#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfr s GLN 3 N 0.00 2.09 0.47 1.64 -0.21 -1.26 -5.07 119.66 117.32 3hfr s GLN 3 Ca 0.00 -1.00 -0.06 0.00 0.02 0.00 0.00 55.36 54.32 3hfr s GLN 3 Cb 0.00 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3hfr s GLN 3 CO 0.00 0.53 0.79 0.00 -2.12 0.00 0.00 175.29 174.49 3hfr s ALA 4 N -1.06 3.38 -0.16 6.09 0.00 -1.16 -4.64 121.76 124.21 3hfr s ALA 4 Ca 0.17 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 3hfr s ALA 4 Cb -0.11 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 3hfr s ALA 4 CO 0.09 -0.30 0.74 0.42 0.00 0.00 0.00 175.76 176.71 3hfr s ILE 5 N -2.69 4.95 0.11 0.00 1.01 -0.13 -1.18 121.20 123.27 3hfr s ILE 5 Ca 0.48 1.45 -0.19 0.00 0.00 0.00 0.00 60.65 62.39 3hfr s ILE 5 Cb -0.10 -4.05 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 3hfr s ILE 5 CO 0.43 0.09 0.60 -0.83 0.00 0.00 0.00 174.94 175.23 3hfr s GLY 6 N 1.12 2.65 -0.05 6.18 0.00 -1.26 -1.20 107.32 114.76 3hfr s GLY 6 Ca 0.35 0.05 0.03 0.00 0.00 0.00 0.00 44.72 45.14 3hfr s GLY 6 CO 0.12 0.45 -0.12 -1.36 0.00 0.00 0.00 173.10 172.19 3hfr s PHE 7 N -1.23 1.34 -0.03 1.90 0.08 0.46 -0.08 117.98 120.42 3hfr s PHE 7 Ca 0.33 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 57.00 3hfr s PHE 7 Cb -0.19 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.27 3hfr s PHE 7 CO 0.20 -0.22 -0.24 0.96 -0.10 0.00 0.00 175.22 175.82 3hfr s ILE 8 N 0.50 1.89 0.15 0.64 -4.36 -0.69 -0.76 121.20 118.56 3hfr s ILE 8 Ca -0.11 -1.01 -0.12 0.00 -0.26 0.00 0.00 60.65 59.16 3hfr s ILE 8 Cb -0.14 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 42.00 3hfr s ILE 8 CO 0.03 0.53 0.33 -0.62 0.24 0.00 0.00 174.94 175.45 3hfr s ASP 9 N -0.41 -0.05 0.32 4.36 2.15 -0.25 -1.34 116.67 121.45 3hfr s ASP 9 Ca 0.05 -0.66 0.26 0.00 0.43 0.00 0.00 52.55 52.63 3hfr s ASP 9 Cb -0.11 0.45 0.86 0.00 -0.30 0.00 0.00 42.92 43.83 3hfr s ASP 9 CO 0.01 -0.89 1.76 0.77 -0.17 0.00 0.00 175.17 176.65 3hfr h SER 10 N 2.48 0.00 0.00 -0.34 4.64 -1.87 -0.24 113.55 118.22 3hfr h SER 10 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3hfr h SER 10 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3hfr h SER 10 CO 0.47 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 3hfr n GLY 11 N 0.69 2.62 0.07 -0.77 0.00 -1.26 -2.48 105.19 104.06 3hfr n GLY 11 Ca 0.03 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3hfr n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hfr n VAL 12 N 0.00 0.39 -0.22 1.61 0.24 -1.26 -4.45 118.33 114.64 3hfr n VAL 12 Ca 0.00 -0.37 0.02 0.00 -2.04 0.00 0.00 64.34 61.95 3hfr n VAL 12 Cb 0.00 -0.11 0.13 0.00 -1.47 0.00 0.00 33.84 32.39 3hfr n VAL 12 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hfr h GLY 13 N 4.33 0.89 1.59 7.63 0.00 -1.97 -0.99 103.07 114.56 3hfr h GLY 13 