Cb 0.14 -0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 66.45 3hfw h THR 77 CO 0.00 0.21 -0.38 -0.61 -0.25 0.00 0.00 175.52 174.49 3hfw h GLN 78 N 1.16 0.73 -0.30 4.72 5.75 -1.72 -2.10 115.11 123.34 3hfw h GLN 78 Ca 0.37 -0.43 -0.13 0.00 -0.15 0.00 0.00 58.65 58.32 3hfw h GLN 78 Cb 0.03 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3hfw h GLN 78 CO -0.12 1.05 -0.33 1.25 -2.65 0.00 0.00 178.83 178.04 3hfw h LEU 79 N 0.47 0.68 -0.61 -2.39 5.85 -0.94 -1.79 115.31 116.59 3hfw h LEU 79 Ca 0.03 -0.28 -0.15 0.00 0.84 0.00 0.00 57.88 58.32 3hfw h LEU 79 Cb 0.97 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3hfw h LEU 79 CO 0.09 0.96 -0.69 1.88 -0.34 0.00 0.00 178.44 180.34 3hfw h TYR 80 N 0.56 0.06 0.15 1.25 0.05 -0.76 -0.13 116.97 118.15 3hfw h TYR 80 Ca 0.06 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3hfw h TYR 80 Cb 0.83 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.56 3hfw h TYR 80 CO 0.04 0.71 -0.07 -0.92 -1.05 0.00 0.00 178.16 176.87 3hfw h TYR 81 N 0.03 -0.19 -0.73 4.88 3.20 -1.12 -1.08 116.97 121.96 3hfw h TYR 81 Ca -0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 3hfw h TYR 81 Cb 1.21 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 3hfw h TYR 81 CO 0.00 -0.05 0.33 -0.07 -1.64 0.00 0.00 178.16 176.73 3hfw h LEU 82 N -0.28 0.97 -0.28 2.82 3.38 -1.12 0.56 115.31 121.36 3hfw h LEU 82 Ca -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hfw h LEU 82 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hfw h LEU 82 CO 0.03 0.85 0.09 -0.07 0.09 0.00 0.00 178.44 179.43 3hfw h LEU 83 N 1.03 0.40 -0.37 1.67 3.38 -0.96 -0.57 115.31 119.88 3hfw h LEU 83 Ca 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hfw h LEU 83 Cb 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hfw h LEU 83 CO -0.03 0.49 0.21 0.00 0.09 0.00 0.00 178.44 179.20 3hfw h ALA 84 N 0.92 0.47 -0.04 1.53 0.00 -0.90 0.84 119.26 122.09 3hfw h ALA 84 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hfw h ALA 84 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hfw h ALA 84 CO -0.00 -0.01 -0.08 -0.22 0.00 0.00 0.00 179.25 178.94 3hfw h LYS 85 N 0.47 -0.11 -0.45 0.00 1.63 -0.78 -1.02 116.57 116.30 3hfw h LYS 85 Ca 0.13 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 3hfw h LYS 85 Cb 0.05 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3hfw h LYS 85 CO -0.02 -0.07 0.15 0.45 -3.45 0.00 0.00 179.45 176.51 3hfw h HIS 86 N -0.11 0.72 -0.46 1.91 3.86 -0.90 -0.23 115.15 119.94 3hfw h HIS 86 Ca 0.04 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 3hfw h HIS 86 Cb 0.17 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3hfw h HIS 86 CO -0.16 0.64 0.26 1.88 0.86 0.00 0.00 177.93 181.41 3hfw h TYR 87 N 0.60 0.49 -0.07 2.45 0.05 -0.71 -0.42 116.97 119.35 3hfw h TYR 87 Ca 0.15 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 3hfw h TYR 87 Cb 0.25 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 3hfw h TYR 87 CO 0.01 0.27 0.03 0.37 -1.05 0.00 0.00 178.16 177.79 3hfw h GLN 88 N 0.52 0.10 -0.35 4.88 4.15 -0.97 -3.24 115.11 120.20 3hfw h GLN 88 Ca 0.19 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 3hfw h GLN 88 Cb 0.05 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3hfw h GLN 88 CO -0.10 0.21 -0.18 -0.44 -1.93 0.00 0.00 178.83 176.39 3hfw h ASP 89 N -0.03 0.64 0.69 -0.69 3.32 -0.83 -2.66 116.42 116.86 3hfw h ASP 89 Ca 0.02 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3hfw h ASP 89 Cb 0.14 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3hfw h ASP 89 CO -0.00 0.83 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 3hfw n MET 91 N -2.32 0.19 0.00 0.00 2.81 -1.00 -1.17 117.12 115.62 3hfw n MET 91 Ca 0.02 0.49 0.11 0.00 -1.81 0.00 0.00 57.70 56.51 3hfw n MET 91 Cb 0.22 -1.92 0.54 0.00 -0.71 0.00 0.00 33.22 31.35 3hfw n MET 91 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3hfw n GLU 92 N -2.28 0.13 -2.37 0.03 -0.58 -0.59 -3.81 120.64 111.17 3hfw n GLU 92 Ca 0.01 0.08 -0.29 0.00 -0.42 0.00 0.00 57.16 56.55 3hfw n GLU 92 Cb 0.18 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.55 3hfw n GLU 92 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3hfw n ASP 93 N -1.42 5.12 -0.08 1.62 2.03 -0.32 -4.73 116.55 118.77 3hfw n ASP 93 Ca 0.08 -3.74 0.01 0.00 0.52 0.00 0.00 54.79 51.66 3hfw n ASP 93 Cb 0.24 -0.54 0.02 0.00 -0.72 0.00 0.00 41.12 40.12 3hfw n ASP 93 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3hfw n MET 94 N -0.50 1.96 -1.68 -0.67 2.81 -1.25 -4.95 117.12 112.85 3hfw n MET 94 Ca 0.41 -1.31 -0.45 0.00 -1.81 0.00 0.00 57.70 54.55 3hfw n MET 94 Cb 0.62 -1.03 -0.04 0.00 -0.71 0.00 0.00 33.22 32.06 3hfw n MET 94 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hfw n ASP 95 N -0.24 3.74 -0.16 7.83 2.03 -1.26 -1.29 116.55 127.20 3hfw n ASP 95 Ca 0.01 0.97 -0.02 0.00 0.52 0.00 0.00 54.79 56.27 3hfw n ASP 95 Cb 0.21 -1.46 -0.01 0.00 -0.72 0.00 0.00 41.12 39.14 3hfw n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hfw n GLY 96 N 4.29 0.42 0.83 0.27 0.00 -1.26 -4.88 105.19 104.86 3hfw n GLY 96 Ca 0.20 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3hfw n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfw n ARG 97 N -1.19 1.86 -3.68 1.61 1.74 -0.41 -4.83 116.66 111.76 3hfw n ARG 97 Ca -0.02 -1.73 -0.28 0.00 -0.77 0.00 0.00 57.85 55.05 3hfw n ARG 97 Cb 0.29 -1.39 0.04 0.00 -1.02 0.00 0.00 32.46 30.37 3hfw n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hfw n ALA 98 N 1.16 -2.39 -1.75 7.54 0.00 -1.26 -2.91 120.51 120.89 3hfw n ALA 98 Ca 0.12 -0.20 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 3hfw n ALA 98 Cb 0.51 -3.61 0.03 0.00 0.00 0.00 0.00 19.45 16.38 3hfw n ALA 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hfw s PRO 99 N -5.92 3.17 0.58 0.00 0.04 -1.26 -4.77 135.00 126.85 3hfw s PRO 99 Ca 0.34 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 3hfw s PRO 99 Cb -0.11 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3hfw s PRO 99 CO 0.85 -1.08 1.10 0.20 0.04 0.00 0.00 177.00 178.11 3hfw s GLY 100 N -1.33 2.40 0.01 0.56 0.00 -1.26 -4.90 107.32 102.80 3hfw s GLY 100 Ca 0.73 0.65 -0.25 0.00 0.00 0.00 0.00 44.72 45.85 3hfw s GLY 100 CO 0.38 1.00 1.38 -1.33 0.00 0.00 0.00 173.10 174.53 3hfw h GLY 101 N 0.76 -0.08 1.13 0.20 0.00 -2.00 -1.55 103.07 101.53 3hfw h GLY 101 Ca -0.48 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3hfw h GLY 101 CO 0.56 -0.03 0.32 0.00 0.00 0.00 0.00 176.54 177.40 3hfw h ALA 102 N 0.51 1.13 0.53 3.60 0.00 -1.92 -1.92 119.26 121.19 3hfw h ALA 102 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hfw h ALA 102 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hfw h ALA 102 CO 0.01 0.63 -0.38 0.77 0.00 0.00 0.00 179.25 180.28 3hfw h SER 103 N 1.10 -0.98 -0.14 0.00 0.02 -1.79 -0.55 113.55 111.21 3hfw h SER 103 Ca 0.26 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 3hfw h SER 103 Cb 0.18 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 3hfw h SER 103 CO -0.03 -0.57 -0.11 1.62 -1.14 0.00 0.00 176.83 176.60 3hfw h VAL 104 N -0.88 1.34 0.25 2.27 3.04 -1.30 -1.69 116.25 119.29 3hfw h VAL 104 Ca -0.06 -1.24 -0.00 0.00 -1.01 0.00 0.00 66.70 64.39 3hfw h VAL 104 Cb 0.74 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.86 3hfw h VAL 104 CO 0.03 0.36 -0.21 -0.74 -1.01 0.00 0.00 177.57 176.00 3hfw h HIS 105 N -0.05 -0.55 -0.02 3.17 2.76 -1.34 -2.68 115.15 116.44 3hfw h HIS 105 Ca 0.02 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.01 3hfw h HIS 105 Cb 0.63 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 3hfw h HIS 105 CO 0.08 -0.32 -0.80 -0.91 -1.30 0.00 0.00 177.93 174.68 3hfw h ASN 106 N -0.48 0.29 -0.65 3.26 -0.26 -1.15 -2.75 115.58 113.85 3hfw h ASN 106 Ca -0.01 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.51 3hfw h ASN 106 Cb 0.43 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 3hfw h ASN 106 CO -0.02 0.97 0.38 0.00 -1.06 0.00 0.00 177.43 177.70 3hfw h ALA 107 N 1.02 1.43 0.00 -0.83 0.00 -1.31 -1.84 119.26 117.72 3hfw h ALA 107 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hfw h ALA 107 Cb 1.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hfw h ALA 107 CO 0.12 0.49 0.00 0.52 0.00 0.00 0.00 179.25 180.38 3hfw h MET 108 N 0.91 0.00 0.00 0.00 2.86 -1.32 -2.87 114.93 114.51 3hfw h MET 108 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3hfw h MET 108 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3hfw h MET 108 CO -0.04 0.00 0.00 0.37 1.06 0.00 0.00 176.91 178.30 3hfw h GLN 109 N 0.00 0.00 -7.18 1.72 4.15 -1.04 -3.48 115.11 109.27 3hfw h GLN 109 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 3hfw h GLN 109 Cb 0.77 0.00 0.13 0.00 0.21 0.00 0.00 27.48 28.59 3hfw h GLN 109 CO 0.00 0.00 0.39 -0.51 -1.93 0.00 0.00 178.83 176.78 3hfw s LEU 110 N -5.35 3.36 -0.53 -2.39 1.43 -1.08 -4.99 118.68 109.13 3hfw s LEU 110 Ca 0.08 2.20 0.07 0.00 -1.03 0.00 0.00 54.13 55.45 3hfw s LEU 110 Cb 0.09 -4.57 0.26 0.00 0.03 0.00 0.00 46.19 41.99 3hfw s LEU 110 CO 0.62 -1.96 0.67 0.29 0.23 0.00 0.00 176.35 176.19 3hfw n LYS 111 N -2.54 1.78 -2.79 1.70 4.76 -0.03 -5.03 118.16 116.01 3hfw n LYS 111 Ca 0.12 -4.06 -0.35 0.00 -2.87 0.00 0.00 58.31 51.16 3hfw n LYS 111 Cb 0.51 -1.82 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 3hfw n LYS 111 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3hfw s PRO 112 N -2.00 4.34 0.00 1.97 0.04 -1.26 -1.71 135.00 136.39 3hfw s PRO 112 Ca 0.38 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3hfw s PRO 112 Cb 0.17 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3hfw s PRO 112 CO -0.06 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.46 3hfw n GLY 113 N -0.16 2.09 3.77 0.56 0.00 -1.26 -5.02 105.19 105.17 3hfw n GLY 113 Ca 0.05 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3hfw n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfw s LYS 114 N 0.00 4.40 0.33 1.61 1.02 -0.69 -4.96 119.74 121.44 3hfw s LYS 114 Ca 0.00 1.56 -0.29 0.00 0.02 0.00 0.00 55.97 57.26 3hfw s LYS 114 Cb 0.00 -2.80 -0.12 0.00 -0.52 0.00 0.00 37.83 34.40 3hfw s LYS 114 CO 0.00 0.05 1.50 -2.30 -0.92 0.00 0.00 175.35 173.69 3hfw n PRO 115 N 0.45 2.56 -1.90 -1.68 -0.02 -1.26 -0.85 135.00 132.30 3hfw n PRO 115 Ca 0.02 0.91 -0.12 0.00 -2.02 0.00 0.00 63.50 62.29 3hfw n PRO 115 Cb 0.48 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 3hfw n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hfw n ASN 116 N 1.36 -3.47 0.00 2.55 3.02 -1.26 -4.82 115.26 112.63 3hfw n ASN 116 Ca 0.06 0.25 0.09 0.00 -0.03 0.00 0.00 54.58 54.94 3hfw n ASN 116 Cb 0.37 -3.11 0.42 0.00 -0.61 0.00 0.00 39.78 36.85 3hfw n ASN 116 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hfw n GLY 117 N -0.51 -0.98 1.06 7.41 0.00 -0.03 -1.80 105.19 110.34 3hfw n GLY 117 Ca -0.13 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.93 3hfw n GLY 117 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3hfw n TRP 118 N -1.38 0.45 -3.46 1.61 4.27 -1.26 -0.85 117.44 116.82 3hfw n TRP 118 Ca 0.07 -0.22 -0.35 0.00 -3.89 0.00 0.00 57.50 53.10 3hfw n TRP 118 Cb 0.17 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.06 3hfw n TRP 118 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 3hfw s ARG 119 N -1.55 3.87 0.19 -2.67 0.52 -0.75 -4.40 118.95 114.17 3hfw s ARG 119 Ca 0.38 0.33 0.06 0.00 -0.52 0.00 0.00 55.73 55.98 3hfw s ARG 119 Cb 0.22 -2.96 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 3hfw s ARG 119 CO 0.31 0.52 -0.10 0.96 0.02 0.00 0.00 175.30 177.00 3hfw s ILE 120 N -1.44 1.44 0.70 1.52 -4.36 -1.26 -5.00 121.20 112.80 3hfw s ILE 120 Ca 0.36 -2.13 -0.14 0.00 -0.26 0.00 0.00 60.65 58.48 3hfw s ILE 120 Cb -0.14 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.54 3hfw s ILE 120 CO 0.19 -0.59 1.11 -2.84 0.24 0.00 0.00 174.94 173.04 3hfw s PRO 121 N -3.71 2.62 0.44 0.37 0.02 -1.26 -4.95 135.00 128.52 3hfw s PRO 121 Ca 0.22 1.33 -0.25 0.00 0.02 0.00 0.00 61.00 62.32 3hfw s PRO 121 Cb 0.02 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 3hfw s PRO 121 CO 0.05 -1.39 1.32 0.34 -0.33 0.00 0.00 177.00 176.99 3hfw n PHE 122 N -2.76 2.29 -3.81 6.54 7.35 -1.26 -4.66 117.46 121.14 3hfw n PHE 122 Ca 0.10 0.48 -0.13 0.00 -0.76 0.00 0.00 57.45 57.13 3hfw n PHE 122 Cb 0.52 -2.40 -0.15 0.00 0.35 0.00 0.00 39.48 37.81 3hfw n PHE 122 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3hfw s ASN 123 N -0.55 -0.01 0.63 -2.13 3.84 -0.57 -5.04 114.94 111.11 3hfw s ASN 123 Ca 0.62 0.09 0.41 0.00 0.21 0.00 0.00 52.86 54.19 3hfw s ASN 123 Cb -0.48 0.04 2.05 0.00 -0.55 0.00 0.00 41.25 42.30 3hfw s ASN 123 CO 0.57 -0.07 2.23 0.28 -2.79 0.00 0.00 177.10 177.32 3hfw h SER 124 N 6.68 0.00 -0.28 -4.21 0.02 -1.96 -2.96 113.55 110.83 3hfw h SER 124 Ca -0.34 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.51 3hfw h SER 124 Cb 1.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 3hfw h SER 124 CO 0.48 0.00 -0.04 1.41 -1.14 0.00 0.00 176.83 177.54 3hfw n HIS 125 N -3.08 0.93 -1.42 3.45 8.25 -1.26 -4.67 115.22 117.42 3hfw n HIS 125 Ca -0.02 -1.25 -0.28 0.00 -0.26 0.00 0.00 57.72 55.91 3hfw n HIS 125 Cb 0.16 -0.39 0.10 0.00 1.12 0.00 0.00 29.99 30.98 3hfw n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3hfw n GLU 126 N -0.90 2.65 -0.07 -0.41 1.02 -1.12 -4.55 120.64 117.25 3hfw n GLU 126 Ca 0.27 -3.35 0.12 0.00 -0.02 0.00 0.00 57.16 54.18 3hfw n GLU 126 Cb 0.94 -2.22 0.34 0.00 -0.02 0.00 0.00 31.44 30.48 3hfw n GLU 126 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hfw n GLY 127 N -0.96 0.59 3.52 0.62 0.00 -1.26 -3.95 105.19 103.75 3hfw n GLY 127 Ca 0.57 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3hfw n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hfw s GLY 128 N -1.71 1.57 0.00 -0.02 0.00 -1.26 -1.07 107.32 104.82 3hfw s GLY 128 Ca 0.34 0.00 0.24 0.00 0.00 0.00 0.00 44.72 45.31 3hfw s GLY 128 CO 0.29 0.68 1.79 0.00 0.00 0.00 0.00 173.10 175.86 3hfw h GLY 130 N 3.80 0.15 0.94 0.00 0.00 -1.92 0.13 103.07 106.17 3hfw h GLY 130 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 3hfw h GLY 130 CO 0.00 0.05 -0.39 0.00 0.00 0.00 0.00 176.54 176.20 3hfw h ALA 131 N 1.93 0.32 -0.56 3.60 0.00 -1.83 -3.34 119.26 119.38 3hfw h ALA 131 Ca 0.04 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3hfw h ALA 131 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hfw h ALA 131 CO -0.01 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.63 3hfw h ALA 132 N 0.60 0.90 0.00 0.00 0.00 -1.60 -3.15 119.26 116.01 3hfw h ALA 132 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hfw h ALA 132 Cb 0.99 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hfw h ALA 132 CO 0.09 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.99 3hfw h MET 133 N 0.90 0.00 -0.05 0.00 -0.00 -1.10 -3.07 114.93 111.61 3hfw h MET 133 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.86 3hfw h MET 133 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 3hfw h MET 133 CO 0.03 0.00 0.00 2.89 -0.00 0.00 0.00 176.91 179.83 3hfw n ARG 134 N -2.67 1.81 0.01 -0.10 1.85 -1.19 -4.64 116.66 111.72 3hfw n ARG 134 Ca 0.01 -1.30 0.11 0.00 -1.00 0.00 0.00 57.85 55.67 3hfw n ARG 134 Cb 0.23 -1.05 -0.06 0.00 -1.05 0.00 0.00 32.46 30.53 3hfw n ARG 134 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hfw n ALA 135 N -0.17 3.85 -0.27 2.89 0.00 -1.16 -4.50 120.51 121.14 3hfw n ALA 135 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.92 3hfw n ALA 135 Cb 0.21 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 18.94 3hfw n ALA 135 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hfw h MET 136 N 0.00 1.13 0.00 0.00 2.86 -1.78 -1.11 114.93 116.03 3hfw h MET 136 Ca 0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3hfw h MET 136 Cb 0.68 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3hfw h MET 136 CO 0.00 0.86 0.00 0.00 1.06 0.00 0.00 176.91 178.83 3hfw h ILE 138 N 0.00 0.91 -0.02 0.00 2.04 -1.53 0.43 117.51 119.35 3hfw h ILE 138 Ca 0.00 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 3hfw h ILE 138 Cb 0.15 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3hfw h ILE 138 CO 0.00 0.12 -0.68 1.23 0.00 0.00 0.00 178.15 178.83 3hfw h GLY 139 N 0.68 0.10 1.05 5.37 0.00 -1.17 -0.16 103.07 108.94 3hfw h GLY 139 Ca 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 3hfw h GLY 139 CO -0.15 0.13 0.19 1.41 0.00 0.00 0.00 176.54 178.12 3hfw h LEU 140 N 0.06 1.03 -0.02 3.11 3.38 -1.35 -2.83 115.31 118.69 3hfw h LEU 140 Ca -0.01 -0.22 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 3hfw h LEU 140 Cb 1.20 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.70 3hfw h LEU 140 CO 0.09 0.98 -0.95 -0.09 0.09 0.00 0.00 178.44 178.56 3hfw h ARG 141 N 1.02 0.68 -2.19 1.13 9.65 -0.67 -3.38 114.38 120.61 3hfw h ARG 141 Ca 0.22 -0.70 -0.59 0.00 -1.10 0.00 0.00 59.98 57.81 3hfw h ARG 141 Cb 0.34 0.19 -0.42 0.00 -1.39 0.00 0.00 29.97 28.69 3hfw h ARG 141 CO -0.00 1.29 -0.68 1.19 2.80 0.00 0.00 179.97 184.57 3hfw n PHE 142 N -3.92 3.29 0.37 2.20 3.72 -0.10 -3.87 117.46 119.15 3hfw n PHE 142 Ca -0.11 -4.05 0.12 0.00 -0.05 0.00 0.00 57.45 53.37 3hfw n PHE 142 Cb 0.84 -0.52 0.16 0.00 -0.94 0.00 0.00 39.48 39.02 3hfw n PHE 142 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hfw h PRO 143 N 3.76 0.00 -6.97 -1.08 0.13 -1.70 -3.44 132.00 122.70 3hfw h PRO 143 Ca 0.16 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.82 3hfw h PRO 143 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3hfw h PRO 143 CO 0.79 0.00 0.38 -1.01 -0.23 0.00 0.00 178.00 177.93 3hfw s HIS 144 N -3.22 3.35 0.29 1.56 3.76 -1.26 -4.86 115.29 114.91 3hfw s HIS 144 Ca 0.05 1.67 0.03 0.00 -0.15 0.00 0.00 55.06 56.66 3hfw s HIS 144 Cb 0.10 -3.04 0.62 0.00 1.11 0.00 0.00 32.58 31.37 3hfw s HIS 144 CO 0.71 -0.37 1.83 1.25 -0.85 0.00 0.00 174.74 177.30 3hfw h HIS 145 N 2.50 1.10 -0.04 1.40 2.76 -2.00 0.06 115.15 120.93 3hfw h HIS 145 Ca -0.48 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.73 3hfw h HIS 145 Cb 1.20 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.82 3hfw h HIS 145 CO 0.59 0.40 0.10 0.66 -1.30 0.00 0.00 177.93 178.38 3hfw h SER 146 N 0.93 0.00 -0.53 3.26 4.64 -1.98 -2.22 113.55 117.64 3hfw h SER 146 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3hfw h SER 146 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3hfw h SER 146 CO -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.68 3hfw n GLN 147 N -3.36 2.55 -0.21 4.77 6.02 0.00 -4.61 117.38 122.55 3hfw n GLN 147 Ca -0.02 -2.37 -0.03 0.00 -0.01 0.00 0.00 57.00 54.57 3hfw n GLN 147 Cb 0.18 -1.53 0.07 0.00 1.02 0.00 0.00 30.24 29.99 3hfw n GLN 147 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hfw h LEU 148 N 4.25 0.50 -0.68 1.08 3.38 -1.41 0.94 115.31 123.38 3hfw h LEU 148 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hfw h LEU 148 Cb 0.95 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3hfw h LEU 148 CO 0.00 0.34 0.41 0.44 0.09 0.00 0.00 178.44 179.71 3hfw h ASP 149 N 0.64 0.82 -0.45 -0.43 3.32 -1.84 -0.81 116.42 117.66 3hfw h ASP 149 Ca 0.26 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.33 3hfw h ASP 149 Cb 0.13 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 3hfw h ASP 149 CO -0.16 0.64 0.07 0.74 -1.72 0.00 0.00 179.24 178.82 3hfw h THR 150 N 0.92 0.73 -0.78 0.35 2.02 -1.64 -1.25 112.91 113.27 3hfw h THR 150 Ca 0.24 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3hfw h THR 