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3hfr h GLY 13 CO 0.00 -0.11 0.18 -1.33 0.00 0.00 0.00 176.54 175.28 3hfr h GLY 14 N 0.32 0.00 1.54 4.60 0.00 -1.81 -1.01 103.07 106.70 3hfr h GLY 14 Ca 0.35 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.72 3hfr h GLY 14 CO -0.40 0.00 0.19 1.41 0.00 0.00 0.00 176.54 177.74 3hfr h LEU 15 N 0.00 0.00 -1.55 3.11 3.38 -1.48 0.46 115.31 119.23 3hfr h LEU 15 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hfr h LEU 15 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hfr h LEU 15 CO -0.00 0.00 -0.12 0.71 0.09 0.00 0.00 178.44 179.12 3hfr h THR 16 N 0.00 0.35 0.18 0.22 1.35 -1.37 -0.31 112.91 113.34 3hfr h THR 16 Ca 0.06 -0.72 -0.35 0.00 -0.55 0.00 0.00 66.41 64.85 3hfr h THR 16 Cb 0.45 1.53 0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3hfr h THR 16 CO -0.00 0.11 -1.77 0.58 -0.25 0.00 0.00 175.52 174.20 3hfr h VAL 17 N 0.00 0.92 -0.96 6.82 2.07 -1.12 -3.28 116.25 120.70 3hfr h VAL 17 Ca -0.00 -2.51 0.07 0.00 0.82 0.00 0.00 66.70 65.08 3hfr h VAL 17 Cb 0.52 2.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.98 3hfr h VAL 17 CO 0.02 0.86 0.62 0.58 0.02 0.00 0.00 177.57 179.67 3hfr h VAL 18 N 0.11 1.06 -0.74 2.57 2.07 -1.20 -2.25 116.25 117.87 3hfr h VAL 18 Ca -0.35 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3hfr h VAL 18 Cb 2.10 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3hfr h VAL 18 CO 0.17 0.20 0.44 -0.09 0.02 0.00 0.00 177.57 178.31 3hfr h ARG 19 N 1.09 0.78 -0.02 1.57 2.43 -1.12 -0.41 114.38 118.70 3hfr h ARG 19 Ca 0.42 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.38 3hfr h ARG 19 Cb 0.21 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3hfr h ARG 19 CO -0.17 0.51 -0.70 0.93 -1.51 0.00 0.00 179.97 179.03 3hfr h GLU 20 N 0.80 0.13 -0.63 0.20 4.39 -1.50 -2.56 114.58 115.41 3hfr h GLU 20 Ca 0.33 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 3hfr h GLU 20 Cb 0.17 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3hfr h GLU 20 CO -0.18 0.78 0.06 0.28 -1.16 0.00 0.00 179.01 178.79 3hfr h VAL 21 N 0.08 1.26 -0.81 3.13 2.07 -1.02 -0.27 116.25 120.68 3hfr h VAL 21 Ca -0.02 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.44 3hfr h VAL 21 Cb 1.25 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3hfr h VAL 21 CO 0.10 0.40 0.54 -0.07 0.02 0.00 0.00 177.57 178.56 3hfr h LEU 22 N 0.98 0.93 -0.16 2.57 3.38 -0.88 0.29 115.31 122.42 3hfr h LEU 22 Ca 0.19 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3hfr h LEU 22 Cb 0.49 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hfr h LEU 22 CO 0.02 0.67 -0.26 0.11 0.09 0.00 0.00 178.44 179.06 3hfr h LYS 23 N 1.09 0.45 0.00 1.13 1.57 -1.17 -3.21 116.57 116.44 3hfr h LYS 23 Ca 0.30 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3hfr h LYS 23 Cb -0.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3hfr h LYS 23 CO -0.07 0.88 -1.41 1.04 -0.57 0.00 0.00 179.45 179.32 3hfr n GLN 24 N -4.42 0.62 -3.16 3.15 6.02 -0.14 -4.43 117.38 115.03 3hfr n GLN 24 Ca -0.06 0.17 -0.23 0.00 -0.01 0.00 0.00 57.00 56.87 3hfr n GLN 24 Cb 0.45 -1.78 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 3hfr n GLN 24 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hfr n LEU 25 N -2.81 1.92 0.14 1.08 4.77 0.10 -4.96 117.00 117.24 3hfr n LEU 25 Ca -0.09 -5.16 0.11 0.00 -0.03 0.00 0.00 56.01 50.85 3hfr n LEU 25 Cb 0.78 0.23 0.51 0.00 -2.33 0.00 0.00 43.42 42.61 3hfr n LEU 25 CO 0.43 2.23 0.83 -0.81 -1.33 0.00 0.00 177.39 178.74 3hfr n PRO 26 N 0.46 0.16 0.01 3.23 -0.04 -1.21 -1.98 135.00 135.63 3hfr n PRO 26 Ca 0.26 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.36 3hfr n PRO 26 Cb 0.54 -1.89 0.46 0.00 -0.04 0.00 0.00 33.50 32.57 3hfr n PRO 26 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hfr n HIS 27 N -2.20 0.13 -3.65 0.54 8.25 -1.26 -4.89 115.22 112.14 3hfr n HIS 27 Ca 0.01 0.04 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 3hfr n HIS 27 Cb 0.14 -0.48 -0.06 0.00 1.12 0.00 0.00 29.99 30.71 3hfr n HIS 27 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hfr s GLU 28 N -3.02 3.78 0.22 -0.41 0.41 -0.84 -4.56 118.70 114.29 3hfr s GLU 28 Ca 0.12 0.16 -0.16 0.00 -0.41 0.00 0.00 54.97 54.68 3hfr s GLU 28 Cb 0.17 -3.24 -0.08 0.00 -1.78 0.00 0.00 34.13 29.21 3hfr s GLU 28 CO 0.60 0.66 0.66 1.14 -0.49 0.00 0.00 175.26 177.83 3hfr s GLN 29 N -0.84 4.09 -0.04 1.61 -2.07 -1.26 -4.98 119.66 116.16 3hfr s GLN 29 Ca 0.19 0.67 0.05 0.00 -1.82 0.00 0.00 55.36 54.45 3hfr s GLN 29 Cb -0.14 -2.79 -0.02 0.00 -1.09 0.00 0.00 33.01 28.96 3hfr s GLN 29 CO 0.08 0.37 -0.18 0.14 -1.32 0.00 0.00 175.29 174.38 3hfr s VAL 30 N -1.62 2.75 -0.22 3.63 -7.23 -1.26 -0.95 120.40 115.49 3hfr s VAL 30 Ca 0.44 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.75 3hfr s VAL 30 Cb -0.14 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.77 3hfr s VAL 30 CO 0.20 0.59 -0.09 -0.31 -0.31 0.00 0.00 175.10 175.17 3hfr s TYR 31 N -0.66 2.97 -0.10 2.82 2.02 -0.34 -1.82 117.35 122.24 3hfr s TYR 31 Ca 0.10 -1.44 0.03 0.00 -0.37 0.00 0.00 57.07 55.39 3hfr s TYR 31 Cb -0.11 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3hfr s TYR 31 CO 0.00 -0.71 -0.20 -0.47 -1.57 0.00 0.00 175.55 172.60 3hfr s TYR 32 N 1.35 2.63 -0.21 2.71 5.04 -0.63 -0.40 117.35 127.84 3hfr s TYR 32 Ca 0.03 -0.82 0.01 0.00 -2.44 0.00 0.00 57.07 53.84 3hfr s TYR 32 Cb -0.15 -1.73 0.05 0.00 0.35 0.00 0.00 41.96 40.47 3hfr s TYR 32 CO -0.06 -0.29 -0.09 -1.17 -1.34 0.00 0.00 175.55 172.59 3hfr s LEU 33 N 0.21 2.40 -0.21 6.97 2.96 0.06 -0.04 118.68 131.04 3hfr s LEU 33 Ca -0.13 -0.97 -0.04 0.00 -0.22 0.00 0.00 54.13 52.77 3hfr s LEU 33 Cb -0.16 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 3hfr s LEU 33 CO 0.07 -0.16 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.08 3hfr s GLY 34 N 1.38 1.65 -1.32 7.98 0.00 -0.33 -1.09 107.32 115.58 3hfr s GLY 34 Ca -0.03 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.56 3hfr s GLY 34 CO -0.08 0.32 2.36 1.34 0.00 0.00 0.00 173.10 177.05 3hfr n ASP 35 N 4.52 7.91 0.26 1.64 2.03 -0.10 -2.78 116.55 130.02 3hfr n ASP 35 Ca -0.18 -3.14 0.09 0.00 0.52 0.00 0.00 54.79 52.09 3hfr n ASP 35 Cb 0.51 -1.37 0.66 0.00 -0.72 0.00 0.00 41.12 40.21 3hfr n ASP 35 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3hfr h THR 36 N 2.66 0.90 0.00 5.18 2.02 -1.79 -2.13 112.91 119.75 3hfr h THR 36 Ca 0.69 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.60 3hfr h THR 36 Cb 0.32 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3hfr h THR 36 CO 1.49 0.07 -0.04 0.00 0.37 0.00 0.00 175.52 177.41 3hfr h ALA 37 N 1.93 1.62 0.00 6.16 0.00 -1.85 -3.14 119.26 123.97 3hfr h ALA 37 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hfr h ALA 37 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hfr h ALA 37 CO 0.01 0.04 -0.01 0.54 0.00 0.00 0.00 179.25 179.83 3hfr n ARG 38 N -4.02 2.24 -2.72 0.00 1.74 -0.82 -5.03 116.66 108.05 3hfr n ARG 38 Ca -0.03 -1.78 -0.27 0.00 -0.77 0.00 0.00 57.85 55.01 3hfr n ARG 38 Cb 0.12 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3hfr n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hfr s PRO 40 N -4.70 3.75 0.16 0.00 0.04 -1.26 -5.04 135.00 127.95 3hfr s PRO 40 Ca 0.47 1.60 0.14 0.00 0.04 0.00 0.00 61.00 63.25 3hfr s PRO 40 Cb -0.10 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 3hfr s PRO 40 CO 0.44 -0.52 1.17 1.88 0.04 0.00 0.00 177.00 180.00 3hfr h TYR 41 N 1.83 0.00 -0.87 0.56 -1.99 -1.94 -3.41 116.97 111.15 3hfr h TYR 41 Ca -0.49 0.00 0.22 0.00 2.00 0.00 0.00 58.73 60.45 3hfr h TYR 41 Cb 1.24 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 39.82 3hfr h TYR 41 CO 0.54 0.65 0.03 0.78 -0.00 0.00 0.00 178.16 180.17 3hfr h GLY 42 N 3.48 1.05 -3.53 3.88 0.00 -1.99 -1.15 103.07 104.80 3hfr h GLY 42 Ca -0.07 0.12 -0.35 0.00 0.00 0.00 0.00 47.33 47.02 3hfr h GLY 42 CO 0.07 -0.38 0.44 -1.55 0.00 0.00 0.00 176.54 175.12 3hfr n PRO 43 N -5.39 2.40 -3.78 4.80 -0.04 -1.26 -4.73 135.00 127.00 3hfr n PRO 43 Ca 0.18 -2.47 -0.21 0.00 -0.04 0.00 0.00 63.50 60.96 3hfr n PRO 43 Cb 0.60 -1.99 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 3hfr n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hfr s ARG 44 N -2.64 2.99 0.27 0.54 0.52 -0.44 -5.07 118.95 115.12 3hfr s ARG 44 Ca 0.46 -1.08 -0.31 0.00 -0.52 0.00 0.00 55.73 54.28 3hfr s ARG 44 Cb 0.38 -2.66 -0.12 0.00 0.52 0.00 0.00 34.95 33.06 3hfr s ARG 44 CO 0.10 0.19 1.50 -3.47 0.02 0.00 0.00 175.30 173.63 3hfr n