150 Cb -0.02 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3hfw h THR 150 CO -0.05 0.04 0.49 0.25 0.37 0.00 0.00 175.52 176.62 3hfw h LEU 151 N 0.20 0.92 -0.03 2.58 6.46 -0.20 -0.88 115.31 124.36 3hfw h LEU 151 Ca 0.23 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3hfw h LEU 151 Cb 0.30 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 3hfw h LEU 151 CO -0.31 0.70 -0.00 0.40 -0.62 0.00 0.00 178.44 178.60 3hfw h ILE 152 N 1.07 1.27 -0.12 4.05 2.04 -0.93 -1.49 117.51 123.41 3hfw h ILE 152 Ca 0.28 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3hfw h ILE 152 Cb -0.07 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3hfw h ILE 152 CO -0.06 0.22 0.06 1.56 0.00 0.00 0.00 178.15 179.94 3hfw h GLN 153 N -0.27 0.17 -0.30 2.37 4.20 -0.98 -2.00 115.11 118.30 3hfw h GLN 153 Ca 0.01 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 3hfw h GLN 153 Cb 0.36 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3hfw h GLN 153 CO 0.00 0.22 -0.46 0.28 -0.67 0.00 0.00 178.83 178.21 3hfw h VAL 154 N 0.08 1.28 -0.36 -0.54 2.07 -1.20 -0.87 116.25 116.71 3hfw h VAL 154 Ca 0.04 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 3hfw h VAL 154 Cb 0.11 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3hfw h VAL 154 CO -0.01 0.54 0.12 0.77 0.02 0.00 0.00 177.57 179.01 3hfw h SER 155 N 0.64 0.52 -0.21 0.57 4.64 -1.26 -0.31 113.55 118.13 3hfw h SER 155 Ca 0.04 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3hfw h SER 155 Cb 1.03 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3hfw h SER 155 CO 0.10 0.58 0.08 0.40 -0.87 0.00 0.00 176.83 177.13 3hfw h ILE 156 N 0.43 1.17 -0.07 0.95 2.04 -1.24 -1.62 117.51 119.16 3hfw h ILE 156 Ca 0.12 -0.50 -0.22 0.00 1.00 0.00 0.00 64.86 65.25 3hfw h ILE 156 Cb 0.25 1.11 0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3hfw h ILE 156 CO -0.00 0.16 -0.86 -0.33 0.00 0.00 0.00 178.15 177.12 3hfw h GLU 157 N 0.19 0.60 -0.62 2.37 4.39 -1.09 -1.21 114.58 119.20 3hfw h GLU 157 Ca 0.07 -0.55 0.08 0.00 0.34 0.00 0.00 59.36 59.30 3hfw h GLU 157 Cb 0.18 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 3hfw h GLU 157 CO -0.01 1.17 0.29 0.66 -1.16 0.00 0.00 179.01 179.97 3hfw h SER 158 N 0.38 0.37 -0.10 1.42 4.64 -1.07 -1.99 113.55 117.21 3hfw h SER 158 Ca -0.07 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hfw h SER 158 Cb 1.48 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3hfw h SER 158 CO 0.16 0.23 0.05 1.23 -0.87 0.00 0.00 176.83 177.63 3hfw h GLY 159 N 0.53 0.16 -0.58 -0.77 0.00 -0.96 -3.09 103.07 98.35 3hfw h GLY 159 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3hfw h GLY 159 CO -0.24 0.08 0.00 -0.96 0.00 0.00 0.00 176.54 175.41 3hfw n ARG 160 N -4.94 1.41 0.25 4.80 1.85 -0.49 -0.43 116.66 119.11 3hfw n ARG 160 Ca -0.05 -0.64 0.11 0.00 -1.00 0.00 0.00 57.85 56.27 3hfw n ARG 160 Cb 0.09 -1.17 0.66 0.00 -1.05 0.00 0.00 32.46 30.99 3hfw n ARG 160 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 3hfw h MET 161 N 1.06 0.00 0.00 2.89 2.86 -1.28 -3.37 114.93 117.10 3hfw h MET 161 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hfw h MET 161 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3hfw h MET 161 CO 0.00 0.15 -0.70 0.25 1.06 0.00 0.00 176.91 177.67 3hfw n THR 162 N -3.77 0.00 -3.69 2.22 -2.24 -0.85 -4.58 114.28 101.37 3hfw n THR 162 Ca -0.02 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 3hfw n THR 162 Cb 0.25 0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.51 3hfw n THR 162 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hfw s HIS 163 N -1.46 2.54 -1.21 4.78 3.76 0.42 -4.62 115.29 119.51 3hfw s HIS 163 Ca 0.00 -2.92 -0.12 0.00 -0.15 0.00 0.00 55.06 51.87 3hfw s HIS 163 Cb 0.00 -1.96 0.19 0.00 1.11 0.00 0.00 32.58 31.92 3hfw s HIS 163 CO 0.00 -0.66 1.48 1.58 -0.85 0.00 0.00 174.74 176.29 3hfw n HIS 164 N 2.34 4.51 -3.61 1.40 -0.00 -1.26 -3.86 115.22 114.74 3hfw n HIS 164 Ca 0.24 -3.29 -0.03 0.00 0.46 0.00 0.00 57.72 55.09 3hfw n HIS 164 Cb 0.40 -2.04 -0.06 0.00 -0.12 0.00 0.00 29.99 28.17 3hfw n HIS 164 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 3hfw s HIS 165 N 0.76 -0.88 0.41 1.57 2.46 -1.26 -1.51 115.29 116.84 3hfw s HIS 165 Ca 0.40 1.69 0.18 0.00 0.47 0.00 0.00 55.06 57.80 3hfw s HIS 165 Cb -0.01 0.53 1.08 0.00 -0.13 0.00 0.00 32.58 34.05 3hfw s HIS 165 CO -0.00 -0.44 1.81 -1.00 -2.47 0.00 0.00 174.74 172.64 3hfw h PRO 166 N 6.88 0.40 -0.50 2.88 0.13 -1.86 0.33 132.00 140.26 3hfw h PRO 166 Ca -0.26 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3hfw h PRO 166 Cb 1.18 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3hfw h PRO 166 CO 0.15 0.26 0.19 1.15 -0.23 0.00 0.00 178.00 179.53 3hfw h THR 167 N 0.41 1.19 0.30 1.56 2.02 -1.90 0.72 112.91 117.22 3hfw h THR 167 Ca 0.54 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3hfw h THR 167 Cb 1.34 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3hfw h THR 167 CO -0.24 0.23 -0.15 1.23 0.37 0.00 0.00 175.52 176.97 3hfw h GLY 168 N 0.86 -0.43 2.00 2.16 0.00 -0.49 -3.21 103.07 103.96 3hfw h GLY 168 Ca 0.17 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 3hfw h GLY 168 CO -0.01 -0.15 -0.36 0.10 0.00 0.00 0.00 176.54 176.11 3hfw h TYR 169 N -1.03 0.00 0.00 5.60 -0.00 -1.28 -2.23 116.97 118.03 3hfw h TYR 169 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.66 3hfw h TYR 169 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.17 3hfw h TYR 169 CO 0.03 0.36 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.36 3hfw h LEU 170 N 0.00 0.00 -0.64 0.10 3.38 -1.01 -2.19 115.31 114.95 3hfw h LEU 170 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3hfw h LEU 170 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3hfw h LEU 170 CO 0.05 0.12 0.03 1.23 0.09 0.00 0.00 178.44 179.96 3hfw h GLY 171 N 1.52 1.19 0.99 0.83 0.00 -1.42 -1.32 103.07 104.85 3hfw h GLY 171 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 3hfw h GLY 171 CO 0.02 0.78 0.26 0.00 0.00 0.00 0.00 176.54 177.59 3hfw h ALA 172 N 1.01 0.53 -0.22 3.60 0.00 -1.40 -1.39 119.26 121.38 3hfw h ALA 172 Ca 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hfw h ALA 172 Cb 0.53 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3hfw h ALA 172 CO 0.03 0.01 -0.12 1.25 0.00 0.00 0.00 179.25 180.42 3hfw h LEU 173 N 0.55 -0.39 -0.63 0.00 5.85 -1.20 -1.46 115.31 118.04 3hfw h LEU 173 Ca 0.15 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.00 3hfw h LEU 173 Cb -0.02 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3hfw h LEU 173 CO -0.03 -0.15 0.37 0.00 -0.34 0.00 0.00 178.44 178.29 3hfw h ALA 174 N 1.09 0.82 -0.56 1.25 0.00 -0.97 0.13 119.26 121.02 3hfw h ALA 174 Ca 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hfw h ALA 174 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hfw h ALA 174 CO -0.28 0.08 0.11 0.77 0.00 0.00 0.00 179.25 179.92 3hfw h SER 175 N 0.71 0.88 -0.06 0.00 0.02 -0.88 -1.32 113.55 112.89 3hfw h SER 175 Ca 0.26 -0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3hfw h SER 175 Cb 0.09 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.40 3hfw h SER 175 CO -0.14 0.90 -0.36 0.00 -1.14 0.00 0.00 176.83 176.09 3hfw h ALA 176 N 1.01 0.13 0.02 3.77 0.00 -1.07 -3.01 119.26 120.11 3hfw h ALA 176 Ca 0.17 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hfw h ALA 176 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hfw h ALA 176 CO 0.01 0.22 -0.01 1.25 0.00 0.00 0.00 179.25 180.72 3hfw h LEU 177 N -0.14 -0.02 -1.68 0.00 5.85 -0.64 -1.76 115.31 116.91 3hfw h LEU 177 Ca -0.03 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3hfw h LEU 177 Cb 1.03 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3hfw h LEU 177 CO 0.07 0.05 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.85 3hfw h PHE 178 N -0.10 0.05 -0.35 1.25 -1.00 -1.35 -0.86 116.94 114.59 3hfw h PHE 178 Ca -0.00 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3hfw h PHE 178 Cb 0.09 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3hfw h PHE 178 CO -0.05 0.17 0.12 1.15 -1.61 0.00 0.00 178.31 178.09 3hfw h THR 179 N 0.05 1.20 -0.82 -1.55 2.02 -1.31 -0.36 112.91 112.14 3hfw h THR 179 Ca 0.01 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.58 3hfw h THR 179 Cb 0.24 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3hfw h THR 179 CO 0.02 0.22 0.54 0.00 0.37 0.00 0.00 175.52 176.67 3hfw h ALA 180 N 0.97 1.05 -0.53 6.16 0.00 -0.53 -0.04 119.26 126.33 3hfw h ALA 180 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hfw h ALA 180 Cb 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hfw h ALA 180 CO -0.01 0.44 0.35 1.88 0.00 0.00 0.00 179.25 181.91 3hfw h TYR 181 N 1.10 0.67 -0.59 0.00 0.05 -1.04 -1.80 116.97 115.37 3hfw h TYR 181 Ca 0.31 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.07 3hfw h TYR 181 Cb -0.10 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.38 3hfw h TYR 181 CO -0.02 0.42 0.24 0.00 -1.05 0.00 0.00 178.16 177.75 3hfw h ALA 182 N 1.20 0.76 -0.72 3.88 0.00 -0.34 -1.19 119.26 122.85 3hfw h ALA 182 Ca 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hfw h ALA 182 Cb -0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3hfw h ALA 182 CO -0.04 0.37 0.47 0.28 0.00 0.00 0.00 179.25 180.33 3hfw h VAL 183 N 0.81 1.14 -0.25 0.00 2.07 -0.66 -0.17 116.25 119.18 3hfw h VAL 183 Ca 0.20 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3hfw h VAL 183 Cb 0.20 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3hfw h VAL 183 CO -0.02 0.17 0.00 0.59 0.02 0.00 0.00 177.57 178.33 3hfw n ASN 184 N -4.44 1.45 -2.96 0.57 3.02 -0.71 -4.92 115.26 107.26 3hfw n ASN 184 Ca 0.08 -2.02 -0.22 0.00 -0.03 0.00 0.00 54.58 52.40 3hfw n ASN 184 Cb 