ASP 45 N -1.43 3.31 -0.27 0.23 4.64 -1.26 -4.91 116.55 116.86 3hfr n ASP 45 Ca -0.03 1.15 -0.02 0.00 -1.38 0.00 0.00 54.79 54.51 3hfr n ASP 45 Cb 0.58 -1.51 0.10 0.00 -1.04 0.00 0.00 41.12 39.26 3hfr n ASP 45 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 3hfr h LYS 46 N 4.47 0.87 -0.28 -0.67 5.09 -1.97 -1.73 116.57 122.34 3hfr h LYS 46 Ca -0.46 -0.05 -0.05 0.00 0.09 0.00 0.00 60.65 60.18 3hfr h LYS 46 Cb 1.25 -0.20 -0.01 0.00 0.10 0.00 0.00 32.23 33.37 3hfr h LYS 46 CO 0.77 0.57 -0.03 1.05 -2.09 0.00 0.00 179.45 179.73 3hfr h GLU 47 N 0.89 0.51 -0.63 0.07 -0.00 -1.94 -3.22 114.58 110.28 3hfr h GLU 47 Ca 0.32 -0.18 -0.04 0.00 -0.00 0.00 0.00 59.36 59.46 3hfr h GLU 47 Cb 0.09 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 28.77 3hfr h GLU 47 CO -0.14 0.69 0.24 1.49 -0.00 0.00 0.00 179.01 181.29 3hfr h GLU 48 N 0.29 0.92 -0.49 1.06 4.81 -1.85 -2.09 114.58 117.22 3hfr h GLU 48 Ca 0.08 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3hfr h GLU 48 Cb 0.47 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3hfr h GLU 48 CO 0.02 0.76 0.28 0.28 -0.73 0.00 0.00 179.01 179.62 3hfr h VAL 49 N 0.90 1.15 -0.47 0.32 2.07 -1.36 -2.37 116.25 116.48 3hfr h VAL 49 Ca 0.21 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3hfr h VAL 49 Cb 0.19 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3hfr h VAL 49 CO -0.02 0.16 0.09 0.00 0.02 0.00 0.00 177.57 177.82 3hfr h ALA 50 N 1.64 0.62 -0.65 1.67 0.00 -1.39 -0.44 119.26 120.72 3hfr h ALA 50 Ca 0.17 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hfr h ALA 50 Cb -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3hfr h ALA 50 CO -0.03 0.33 0.36 -0.22 0.00 0.00 0.00 179.25 179.69 3hfr h LYS 51 N 0.64 0.65 -0.04 0.00 3.64 -1.30 0.99 116.57 121.16 3hfr h LYS 51 Ca 0.15 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3hfr h LYS 51 Cb 0.36 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3hfr h LYS 51 CO 0.01 0.43 -0.00 0.74 -2.27 0.00 0.00 179.45 178.35 3hfr h PHE 52 N 0.67 0.07 -0.59 1.91 -1.00 -1.20 -1.60 116.94 115.21 3hfr h PHE 52 Ca 0.29 -0.01 0.09 0.00 2.81 0.00 0.00 57.97 61.14 3hfr h PHE 52 Cb 0.16 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 39.64 3hfr h PHE 52 CO -0.08 0.37 0.21 1.15 -1.61 0.00 0.00 178.31 178.35 3hfr h THR 53 N -0.24 0.78 -0.84 -1.55 2.02 -0.94 -1.86 112.91 110.28 3hfr h THR 53 Ca 0.01 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3hfr h THR 53 Cb 0.34 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3hfr h THR 53 CO 0.00 0.07 0.50 -0.50 0.37 0.00 0.00 175.52 175.97 3hfr h TRP 54 N 0.39 1.11 0.00 3.16 4.06 -0.69 -1.73 115.95 122.25 3hfr h TRP 54 Ca 0.29 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 3hfr h TRP 54 Cb 0.35 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 3hfr h TRP 54 CO -0.17 