0.09 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.08 3hfw n ASN 184 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hfw n SER 185 N 0.24 -5.54 -4.70 6.41 7.64 -0.08 -4.95 113.62 112.65 3hfw n SER 185 Ca 0.09 -0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.31 3hfw n SER 185 Cb 0.24 -4.52 -0.03 0.00 -1.01 0.00 0.00 64.21 58.89 3hfw n SER 185 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3hfw s ARG 186 N -5.63 4.45 0.06 1.43 3.52 -0.50 -4.96 118.95 117.32 3hfw s ARG 186 Ca 0.26 1.62 -0.34 0.00 -0.13 0.00 0.00 55.73 57.14 3hfw s ARG 186 Cb -0.12 -3.44 -0.13 0.00 -1.56 0.00 0.00 34.95 29.70 3hfw s ARG 186 CO 0.32 -0.25 1.67 -2.30 -0.81 0.00 0.00 175.30 173.94 3hfw n PRO 187 N 4.29 2.08 -0.20 5.12 -0.02 -1.26 -4.66 135.00 140.34 3hfw n PRO 187 Ca 0.09 0.76 0.30 0.00 -2.02 0.00 0.00 63.50 62.62 3hfw n PRO 187 Cb 0.48 -2.54 0.73 0.00 -0.02 0.00 0.00 33.50 32.14 3hfw n PRO 187 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hfw h PRO 188 N 7.03 0.00 0.00 0.52 0.11 -1.96 0.03 132.00 137.73 3hfw h PRO 188 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hfw h PRO 188 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hfw h PRO 188 CO 0.90 0.00 0.00 1.37 -0.21 0.00 0.00 178.00 180.07 3hfw h LEU 189 N 0.00 0.00 0.00 2.35 8.10 -1.91 -1.51 115.31 122.34 3hfw h LEU 189 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.44 3hfw h LEU 189 Cb 1.81 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.03 3hfw h LEU 189 CO -0.01 0.00 -0.60 0.00 -4.11 0.00 0.00 178.44 173.72 3hfw n GLN 190 N -2.62 0.19 -0.11 0.17 6.02 -0.00 -4.33 117.38 116.70 3hfw n GLN 190 Ca -0.01 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 3hfw n GLN 190 Cb 0.11 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 3hfw n GLN 190 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3hfw h TRP 191 N 0.00 0.66 -0.43 1.08 6.55 -1.39 -2.56 115.95 119.85 3hfw h TRP 191 Ca 0.00 -0.14 0.06 0.00 0.95 0.00 0.00 58.89 59.76 3hfw h TRP 191 Cb 0.66 -0.16 -0.05 0.00 -0.86 0.00 0.00 29.16 28.75 3hfw h TRP 191 CO 0.00 0.76 0.14 0.78 -1.05 0.00 0.00 178.44 179.07 3hfw h GLY 192 N 0.36 0.55 0.43 1.49 0.00 -1.81 -1.30 103.07 102.79 3hfw h GLY 192 Ca 0.08 -0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.43 3hfw h GLY 192 CO 0.03 0.01 0.34 1.70 0.00 0.00 0.00 176.54 178.62 3hfw h LYS 193 N 0.30 0.55 -0.58 4.80 3.64 -1.71 -1.41 116.57 122.17 3hfw h LYS 193 Ca 0.20 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3hfw h LYS 193 Cb 0.20 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 3hfw h LYS 193 CO -0.21 0.37 0.30 0.78 -2.27 0.00 0.00 179.45 178.41 3hfw h GLY 194 N 0.57 0.83 0.90 5.01 0.00 -0.90 -0.44 103.07 109.03 3hfw h GLY 194 Ca 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3hfw h GLY 194 CO -0.29 0.11 0.01 -2.00 0.00 0.00 0.00 176.54 174.38 3hfw h LEU 195 N 0.56 0.04 -0.72 3.11 5.85 -0.58 -1.58 115.31 121.99 3hfw h LEU 195 Ca 0.26 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3hfw h LEU 195 Cb 0.18 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3hfw h LEU 195 CO -0.18 0.13 0.40 0.24 -0.34 0.00 0.00 178.44 178.69 3hfw h MET 196 N -0.06 0.70 0.00 1.25 2.86 -1.01 -0.99 114.93 117.68 3hfw h MET 196 Ca 0.01 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3hfw h MET 196 Cb 0.10 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3hfw h MET 196 CO -0.00 0.46 -0.26 0.93 1.06 0.00 0.00 176.91 179.10 3hfw h GLU 197 N 0.72 0.00 0.00 1.72 5.08 -0.75 -3.05 114.58 118.30 3hfw h GLU 197 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3hfw h GLU 197 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hfw h GLU 197 CO -0.21 0.26 -0.76 1.28 -1.00 0.00 0.00 179.01 178.58 3hfw n LEU 198 N -3.94 0.62 -0.32 1.33 4.77 -0.46 -4.24 117.00 114.77 3hfw n LEU 198 Ca -0.02 -0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.00 3hfw n LEU 198 Cb 0.34 -0.16 0.21 0.00 -2.33 0.00 0.00 43.42 41.48 3hfw n LEU 198 CO 0.35 0.08 1.17 -0.07 -1.33 0.00 0.00 177.39 177.59 3hfw h LEU 199 N 0.00 0.74 -1.77 2.23 3.38 -1.21 -0.74 115.31 117.93 3hfw h LEU 199 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hfw h LEU 199 Cb 0.62 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hfw h LEU 199 CO 0.00 0.39 -0.05 -0.65 0.09 0.00 0.00 178.44 178.21 3hfw h PRO 200 N 0.83 0.08 -0.10 1.13 0.11 -1.78 -0.53 132.00 131.74 3hfw h PRO 200 Ca 0.45 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.39 3hfw h PRO 200 Cb 0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3hfw h PRO 200 CO -0.28 0.14 -0.64 0.93 -0.21 0.00 0.00 178.00 177.94 3hfw h GLU 201 N 0.08 0.39 -0.63 1.05 4.39 -1.42 -1.69 114.58 116.74 3hfw h GLU 201 Ca 0.02 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 3hfw h GLU 201 Cb 0.15 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3hfw h GLU 201 CO 0.01 0.90 0.29 0.00 -1.16 0.00 0.00 179.01 179.04 3hfw h ALA 202 N 1.03 0.81 -0.31 3.43 0.00 -0.60 -2.04 119.26 121.58 3hfw h ALA 202 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hfw h ALA 202 Cb 1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hfw h ALA 202 CO 0.11 0.40 0.18 -0.22 0.00 0.00 0.00 179.25 179.72 3hfw h LYS 203 N 0.87 0.43 -0.64 0.00 3.64 -0.99 -0.81 116.57 119.08 3hfw h LYS 203 Ca 0.21 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.66 3hfw h LYS 203 Cb 0.15 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 3hfw h LYS 203 CO -0.02 0.34 0.23 0.87 -2.27 0.00 0.00 179.45 178.59 3hfw h LYS 204 N 0.39 0.38 -0.16 1.90 1.57 -1.15 0.56 116.57 120.07 3hfw h LYS 204 Ca 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3hfw h LYS 204 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3hfw h LYS 204 CO -0.02 0.25 0.07 -0.92 -0.57 0.00 0.00 179.45 178.27 3hfw h TYR 205 N 0.40 0.23 -0.82 -1.35 3.20 -0.73 -1.11 116.97 116.79 3hfw h TYR 205 Ca 0.33 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.21 3hfw h TYR 205 Cb 0.43 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 3hfw h TYR 205 CO -0.18 0.28 0.54 0.82 -1.64 0.00 0.00 178.16 177.98 3hfw h ILE 206 N 0.12 1.17 0.31 1.81 1.08 -0.40 -0.68 117.51 120.92 3hfw h ILE 206 Ca 0.05 -0.37 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 3hfw h ILE 206 Cb 0.14 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 3hfw h ILE 206 CO -0.01 0.20 -0.15 0.58 -0.69 0.00 0.00 178.15 178.08 3hfw h VAL 207 N 1.07 0.71 -0.01 1.67 2.07 -0.79 -2.78 116.25 118.20 3hfw h VAL 207 Ca 0.32 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 3hfw h VAL 207 Cb -0.05 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3hfw h VAL 207 CO -0.09 0.05 -0.30 0.06 0.02 0.00 0.00 177.57 177.30 3hfw h GLN 208 N -0.54 0.02 -0.71 1.57 -0.00 -1.00 -2.63 115.11 111.81 3hfw h GLN 208 Ca -0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 3hfw h GLN 208 Cb 0.40 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.84 3hfw h GLN 208 CO 0.07 0.32 0.37 1.03 -0.00 0.00 0.00 178.83 180.62 3hfw h SER 209 N 0.01 0.91 0.00 0.06 0.87 -1.04 -3.47 113.55 110.89 3hfw h SER 209 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3hfw h SER 209 Cb 0.54 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3hfw h SER 209 CO 0.04 0.76 0.00 0.61 -0.53 0.00 0.00 176.83 177.71 3hfw n GLY 210 N -1.04 0.77 3.60 5.77 0.00 -0.99 -5.05 105.19 108.25 3hfw n GLY 210 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3hfw n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hfw s TYR 211 N -2.24 3.24 -1.33 1.61 2.02 -1.26 -4.53 117.35 114.86 3hfw s TYR 211 Ca 0.00 0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 57.05 3hfw s TYR 211 Cb 0.00 -2.60 -0.00 0.00 -0.40 0.00 0.00 41.96 38.96 3hfw s TYR 211 CO 0.00 -0.26 0.56 1.19 -1.57 0.00 0.00 175.55 175.47 3hfw n PHE 212 N 5.37 -1.76 -0.00 2.71 3.72 -1.26 -4.87 117.46 121.37 3hfw n PHE 212 Ca -0.08 0.70 -0.12 0.00 -0.05 0.00 0.00 57.45 57.90 3hfw n PHE 212 Cb 0.50 -3.82 -0.08 0.00 -0.94 0.00 0.00 39.48 35.14 3hfw n PHE 212 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3hfw h VAL 213 N -1.86 1.21 -0.38 -4.37 2.07 -1.89 -1.69 116.25 109.35 3hfw h VAL 213 Ca -0.63 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.28 3hfw h VAL 213 Cb 1.37 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 3hfw h VAL 213 CO 0.58 0.17 0.19 -0.08 0.02 0.00 0.00 177.57 178.45 3hfw h GLU 214 N -0.19 0.37 -0.52 1.57 4.81 -1.97 -0.55 114.58 118.10 3hfw h GLU 214 Ca 0.01 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3hfw h GLU 214 Cb 0.27 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3hfw h GLU 214 CO 0.00 0.24 0.21 0.93 -0.73 0.00 0.00 179.01 179.67 3hfw h GLU 215 N 0.38 0.77 -0.17 1.92 3.07 -1.93 -0.76 114.58 117.85 3hfw h GLU 215 Ca 0.16 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3hfw h GLU 215 Cb 0.07 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 3hfw h GLU 215 CO -0.11 0.68 0.09 -0.91 -1.40 0.00 0.00 179.01 177.35 3hfw h ASN 216 N 0.69 0.22 -0.57 1.42 4.21 -1.00 -2.78 115.58 117.78 3hfw h ASN 216 Ca 0.17 -0.11 -0.03 0.00 1.21 0.00 0.00 56.30 57.54 3hfw h ASN 216 Cb 0.19 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.30 3hfw h ASN 216 CO -0.01 0.27 0.24 -0.07 -1.29 0.00 0.00 177.43 176.56 3hfw h LEU 217 N 0.16 0.80 -1.66 1.61 3.38 -0.95 -2.21 115.31 116.44 3hfw h LEU 217 Ca 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3hfw h LEU 217 Cb 0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hfw h LEU 217 CO -0.01 0.73 -0.02 -0.61 0.09 0.00 0.00 178.44 178.61 3hfw h GLN 218 N 0.87 0.00 -0.11 1.13 4.15 -0.95 -2.97 115.11 117.22 3hfw h GLN 218 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3hfw h GLN 218 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3hfw