0.74 0.00 0.39 -3.56 0.00 0.00 178.44 175.84 3hfr n GLU 55 N -4.43 0.08 0.00 0.49 1.02 -0.61 -1.11 120.64 116.07 3hfr n GLU 55 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3hfr n GLU 55 Cb 0.06 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3hfr n GLU 55 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hfr n THR 57 N 0.62 0.00 -0.27 2.62 -1.04 -0.65 -2.38 114.28 113.18 3hfr n THR 57 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 3hfr n THR 57 Cb 0.03 0.00 0.27 0.00 -1.82 0.00 0.00 70.33 68.81 3hfr n THR 57 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3hfr h ASN 58 N 0.00 0.84 -0.56 8.00 2.35 -1.39 0.88 115.58 125.70 3hfr h ASN 58 Ca 0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3hfr h ASN 58 Cb 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3hfr h ASN 58 CO 0.00 0.54 0.30 0.15 -1.65 0.00 0.00 177.43 176.77 3hfr h PHE 59 N 0.96 0.78 0.09 1.19 3.57 -1.72 -1.55 116.94 120.26 3hfr h PHE 59 Ca 0.37 -0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.56 3hfr h PHE 59 Cb 0.21 -0.25 0.02 0.00 2.79 0.00 0.00 35.95 38.73 3hfr h PHE 59 CO -0.00 0.58 -1.20 -0.07 -2.23 0.00 0.00 178.31 175.39 3hfr h LEU 60 N 0.76 0.83 -0.92 0.59 3.38 -1.65 -3.15 115.31 115.16 3hfr h LEU 60 Ca 0.20 -0.75 0.06 0.00 0.09 0.00 0.00 57.88 57.48 3hfr h LEU 60 Cb 0.06 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3hfr h LEU 60 CO -0.03 1.56 0.58 0.58 0.09 0.00 0.00 178.44 181.22 3hfr h VAL 61 N 0.28 1.06 -0.11 1.22 2.07 -0.84 -1.44 116.25 118.50 3hfr h VAL 61 Ca -0.17 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3hfr h VAL 61 Cb 1.86 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3hfr h VAL 61 CO 0.23 0.19 0.09 0.44 0.02 0.00 0.00 177.57 178.54 3hfr h ASP 62 N 1.06 0.00 -0.62 0.57 3.32 -1.24 -2.17 116.42 117.33 3hfr h ASP 62 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3hfr h ASP 62 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3hfr h ASP 62 CO -0.17 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.89 3hfr n ARG 63 N -4.19 2.51 -1.55 3.56 1.74 -0.56 -5.00 116.66 113.17 3hfr n ARG 63 Ca -0.00 -2.26 -0.00 0.00 -0.77 0.00 0.00 57.85 54.81 3hfr n ARG 63 Cb 0.21 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3hfr n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hfr n GLY 64 N 1.46 -1.54 3.35 -0.13 0.00 -0.82 -4.88 105.19 102.63 3hfr n GLY 64 Ca 0.21 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3hfr n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hfr s ILE 65 N -0.69 2.30 -0.27 -0.61 1.09 -1.25 -2.96 121.20 118.82 3hfr s ILE 65 Ca 0.01 -1.04 0.12 0.00 -1.10 0.00 0.00 60.65 58.64 3hfr s ILE 65 Cb -0.00 -1.83 0.65 0.00 -1.06 0.00 0.00 42.46 40.22 3hfr s ILE 65 CO 0.03 0.57 1.63 2.29 -0.10 0.00 0.00 174.94 179.36 3hfr n LYS 66 N 2.36 3.32 -3.68 