h GLN 218 CO -0.02 0.02 0.00 0.72 -1.93 0.00 0.00 178.83 177.63 3hfw n HIS 219 N -3.14 0.13 -0.03 3.99 8.25 -0.97 -4.69 115.22 118.76 3hfw n HIS 219 Ca -0.00 -0.10 -0.02 0.00 -0.26 0.00 0.00 57.72 57.33 3hfw n HIS 219 Cb 0.28 -0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.61 3hfw n HIS 219 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3hfw h TRP 220 N 2.90 0.63 0.00 4.41 2.91 -1.24 -3.25 115.95 122.30 3hfw h TRP 220 Ca 0.00 -0.09 -0.00 0.00 1.13 0.00 0.00 58.89 59.93 3hfw h TRP 220 Cb 0.66 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.14 3hfw h TRP 220 CO 0.07 0.66 -0.01 0.66 -1.03 0.00 0.00 178.44 178.79 3hfw h SER 221 N 0.55 0.00 0.59 2.65 4.64 -1.84 -3.24 113.55 116.90 3hfw h SER 221 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3hfw h SER 221 Cb 0.47 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3hfw h SER 221 CO 0.03 0.01 -0.28 0.22 -0.87 0.00 0.00 176.83 175.93 3hfw h TYR 222 N 0.00 -0.73 -0.31 4.77 3.20 -1.93 0.71 116.97 122.68 3hfw h TYR 222 Ca -0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3hfw h TYR 222 Cb 0.61 0.24 -0.06 0.00 1.54 0.00 0.00 36.73 39.06 3hfw h TYR 222 CO 0.00 -0.41 -0.11 0.35 -1.64 0.00 0.00 178.16 176.34 3hfw h PHE 223 N -0.91 -0.26 -0.44 -3.82 3.57 -1.79 -0.75 116.94 112.54 3hfw h PHE 223 Ca -0.08 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 3hfw h PHE 223 Cb 0.65 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 3hfw h PHE 223 CO -0.01 -0.18 0.06 0.37 -2.23 0.00 0.00 178.31 176.32 3hfw h GLN 224 N -0.05 0.73 -0.49 1.11 4.15 -1.58 -2.00 115.11 116.97 3hfw h GLN 224 Ca 0.16 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 3hfw h GLN 224 Cb 0.29 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3hfw h GLN 224 CO -0.35 0.76 0.18 1.15 -1.93 0.00 0.00 178.83 178.65 3hfw h THR 225 N 0.59 1.22 -0.47 2.39 2.02 -0.64 0.38 112.91 118.39 3hfw h THR 225 Ca 0.13 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 3hfw h THR 225 Cb 0.39 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3hfw h THR 225 CO 0.01 0.26 0.15 0.11 0.37 0.00 0.00 175.52 176.41 3hfw h LYS 226 N 0.66 0.73 -0.43 6.66 1.79 -0.99 -0.88 116.57 124.12 3hfw h LYS 226 Ca 0.16 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 3hfw h LYS 226 Cb 0.22 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3hfw h LYS 226 CO -0.01 0.70 0.11 -1.49 -1.08 0.00 0.00 179.45 177.68 3hfw h TRP 227 N 0.63 0.71 -0.59 -1.35 4.06 -1.29 -1.78 115.95 116.34 3hfw h TRP 227 Ca 0.15 -0.08 0.04 0.00 2.06 0.00 0.00 58.89 61.06 3hfw h TRP 227 Cb 0.27 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.19 3hfw h TRP 227 CO 0.01 0.66 0.34 0.93 -3.56 0.00 0.00 178.44 176.82 3hfw h GLU 228 N 0.55 0.64 -0.54 0.49 5.08 -0.65 0.09 114.58 120.24 3hfw h GLU 228 Ca 0.13 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 3hfw h GLU 228 Cb 0.30 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3hfw h GLU 228 CO 0.00 0.42 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.44 3hfw h ASN 229 N 0.66 1.00 -0.23 1.42 2.35 -1.08 -0.75 115.58 118.96 3hfw h ASN 229 Ca 0.25 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3hfw h ASN 229 Cb 0.08 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3hfw h ASN 229 CO -0.13 1.11 0.13 0.22 -1.65 0.00 0.00 177.43 177.12 3hfw h TYR 230 N 0.88 0.30 -0.64 1.19 3.20 -0.99 -0.10 116.97 120.82 3hfw h TYR 230 Ca 0.14 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3hfw h TYR 230 Cb 0.64 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3hfw h TYR 230 CO 0.05 0.24 0.11 -0.07 -1.64 0.00 0.00 178.16 176.85 3hfw h LEU 231 N 0.27 1.01 -0.75 2.82 3.38 -0.73 -1.86 115.31 119.45 3hfw h LEU 231 Ca 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3hfw h LEU 231 Cb 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3hfw h LEU 231 CO -0.01 1.01 0.37 0.11 0.09 0.00 0.00 178.44 180.01 3hfw h LYS 232 N 0.97 1.07 -0.64 1.13 1.57 -1.01 -0.74 116.57 118.91 3hfw h LYS 232 Ca 0.19 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3hfw h LYS 232 Cb 0.43 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3hfw h LYS 232 CO 0.01 0.83 0.35 1.25 -0.57 0.00 0.00 179.45 181.32 3hfw h LEU 233 N 1.05 0.52 0.00 2.94 5.85 -0.67 -2.01 115.31 122.98 3hfw h LEU 233 Ca 0.26 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3hfw h LEU 233 Cb 0.10 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3hfw h LEU 233 CO -0.03 0.34 0.00 0.54 -0.34 0.00 0.00 178.44 178.94 3hfw n ARG 234 N -4.81 0.19 -1.53 1.25 5.12 -0.73 -4.85 116.66 111.31 3hfw n ARG 234 Ca 0.08 0.02 -0.05 0.00 -1.93 0.00 0.00 57.85 55.96 3hfw n ARG 234 Cb 0.17 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 3hfw n ARG 234 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hfw n GLY 235 N 1.28 0.54 0.34 -0.13 0.00 -0.41 -1.09 105.19 105.72 3hfw n GLY 235 Ca 0.10 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.44 3hfw n GLY 235 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hfw n ILE 236 N -3.30 1.66 -0.34 -0.61 -5.35 -0.46 -4.59 119.36 106.37 3hfw n ILE 236 Ca -0.06 -2.21 0.07 0.00 -0.27 0.00 0.00 62.75 60.28 3hfw n ILE 236 Cb 0.32 -0.09 0.23 0.00 -1.74 0.00 0.00 39.64 38.36 3hfw n ILE 236 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3hfw h LEU 237 N 0.32 0.83 -2.38 7.28 5.85 -1.89 -2.59 115.31 122.73 3hfw h LEU 237 Ca -0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3hfw h LEU 237 Cb 1.09 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3hfw h LEU 237 CO 0.01 0.43 0.00 -0.90 -0.34 0.00 0.00 178.44 177.63 3hfw n ASP 238 N -4.68 3.52 -0.48 1.25 5.75 -1.26 -4.20 116.55 116.45 3hfw n ASP 238 Ca 0.18 -1.99 -0.06 0.00 -0.01 0.00 0.00 54.79 52.91 3hfw n ASP 238 Cb 0.37 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 3hfw n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hfw n GLY 239 N 1.54 0.85 1.26 6.12 0.00 -0.98 -4.89 105.19 109.09 3hfw n GLY 239 Ca 0.21 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.66 3hfw n GLY 239 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hfw n GLU 240 N -2.58 1.04 -3.70 1.61 1.02 -1.26 -4.37 120.64 112.40 3hfw n GLU 240 Ca -0.06 -2.81 -0.14 0.00 -0.02 0.00 0.00 57.16 54.13 3hfw n GLU 240 Cb 0.24 -0.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 3hfw n GLU 240 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hfw s SER 241 N -2.76 -0.34 0.42 1.62 0.15 -1.26 -5.12 113.70 106.41 3hfw s SER 241 Ca 0.36 0.35 -0.24 0.00 0.70 0.00 0.00 55.95 57.12 3hfw s SER 241 Cb 0.38 0.45 -0.08 0.00 -1.71 0.00 0.00 66.02 65.06 3hfw s SER 241 CO -0.10 -0.45 1.13 0.00 1.20 0.00 0.00 173.24 175.02 3hfw s ALA 242 N -1.08 3.06 0.66 5.45 0.00 -1.26 -4.76 121.76 123.83 3hfw s ALA 242 Ca -0.11 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 3hfw s ALA 242 Cb -0.04 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 3hfw s ALA 242 CO 0.05 -0.48 1.19 -1.25 0.00 0.00 0.00 175.76 175.27 3hfw s PRO 243 N -2.51 2.62 -0.15 0.00 0.04 -1.26 -4.87 135.00 128.87 3hfw s PRO 243 Ca 0.60 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.37 3hfw s PRO 243 Cb -0.27 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3hfw s PRO 243 CO 0.34 -1.46 -0.18 0.99 0.04 0.00 0.00 177.00 176.73 3hfw s THR 244 N -1.89 2.45 0.20 1.26 2.01 -0.25 -5.04 115.64 114.38 3hfw s THR 244 Ca 0.74 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.94 3hfw s THR 244 Cb -0.28 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 3hfw s THR 244 CO 0.39 0.53 0.23 -0.36 -0.69 0.00 0.00 174.62 174.72 3hfw s PHE 245 N 0.79 3.26 0.79 4.92 0.08 -1.26 -4.54 117.98 122.03 3hfw s PHE 245 Ca -0.06 -0.02 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 3hfw s PHE 245 Cb -0.15 -1.52 0.08 0.00 -0.57 0.00 0.00 43.02 40.85 3hfw s PHE 245 CO -0.00 0.50 1.17 -2.14 -0.10 0.00 0.00 175.22 174.65 3hfw s PRO 246 N -3.53 1.79 0.12 0.24 0.02 -1.26 -4.93 135.00 127.45 3hfw s PRO 246 Ca 0.33 1.62 -0.18 0.00 0.02 0.00 0.00 61.00 62.79 3hfw s PRO 246 Cb -0.09 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 3hfw s PRO 246 CO 0.26 -2.07 1.66 1.49 -0.33 0.00 0.00 177.00 178.02 3hfw h GLU 247 N -0.90 0.46 -4.62 5.54 4.81 -2.06 -3.37 114.58 114.44 3hfw h GLU 247 Ca -0.46 -0.08 -0.70 0.00 -0.13 0.00 0.00 59.36 57.99 3hfw h GLU 247 Cb 1.28 -0.08 -0.29 0.00 0.63 0.00 0.00 28.75 30.30 3hfw h GLU 247 CO 0.47 0.47 -0.57 -1.54 -0.73 0.00 0.00 179.01 177.11 3hfw s SER 248 N -5.74 5.40 -0.33 1.04 1.04 -1.26 -4.89 113.70 108.96 3hfw s SER 248 Ca -0.13 -1.25 0.16 0.00 0.48 0.00 0.00 55.95 55.21 3hfw s SER 248 Cb 0.09 -1.90 0.45 0.00 0.10 0.00 0.00 66.02 64.76 3hfw s SER 248 CO 0.73 -0.38 1.11 0.33 0.98 0.00 0.00 173.24 176.01 3hfw n PHE 249 N 4.83 0.11 -0.80 5.02 7.35 -1.26 -4.91 117.46 127.80 3hfw n PHE 249 Ca -0.11 -2.40 0.00 0.00 -0.76 0.00 0.00 57.45 54.17 3hfw n PHE 249 Cb 0.44 0.24 0.00 0.00 0.35 0.00 0.00 39.48 40.51 3hfw n PHE 249 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hfw n GLY 250 N -0.38 -1.25 0.05 7.13 0.00 -1.26 -4.68 105.19 104.79 3hfw n GLY 250 Ca 0.04 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 3hfw n GLY 250 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hfw h VAL 251 N -0.92 1.05 -0.31 1.61 2.07 -1.97 -0.26 116.25 117.52 3hfw h VAL 251 Ca 0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3hfw h VAL 251 Cb 0.00 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3hfw h VAL 251 CO 0.00 0.04 0.17 0.50 0.02 0.00 0.00 177.57 178.30 3hfw h LYS 252 N -0.02 0.43 -0.88 1.57 3.64 -1.94 -1.49 116.57 117.88 3hfw h LYS 252 Ca 0.01 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3hfw h LYS 252 Cb 0.06 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3hfw h LYS 252 CO -0.00 0.36 0.58 0.93 -2.27 0.00 0.00 179.45 179.05 3hfw h GLU 253 N 0.38 1.15 -0.67 1.90 3.07 -1.84 -1.99 114.58 116.60 3hfw h GLU 253 Ca 0.11 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 3hfw h GLU 253 Cb 0.06 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 3hfw h GLU 253 CO -0.02 0.77 0.13 0.00 -1.40 0.00 0.00 179.01 178.49 3hfw h ARG 254 N 1.19 1.09 -0.39 2.33 3.08 -0.79 0.33 114.38 121.22 3hfw h ARG 254 Ca 0.32 -0.28 0.07 0.00 0.07 0.00 0.00 59.98 60.16 3hfw h ARG 254 Cb -0.13 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 29.72 3hfw h ARG 254 CO -0.07 0.99 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.35 3hfw h ASP 255 N 1.01 -0.23 -0.42 7.04 5.19 -0.67 0.18 116.42 128.53 3hfw h ASP 255 Ca 0.21 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 3hfw h ASP 255 Cb 0.41 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 3hfw h ASP 255 CO 0.01 -0.07 0.18 -0.61 -3.12 0.00 0.00 179.24 175.63 3hfw h GLN 256 N 0.07 0.62 -0.35 3.56 5.75 -1.07 -1.26 115.11 122.42 3hfw h GLN 256 Ca 0.19 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 3hfw h GLN 256 Cb 0.28 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 3hfw h GLN 256 CO -0.34 0.56 0.19 0.35 -2.65 0.00 0.00 178.83 176.94 3hfw h PHE 257 N 0.54 0.36 -0.95 3.99 3.57 -0.51 -1.24 116.94 122.69 3hfw h PHE 257 Ca 0.14 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3hfw h PHE 257 Cb 0.16 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3hfw h PHE 257 CO -0.00 0.20 0.59 1.88 -2.23 0.00 0.00 178.31 178.75 3hfw h TYR 258 N 0.39 1.24 -0.80 0.41 0.05 -0.36 -1.47 116.97 116.43 3hfw h TYR 258 Ca 0.14 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 3hfw h TYR 258 Cb 0.03 -0.41 -0.04 0.00 1.01 0.00 0.00 36.73 37.32 3hfw h TYR 258 CO -0.09 0.81 0.44 1.15 -1.05 0.00 0.00 178.16 179.42 3hfw h THR 259 N 1.31 1.24 -0.02 -2.88 2.02 -0.99 -2.13 112.91 111.45 3hfw h THR 259 Ca 0.34 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3hfw h THR 259 Cb -0.08 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3hfw h THR 259 CO -0.07 0.26 -0.10 0.77 0.37 0.00 0.00 175.52 176.75 3hfw h SER 260 N 1.10 0.03 1.31 4.18 4.64 -0.48 -1.38 113.55 122.95 3hfw h SER 260 Ca 0.28 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3hfw h SER 260 Cb 0.03 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hfw h SER 260 CO -0.05 0.14 -0.00 -0.07 -0.87 0.00 0.00 176.83 175.98 3hfw h LEU 261 N 0.03 0.00-10.20 5.97 3.38 -0.63 -3.47 115.31 110.39 3hfw h LEU 261 Ca 0.01 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3hfw h LEU 261 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hfw h LEU 261 CO 0.01 0.00 0.37 -0.94 0.09 0.00 0.00 178.44 177.98 3hfw s SER 262 N -5.85 6.60 0.07 -0.43 1.04 -0.52 -4.82 113.70 109.79 3hfw s SER 262 Ca 0.03 1.55 -0.21 0.00 0.48 0.00 0.00 55.95 57.80 3hfw s SER 262 Cb 0.08 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.59 3hfw s SER 262 CO 0.58 -0.59 1.52 0.22 0.98 0.00 0.00 173.24 175.95 3hfw h TYR 263 N 0.87 0.31 0.00 5.02 5.03 -1.86 -3.40 116.97 122.94 3hfw h TYR 263 Ca -0.47 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 60.80 3hfw h TYR 263 Cb 1.18 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.38 3hfw h TYR 263 CO 0.64 0.47 -0.37 -1.13 -1.32 0.00 0.00 178.16 176.45 3hfw n SER 264 N -4.76 0.00 0.00 -2.11 3.41 -1.26 -5.03 113.62 103.88 3hfw n SER 264 Ca -0.05 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 3hfw n SER 264 Cb 0.20 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3hfw n SER 264 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hfw n GLY 265 N 0.00 1.51 3.08 5.00 0.00 -1.26 -5.07 105.19 108.45 3hfw n GLY 265 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3hfw n GLY 265 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hfw s TRP 266 N -2.01 3.60 0.13 1.61 -0.00 -1.26 -4.84 118.94 116.16 3hfw s TRP 266 Ca 0.00 -2.64 -0.31 0.00 -0.00 0.00 0.00 56.10 53.15 3hfw s TRP 266 Cb 0.00 -3.13 -0.09 0.00 -0.00 0.00 0.00 33.47 30.25 3hfw s TRP 266 CO 0.00 -0.94 1.54 0.20 -0.00 0.00 0.00 176.95 177.75 3hfw s GLY 267 N 1.38 1.65 0.00 5.86 0.00 -1.26 -2.00 107.32 112.95 3hfw s GLY 267 Ca 0.10 1.27 0.00 0.00 0.00 0.00 0.00 44.72 46.09 3hfw s GLY 267 CO -0.05 2.62 0.00 0.61 0.00 0.00 0.00 173.10 176.29 3hfw n GLY 268 N 3.75 0.77 0.40 0.20 0.00 -1.26 0.08 105.19 109.13 3hfw n GLY 268 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3hfw n GLY 268 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hfw n SER 269 N 0.00 1.21 -4.66 1.61 3.41 -0.85 -3.72 113.62 110.63 3hfw n SER 269 Ca 0.00 -1.52 -0.28 0.00 -0.26 0.00 0.00 58.87 56.81 3hfw n SER 269 Cb 0.00 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 3hfw n SER 269 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hfw s SER 270 N -1.77 3.98 0.45 4.04 0.01 -1.26 -1.01 113.70 118.14 3hfw s SER 270 Ca 0.36 -1.38 0.21 0.00 1.31 0.00 0.00 55.95 56.45 3hfw s SER 270 Cb 0.19 -0.27 1.09 0.00 0.21 0.00 0.00 66.02 67.23 3hfw s SER 270 CO 0.29 -0.52 1.94 1.23 0.41 0.00 0.00 173.24 176.59 3hfw h GLY 271 N 1.66 0.00 0.86 3.44 0.00 -0.97 -1.73 103.07 106.33 3hfw h GLY 271 Ca -0.44 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.68 3hfw h GLY 271 CO 0.79 0.00 -0.89 1.12 0.00 0.00 0.00 176.54 177.56 3hfw h HIS 272 N 0.00 0.69 0.00 5.60 2.07 -1.82 -3.29 115.15 118.40 3hfw h HIS 272 Ca -0.00 -0.45 -0.08 0.00 -2.85 0.00 0.00 60.37 56.99 3hfw h HIS 272 Cb 0.52 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.44 3hfw h HIS 272 CO 0.00 1.32 -1.63 -0.40 -3.07 0.00 0.00 177.93 174.15 3hfw n ASP 273 N -4.06 0.44 0.27 3.10 5.75 -1.18 -3.05 116.55 117.82 3hfw n ASP 273 Ca -0.13 0.18 -0.16 0.00 -0.01 0.00 0.00 54.79 54.67 3hfw n ASP 273 Cb 0.83 1.02 -0.08 0.00 -1.03 0.00 0.00 41.12 41.86 3hfw n ASP 273 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hfw h ALA 274 N 1.75 -0.74 -0.04 2.12 0.00 -1.39 0.12 119.26 121.08 3hfw h ALA 274 Ca -0.10 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3hfw h ALA 274 Cb 1.28 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3hfw h ALA 274 CO 0.01 -0.93 -0.31 -1.00 0.00 0.00 0.00 179.25 177.02 3hfw h PRO 275 N -0.74 0.08 -0.40 0.00 0.13 -1.77 -2.64 132.00 126.66 3hfw h PRO 275 Ca -0.05 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 3hfw h PRO 275 Cb 0.61 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 3hfw h PRO 275 CO 0.04 0.38 0.08 1.98 -0.23 0.00 0.00 178.00 180.25 3hfw h MET 276 N 0.07 0.66 -0.14 0.86 4.05 -1.41 0.17 114.93 119.18 3hfw h MET 276 Ca 0.01 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.24 3hfw h MET 276 Cb 0.59 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 3hfw h MET 276 CO 0.04 0.69 -0.01 0.82 0.23 0.00 0.00 176.91 178.69 3hfw h ILE 277 N 0.51 1.26 -0.76 1.77 2.04 -0.98 -0.41 117.51 120.95 3hfw h ILE 277 Ca 0.12 -0.85 0.14 0.00 1.00 0.00 0.00 64.86 65.27 3hfw h ILE 277 Cb 0.35 1.55 -0.09 0.00 -0.74 0.00 0.00 36.82 37.89 3hfw h ILE 277 CO 0.01 0.25 0.31 0.00 0.00 0.00 0.00 178.15 178.72 3hfw h ALA 278 N 0.75 1.08 -0.10 1.87 0.00 -1.39 -1.46 119.26 120.00 3hfw h ALA 278 Ca 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hfw h ALA 278 Cb 0.38 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hfw h ALA 278 CO 0.01 -0.20 0.03 -0.92 0.00 0.00 0.00 179.25 178.17 3hfw h TYR 279 N 0.46 0.16 -0.85 0.00 3.20 -0.73 -1.39 116.97 117.82 3hfw h TYR 279 Ca 0.42 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.38 3hfw h TYR 279 Cb 0.63 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 3hfw h TYR 279 CO -0.16 0.29 0.48 0.22 -1.64 0.00 0.00 178.16 177.35 3hfw h ASP 280 N -0.02 0.66 -0.19 -2.11 3.58 -0.77 0.73 116.42 118.30 3hfw h ASP 280 Ca 0.03 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 3hfw h ASP 280 Cb 0.20 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 3hfw h ASP 280 CO -0.00 0.35 0.06 0.00 -2.88 0.00 0.00 179.24 176.77 3hfw h ALA 281 N 1.49 0.25 -0.50 -0.78 0.00 -1.11 -2.09 119.26 116.52 3hfw h ALA 281 Ca 0.42 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3hfw h ALA 281 Cb 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3hfw h ALA 281 CO -0.28 -0.12 0.25 0.28 0.00 0.00 0.00 179.25 179.38 3hfw h VAL 282 N 0.14 0.95 -0.82 0.00 2.07 -0.83 1.00 116.25 118.75 3hfw h VAL 282 Ca 0.06 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3hfw h VAL 282 Cb 0.23 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3hfw h VAL 282 CO -0.00 0.09 0.53 -0.07 0.02 0.00 0.00 177.57 178.14 3hfw h LEU 283 N 0.48 0.90 -0.03 2.57 3.38 -0.70 -2.88 115.31 119.02 3hfw h LEU 283 Ca 0.22 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.92 3hfw h LEU 283 Cb 0.14 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.69 3hfw h LEU 283 CO -0.16 0.63 -1.09 0.00 0.09 0.00 0.00 178.44 177.91 3hfw h ALA 284 N 1.33 0.20 0.00 1.53 0.00 -1.03 -3.38 119.26 117.91 3hfw h ALA 284 Ca 0.32 -0.76 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 3hfw h ALA 284 Cb -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hfw h ALA 284 CO -0.10 0.80 -0.77 0.00 0.00 0.00 0.00 179.25 179.19 3hfw h ALA 285 N 0.57 0.65 -0.54 0.00 0.00 -0.61 -3.49 119.26 115.85 3hfw h ALA 285 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3hfw h ALA 285 Cb 1.75 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3hfw h ALA 285 CO 0.19 0.96 0.00 0.41 0.00 0.00 0.00 179.25 180.81 3hfw n GLY 286 N 0.86 3.10 0.49 0.00 0.00 -1.12 -1.35 105.19 107.18 3hfw n GLY 286 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.99 3hfw n GLY 286 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hfw n ASP 287 N 3.05 1.32 -4.39 1.61 5.75 -1.26 -4.77 116.55 117.87 3hfw n ASP 287 Ca 0.00 -2.07 -0.44 0.00 -0.01 0.00 0.00 54.79 52.26 3hfw n ASP 287 Cb 0.00 -0.26 -0.08 0.00 -1.03 0.00 0.00 41.12 39.75 3hfw n ASP 287 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hfw s SER 288 N -0.71 6.15 0.24 -1.12 0.15 -0.45 -4.92 113.70 113.04 3hfw s SER 288 Ca 0.12 -1.30 -0.06 0.00 0.70 0.00 0.00 55.95 55.40 3hfw s SER 288 Cb 0.07 -2.18 0.25 0.00 -1.71 0.00 0.00 66.02 62.45 3hfw s SER 288 CO 0.06 -0.64 1.92 -0.25 1.20 0.00 0.00 173.24 175.53 3hfw h TRP 289 N 8.75 1.21 -0.15 3.44 2.91 -1.86 -1.64 115.95 128.61 3hfw h TRP 289 Ca -0.28 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.77 3hfw h TRP 289 Cb 1.11 -0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 29.34 3hfw h TRP 289 CO 0.63 0.76 0.10 0.87 -1.03 0.00 0.00 178.44 179.77 3hfw h LYS 290 N 1.30 0.20 -0.61 2.65 1.57 -1.91 -0.48 116.57 119.29 3hfw h LYS 290 Ca 0.36 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 3hfw h LYS 290 Cb -0.13 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3hfw h LYS 290 CO -0.08 0.14 0.32 1.49 -0.57 0.00 0.00 179.45 180.75 3hfw h GLU 291 N 0.20 0.87 -0.69 3.15 4.81 -1.85 -0.99 114.58 120.09 3hfw h GLU 291 Ca 0.06 -0.12 0.11 0.00 -0.13 0.00 0.00 59.36 59.28 3hfw h GLU 291 Cb -0.01 -0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.12 3hfw h GLU 291 CO -0.01 0.68 0.29 1.25 -0.73 0.00 0.00 179.01 180.49 3hfw h LEU 292 N 0.84 0.31 -0.26 1.64 5.85 -1.02 -1.57 115.31 121.10 3hfw h LEU 292 Ca 0.21 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 3hfw h LEU 292 Cb 0.08 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hfw h LEU 292 CO -0.03 0.16 -0.04 0.00 -0.34 0.00 0.00 178.44 178.19 3hfw h ALA 293 N 1.46 0.36 -0.50 1.25 0.00 -0.73 0.27 119.26 121.37 3hfw h ALA 293 Ca 0.35 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hfw h ALA 293 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hfw h ALA 293 CO -0.33 0.14 0.33 0.45 0.00 0.00 0.00 179.25 179.84 3hfw h HIS 294 N 0.25 0.61 0.06 0.00 3.86 -0.68 0.90 115.15 120.15 3hfw h HIS 294 Ca 0.07 0.01 -0.34 0.00 -1.16 0.00 0.00 60.37 58.96 3hfw h HIS 294 Cb 0.49 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3hfw h HIS 294 CO 0.05 0.38 -1.92 0.54 0.86 0.00 0.00 177.93 177.83 3hfw n ARG 295 N -4.46 0.70 -0.03 2.45 1.74 -0.64 -4.24 116.66 112.19 3hfw n ARG 295 Ca 0.05 0.26 0.03 0.00 -0.77 0.00 0.00 57.85 57.42 3hfw n ARG 295 Cb 0.07 -1.73 -0.12 0.00 -1.02 0.00 0.00 32.46 29.66 3hfw n ARG 295 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hfw n ALA 296 N -2.82 2.29 -0.10 7.54 0.00 0.94 -4.67 120.51 123.68 3hfw n ALA 296 Ca -0.27 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.52 3hfw n ALA 296 Cb 1.05 -0.39 -0.15 0.00 0.00 0.00 0.00 19.45 19.96 3hfw n ALA 296 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hfw n PHE 297 N -2.20 0.00 -3.85 0.00 3.72 0.26 -2.37 117.46 113.02 3hfw n PHE 297 Ca -0.09 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.01 3hfw n PHE 297 Cb 0.58 -0.99 -0.13 0.00 -0.94 0.00 0.00 39.48 38.00 3hfw n PHE 297 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3hfw s PHE 298 N -2.49 2.72 0.25 1.38 0.08 -0.86 -4.28 117.98 114.78 3hfw s PHE 298 Ca -0.12 -2.89 -0.18 0.00 0.12 0.00 0.00 56.93 53.86 3hfw s PHE 298 Cb 0.06 -2.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.08 3hfw s PHE 298 CO 0.80 -0.75 0.60 -3.38 -0.10 0.00 0.00 175.22 172.39 3hfw s HIS 299 N -0.10 0.01 -1.21 0.36 -3.43 -1.26 -4.69 115.29 104.97 3hfw s HIS 299 Ca 0.18 -0.41 0.23 0.00 -0.80 0.00 0.00 55.06 54.26 3hfw s HIS 299 Cb -0.24 0.47 1.07 0.00 -1.43 0.00 0.00 32.58 32.44 3hfw s HIS 299 CO -0.01 -1.09 1.74 0.41 -2.00 0.00 0.00 174.74 173.80 3hfw n GLY 300 N -0.41 -1.16 0.00 -1.38 0.00 -1.26 -4.64 105.19 96.34 3hfw n GLY 300 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3hfw n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfw n GLY 301 N 0.75 0.85 3.24 -0.02 0.00 -1.26 -4.13 105.19 104.62 3hfw n GLY 301 Ca 0.08 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 3hfw n GLY 301 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hfw n ASP 302 N 0.00 4.76 0.07 1.61 -0.08 0.11 -4.79 116.55 118.23 3hfw n ASP 302 Ca 0.00 -2.94 -0.03 0.00 -1.51 0.00 0.00 54.79 50.31 3hfw n ASP 302 Cb 0.00 -1.65 -0.07 0.00 2.34 0.00 0.00 41.12 41.74 3hfw n ASP 302 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hfw h SER 303 N 6.81 0.00 0.26 1.67 4.64 -1.82 -2.72 113.55 122.39 3hfw h SER 303 Ca 0.44 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.69 3hfw h SER 303 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3hfw h SER 303 CO 1.55 0.79 -0.31 -2.24 -0.87 0.00 0.00 176.83 175.75 3hfw h ASP 304 N 0.00 0.09 0.01 4.97 2.03 -1.82 -1.69 116.42 120.02 3hfw h ASP 304 Ca -0.06 -0.03 -0.07 0.00 -0.73 0.00 0.00 57.03 56.14 3hfw h ASP 304 Cb 1.66 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 40.14 3hfw h ASP 304 CO 0.09 0.40 -0.28 0.28 -1.03 0.00 0.00 179.24 178.70 3hfw h SER 305 N 0.08 0.22 -0.76 4.15 0.02 -1.87 -0.48 113.55 114.92 3hfw h SER 305 Ca 0.01 -0.83 0.03 0.00 -0.84 0.00 0.00 61.79 60.17 3hfw h SER 305 Cb 0.59 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 3hfw h SER 305 CO 0.04 1.02 0.50 0.71 -1.14 0.00 0.00 176.83 177.97 3hfw h THR 306 N -0.55 1.12 -0.50 -2.27 1.35 -1.55 -2.75 112.91 107.76 3hfw h THR 306 Ca -0.04 -0.32 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3hfw h THR 306 Cb 1.08 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 3hfw h THR 306 CO 0.06 0.17 0.23 0.00 -0.25 0.00 0.00 175.52 175.72 3hfw h ALA 307 N 1.56 0.64 -0.97 6.62 0.00 -0.92 -1.35 119.26 124.84 3hfw h ALA 307 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hfw h ALA 307 Cb 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3hfw h ALA 307 CO -0.09 0.22 0.62 0.00 0.00 0.00 0.00 179.25 180.00 3hfw h ALA 308 N 1.07 1.27 0.13 0.00 0.00 -0.80 -0.87 119.26 120.06 3hfw h ALA 308 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hfw h ALA 308 Cb 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hfw h ALA 308 CO -0.02 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.65 3hfw h ILE 309 N 1.33 1.02 -0.96 0.00 2.04 -1.44 -3.03 117.51 116.47 3hfw h ILE 309 Ca 0.35 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3hfw h ILE 309 Cb -0.12 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 3hfw h ILE 309 CO -0.07 0.25 0.63 0.00 0.00 0.00 0.00 178.15 178.95 3hfw h ALA 310 N -0.07 1.26 -0.06 1.87 0.00 -1.13 -2.23 119.26 118.90 3hfw h ALA 310 Ca -0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3hfw h ALA 310 Cb 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hfw h ALA 310 CO 0.03 0.52 -0.42 0.78 0.00 0.00 0.00 179.25 180.16 3hfw h GLY 311 N 1.22 0.14 0.62 0.00 0.00 -1.23 -1.01 103.07 102.81 3hfw h GLY 311 Ca 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 3hfw h GLY 311 CO -0.12 0.12 -0.11 0.00 0.00 0.00 0.00 176.54 176.43 3hfw h TRP 313 N -0.69 0.88 -0.22 0.00 6.55 -1.42 -1.98 115.95 119.07 3hfw h TRP 313 Ca -0.03 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.73 3hfw h TRP 313 Cb 0.48 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.49 3hfw h TRP 313 CO 0.04 0.47 -0.26 2.35 -1.05 0.00 0.00 178.44 179.99 3hfw h TRP 314 N 0.89 0.69 -0.76 0.49 7.01 -1.21 -3.02 115.95 120.05 3hfw h TRP 314 Ca 0.33 -0.22 -0.05 0.00 2.11 0.00 0.00 58.89 61.07 3hfw h TRP 314 Cb 0.11 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 3hfw h TRP 314 CO -0.04 0.92 0.29 0.78 -2.79 0.00 0.00 178.44 177.60 3hfw h GLY 315 N 0.26 1.22 0.36 2.65 0.00 -1.16 0.05 103.07 106.44 3hfw h GLY 315 Ca 0.03 -0.67 0.13 0.00 0.00 0.00 0.00 47.33 46.83 3hfw h GLY 315 CO 0.06 0.63 0.54 -2.08 0.00 0.00 0.00 176.54 175.70 3hfw h VAL 316 N 1.11 0.83 0.17 4.60 2.07 -1.32 0.90 116.25 124.61 3hfw h VAL 316 Ca 0.25 -0.28 -0.33 0.00 0.82 0.00 0.00 66.70 67.16 3hfw h VAL 316 Cb 0.22 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3hfw h VAL 316 CO -0.02 0.15 -1.64 0.24 0.02 0.00 0.00 177.57 176.32 3hfw h MET 317 N 0.82 0.36 -0.00 1.57 2.07 -1.25 -3.41 114.93 115.08 3hfw h MET 317 Ca 0.48 -0.61 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 3hfw h MET 317 Cb 0.58 0.23 0.00 0.00 -1.87 0.00 0.00 31.60 30.53 3hfw h MET 317 CO -0.31 1.25 -0.03 0.66 1.07 0.00 0.00 176.91 179.56 3hfw n TYR 318 N -3.55 0.00 -3.86 -0.22 4.01 -0.06 -5.10 117.16 108.38 3hfw n TYR 318 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 3hfw n TYR 318 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 3hfw n TYR 318 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hfw n GLY 319 N 0.39 3.04 1.39 2.72 0.00 0.30 -2.80 105.19 110.23 3hfw n GLY 319 Ca 0.01 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.80 3hfw n GLY 319 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hfw n PHE 320 N 13.92 1.28 -1.87 1.61 3.72 -1.26 -4.61 117.46 130.24 3hfw n PHE 320 Ca 0.00 -0.62 -0.42 0.00 -0.05 0.00 0.00 57.45 56.36 3hfw n PHE 320 Cb 0.00 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 3hfw n PHE 320 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3hfw s LYS 321 N -1.78 4.02 -0.02 -1.08 2.20 -1.12 -1.86 119.74 120.09 3hfw s LYS 321 Ca 0.47 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 3hfw s LYS 321 Cb 0.30 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 3hfw s LYS 321 CO 0.23 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 3hfw n GLY 322 N 4.50 0.47 3.69 5.54 0.00 -1.26 -4.79 105.19 113.34 3hfw n GLY 322 Ca 0.20 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3hfw n GLY 322 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hfw s VAL 323 N -1.94 5.16 0.18 1.61 1.01 -0.78 -4.78 120.40 120.86 3hfw s VAL 323 Ca 0.00 0.90 -0.32 0.00 0.00 0.00 0.00 61.98 62.56 3hfw s VAL 323 Cb 0.00 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 3hfw s VAL 323 CO 0.00 0.26 1.62 -0.55 0.00 0.00 0.00 175.10 176.43 3hfw s SER 324 N 0.88 6.51 0.34 3.32 0.15 -1.26 -4.90 113.70 118.75 3hfw s SER 324 Ca 0.24 2.71 0.07 0.00 0.70 0.00 0.00 55.95 59.67 3hfw s SER 324 Cb -0.15 -2.60 0.76 0.00 -1.71 0.00 0.00 66.02 62.32 3hfw s SER 324 CO 0.09 -0.88 1.87 -0.65 1.20 0.00 0.00 173.24 174.88 3hfw h PRO 325 N 6.73 0.74 -0.21 5.44 0.11 -1.96 -1.57 132.00 141.28 3hfw h PRO 325 Ca -0.43 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.70 3hfw h PRO 325 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3hfw h PRO 325 CO 0.92 0.49 0.32 0.66 -0.21 0.00 0.00 178.00 180.19 3hfw h SER 326 N 0.76 0.00 0.75 -2.05 4.64 -1.86 -0.48 113.55 115.31 3hfw h SER 326 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3hfw h SER 326 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3hfw h SER 326 CO -0.21 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.34 3hfw n ASN 327 N -3.45 0.30 0.00 4.97 4.13 -0.59 -1.84 115.26 118.77 3hfw n ASN 327 Ca 0.02 0.56 0.00 0.00 1.68 0.00 0.00 54.58 56.84 3hfw n ASN 327 Cb 0.44 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 3hfw n ASN 327 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hfw n TYR 328 N -1.81 0.00 -0.21 3.10 0.18 -0.54 -4.68 117.16 113.20 3hfw n TYR 328 Ca 0.04 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.82 3hfw n TYR 328 Cb 0.24 0.00 0.23 0.00 -0.38 0.00 0.00 39.34 39.43 3hfw n TYR 328 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 3hfw h GLU 329 N 0.00 0.98 -0.46 -3.48 5.08 -1.32 -2.21 114.58 113.16 3hfw h GLU 329 Ca 0.00 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.07 3hfw h GLU 329 Cb 0.00 -0.21 -0.12 0.00 0.50 0.00 0.00 28.75 28.92 3hfw h GLU 329 CO 0.00 0.69 0.07 1.63 -1.00 0.00 0.00 179.01 180.39 3hfw n LYS 330 N -4.39 2.17 -2.17 2.33 5.02 -1.26 -5.02 118.16 114.84 3hfw n LYS 330 Ca 0.08 -3.10 -0.41 0.00 -2.02 0.00 0.00 58.31 52.86 3hfw n LYS 330 Cb 0.07 -1.90 -0.03 0.00 -0.02 0.00 0.00 35.03 33.15 3hfw n LYS 330 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hfw s LEU 331 N -3.18 4.43 0.22 -0.35 2.96 -0.84 -4.04 118.68 117.89 3hfw s LEU 331 Ca 0.47 2.56 -0.31 0.00 -0.22 0.00 0.00 54.13 56.63 3hfw s LEU 331 Cb 0.41 -3.63 -0.14 0.00 0.50 0.00 0.00 46.19 43.32 3hfw s LEU 331 CO 0.04 -0.51 1.26 1.21 -1.32 0.00 0.00 176.35 177.03 3hfw n GLU 332 N 1.54 1.61 -1.43 1.98 2.13 -1.26 -1.89 120.64 123.33 3hfw n GLU 332 Ca 0.02 0.57 -0.15 0.00 0.66 0.00 0.00 57.16 58.27 3hfw n GLU 332 Cb 0.42 -2.13 -0.06 0.00 0.27 0.00 0.00 31.44 29.94 3hfw n GLU 332 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3hfw n TYR 333 N 1.51 0.00 -0.22 4.31 4.01 -1.26 -4.89 117.16 120.62 3hfw n TYR 333 Ca 0.13 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.88 3hfw n TYR 333 Cb 0.29 -2.74 0.13 0.00 -0.31 0.00 0.00 39.34 36.71 3hfw n TYR 333 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3hfw h ARG 334 N 0.03 0.38 -0.55 -0.72 2.43 -1.75 0.12 114.38 114.32 3hfw h ARG 334 Ca -0.30 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 3hfw h ARG 334 Cb 1.06 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 3hfw h ARG 334 CO 0.44 0.25 0.16 -0.97 -1.51 0.00 0.00 179.97 178.34 3hfw h ASN 335 N 0.40 0.81 -0.49 -3.80 -0.73 -1.90 0.28 115.58 110.16 3hfw h ASN 335 Ca 0.34 -0.22 -0.05 0.00 1.87 0.00 0.00 56.30 58.25 3hfw h ASN 335 Cb 0.46 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.82 3hfw h ASN 335 CO -0.35 0.81 0.12 0.03 -0.37 0.00 0.00 177.43 177.68 3hfw h ARG 336 N 0.77 0.78 -0.41 6.67 3.08 -1.78 -0.93 114.38 122.55 3hfw h ARG 336 Ca 0.18 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.08 3hfw h ARG 336 Cb 0.30 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3hfw h ARG 336 CO -0.00 0.75 0.19 -0.07 -1.07 0.00 0.00 179.97 179.77 3hfw h LEU 337 N 0.66 0.27 -0.50 3.04 3.38 -0.35 -1.40 115.31 120.41 3hfw h LEU 337 Ca 0.15 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3hfw h LEU 337 Cb 0.32 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3hfw h LEU 337 CO 0.00 0.19 -0.13 -0.33 0.09 0.00 0.00 178.44 178.27 3hfw h GLU 338 N 0.39 0.96 -0.45 1.13 5.08 -0.72 -1.59 114.58 119.39 3hfw h GLU 338 Ca 0.18 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 3hfw h GLU 338 Cb 0.10 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3hfw h GLU 338 CO -0.14 1.04 0.01 1.49 -1.00 0.00 0.00 179.01 180.41 3hfw h GLU 339 N 0.82 0.78 0.00 2.33 4.81 -1.05 -1.53 114.58 120.75 3hfw h GLU 339 Ca 0.12 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.98 3hfw h GLU 339 Cb 0.69 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3hfw h GLU 339 CO 0.05 0.84 -0.60 1.79 -0.73 0.00 0.00 179.01 180.36 3hfw h THR 340 N 0.63 1.32 -0.32 0.32 1.35 -1.21 -2.10 112.91 112.90 3hfw h THR 340 Ca 0.13 -2.15 -0.01 0.00 -0.55 0.00 0.00 66.41 63.83 3hfw h THR 340 Cb 0.48 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3hfw h THR 340 CO 0.02 0.59 0.15 0.00 -0.25 0.00 0.00 175.52 176.04 3hfw h ALA 341 N 1.40 0.41 -0.77 6.62 0.00 -0.94 0.14 119.26 126.11 3hfw h ALA 341 Ca -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3hfw h ALA 341 Cb 1.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3hfw h ALA 341 CO 0.08 -0.03 0.34 0.00 0.00 0.00 0.00 179.25 179.64 3hfw h ARG 342 N 0.38 1.14 -0.46 0.00 3.08 -1.10 0.25 114.38 117.66 3hfw h ARG 342 Ca 0.11 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 3hfw h ARG 342 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3hfw h ARG 342 CO -0.01 0.91 -0.23 0.00 -1.07 0.00 0.00 179.97 179.56 3hfw h ALA 343 N 1.17 0.70 -0.77 0.04 0.00 -1.14 -2.11 119.26 117.15 3hfw h ALA 343 Ca 0.26 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3hfw h ALA 343 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hfw h ALA 343 CO -0.03 0.67 0.30 -0.07 0.00 0.00 0.00 179.25 180.13 3hfw h LEU 344 N 0.83 1.07 -0.24 0.00 3.38 -0.44 -2.43 115.31 117.49 3hfw h LEU 344 Ca 0.10 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3hfw h LEU 344 Cb 0.81 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3hfw h LEU 344 CO 0.07 0.96 -0.11 0.22 0.09 0.00 0.00 178.44 179.67 3hfw h TYR 345 N 1.12 -0.25 -0.92 1.13 3.20 -0.80 0.77 116.97 121.22 3hfw h TYR 345 Ca 0.26 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.21 3hfw h TYR 345 Cb 0.23 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 3hfw h TYR 345 CO 0.02 -0.17 0.58 0.77 -1.64 0.00 0.00 178.16 177.73 3hfw h SER 346 N -0.07 0.93 0.17 -2.11 0.02 -1.13 0.24 113.55 111.60 3hfw h SER 346 Ca 0.13 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3hfw h SER 346 Cb 0.26 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3hfw h SER 346 CO -0.29 0.61 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.86 3hfw h LEU 347 N 1.08 -0.19 -1.22 5.07 3.38 -1.14 -3.34 115.31 118.95 3hfw h LEU 347 Ca 0.39 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hfw h LEU 347 Cb 0.14 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3hfw h LEU 347 CO -0.16 0.34 0.50 1.23 0.09 0.00 0.00 178.44 180.43 3hfw h GLY 348 N -0.83 1.09 -1.15 0.83 0.00 0.74 -2.92 103.07 100.84 3hfw h GLY 348 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3hfw h GLY 348 CO 0.04 0.41 0.00 -1.14 0.00 0.00 0.00 176.54 175.85 3hfw n SER 349 N -4.41 1.66 -3.68 0.19 3.41 0.83 -4.37 113.62 107.25 3hfw n SER 349 Ca 0.08 -2.05 -0.17 0.00 -0.26 0.00 0.00 58.87 56.47 3hfw n SER 349 Cb 0.04 -0.24 -0.16 0.00 -0.26 0.00 0.00 64.21 63.59 3hfw n SER 349 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hfw s LYS 350 N -1.64 0.01 0.12 4.33 2.20 -1.10 -5.03 119.74 118.63 3hfw s LYS 350 Ca 0.19 0.48 -0.31 0.00 -0.36 0.00 0.00 55.97 55.97 3hfw s LYS 350 Cb 0.10 -0.32 -0.10 0.00 -1.51 0.00 0.00 37.83 36.01 3hfw s LYS 350 CO 0.11 -0.29 1.71 -2.00 -0.36 0.00 0.00 175.35 174.52 3hfw s GLU 351 N 2.09 4.17 0.28 4.03 2.12 -1.26 -4.90 118.70 125.23 3hfw s GLU 351 Ca 0.02 2.46 0.03 0.00 0.36 0.00 0.00 54.97 57.84 3hfw s GLU 351 Cb -0.12 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 3hfw s GLU 351 CO -0.05 -0.75 0.19 0.16 -0.54 0.00 0.00 175.26 174.27 3hfw s ASP 352 N 2.16 1.13 0.03 -1.70 -4.77 -1.26 -5.12 116.67 107.14 3hfw s ASP 352 Ca 0.76 -1.57 0.07 0.00 -3.30 0.00 0.00 52.55 48.51 3hfw s ASP 352 Cb -0.44 0.44 -0.02 0.00 -1.09 0.00 0.00 42.92 41.81 3hfw s ASP 352 CO 0.33 -0.93 -0.20 -0.89 0.70 0.00 0.00 175.17 174.19 3hfw s THR 353 N -3.74 1.59 0.46 2.11 2.01 -1.26 -4.89 115.64 111.93 3hfw s THR 353 Ca 0.38 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 3hfw s THR 353 Cb 0.05 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 3hfw s THR 353 CO 0.19 0.24 0.72 0.68 -0.69 0.00 0.00 174.62 175.76 3hfw s VAL 354 N -0.72 4.53 -0.36 3.82 -7.23 -1.26 -4.31 120.40 114.87 3hfw s VAL 354 Ca 0.07 -0.15 -0.17 0.00 -1.81 0.00 0.00 61.98 59.91 3hfw s VAL 354 Cb -0.08 -3.70 -0.00 0.00 0.56 0.00 0.00 36.38 33.15 3hfw s VAL 354 CO 0.01 -0.60 0.45 -0.63 -0.31 0.00 0.00 175.10 174.03 3hfw s ILE 355 N -2.64 5.07 0.93 -0.62 1.09 -0.45 -4.98 121.20 119.60 3hfw s ILE 355 Ca 0.47 0.16 -0.12 0.00 -1.10 0.00 0.00 60.65 60.06 3hfw s ILE 355 Cb -0.10 -3.92 0.15 0.00 -1.06 0.00 0.00 42.46 37.52 3hfw s ILE 355 CO 0.41 -0.20 1.13 -0.94 -0.10 0.00 0.00 174.94 175.24 3hfw s SER 356 N 1.76 3.30 0.00 3.58 1.04 -1.26 -1.36 113.70 120.76 3hfw s SER 356 Ca 0.16 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.59 3hfw s SER 356 Cb -0.16 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.36 3hfw s SER 356 CO 0.13 -2.69 0.48 0.18 0.98 0.00 0.00 173.24 172.32