2.79 2.85 -0.33 -4.92 118.16 120.55 3hfr n LYS 66 Ca -0.16 -3.04 -0.11 0.00 -1.05 0.00 0.00 58.31 53.95 3hfr n LYS 66 Cb 0.51 -2.05 -0.12 0.00 -0.65 0.00 0.00 35.03 32.73 3hfr n LYS 66 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hfr s LEU 68 N -2.96 -0.20 -0.21 -5.58 2.96 -0.35 -4.37 118.68 107.97 3hfr s LEU 68 Ca 0.50 0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 55.09 3hfr s LEU 68 Cb 0.40 1.06 -0.04 0.00 0.50 0.00 0.00 46.19 48.11 3hfr s LEU 68 CO 0.10 -0.21 0.10 -0.69 -1.32 0.00 0.00 176.35 174.33 3hfr s VAL 69 N 1.97 4.96 -0.64 1.68 1.01 0.88 -1.37 120.40 128.89 3hfr s VAL 69 Ca -0.05 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 3hfr s VAL 69 Cb -0.11 -3.27 0.16 0.00 0.00 0.00 0.00 36.38 33.16 3hfr s VAL 69 CO -0.11 0.41 0.60 -0.63 0.00 0.00 0.00 175.10 175.37 3hfr s ILE 70 N 0.74 5.31 -1.16 2.22 1.01 0.26 -1.71 121.20 127.87 3hfr s ILE 70 Ca 0.05 -1.78 0.26 0.00 0.00 0.00 0.00 60.65 59.18 3hfr s ILE 70 Cb -0.13 -4.39 0.31 0.00 0.01 0.00 0.00 42.46 38.26 3hfr s ILE 70 CO 0.02 -0.94 1.87 0.00 0.00 0.00 0.00 174.94 175.88 3hfr n ALA 71 N 4.91 2.25 -2.63 9.38 0.00 -0.45 -3.80 120.51 130.18 3hfr n ALA 71 Ca -0.05 -0.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 3hfr n ALA 71 Cb 0.42 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 3hfr n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfr h ASN 73 N 7.92 0.53 0.02 0.00 4.21 -1.94 -0.94 115.58 125.38 3hfr h ASN 73 Ca -0.32 -0.12 -0.15 0.00 1.21 0.00 0.00 56.30 56.92 3hfr h ASN 73 Cb 1.16 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.21 3hfr h ASN 73 CO 0.67 0.64 -0.49 0.74 -1.29 0.00 0.00 177.43 177.71 3hfr h THR 74 N 0.53 1.32 -0.33 2.81 2.02 -1.96 -2.84 112.91 114.45 3hfr h THR 74 Ca 0.11 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 3hfr h THR 74 Cb 0.42 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3hfr h THR 74 CO 0.02 0.53 0.07 0.00 0.37 0.00 0.00 175.52 176.51 3hfr h ALA 75 N 1.04 0.43 -0.43 6.16 0.00 -1.74 -2.74 119.26 121.99 3hfr h ALA 75 Ca 0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3hfr h ALA 75 Cb 1.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3hfr h ALA 75 CO 0.09 0.11 -0.06 0.00 0.00 0.00 0.00 179.25 179.39 3hfr h THR 76 N 0.37 1.24 -0.12 0.00 1.03 -1.18 -1.46 112.91 112.79 3hfr h THR 76 Ca 0.10 -1.06 -0.09 0.00 -0.01 0.00 0.00 66.41 65.35 3hfr h THR 76 Cb 0.31 0.99 -0.01 0.00 -1.07 0.00 0.00 68.15 68.37 3hfr h THR 76 CO 0.00 0.36 -0.34 0.00 -0.01 0.00 0.00 175.52 175.54 3hfr h ALA 77 N 1.26 1.20 0.00 0.00 0.00 -1.49 -2.94 119.26 117.29 3hfr h ALA 77 Ca 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3hfr h ALA 77 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hfr h ALA 77 CO 0.03 0.53 -1.19 0.00 0.00 0.00 0.00 179.25 178.62 3hfr n ALA 78 N -2.48 2.45 -1.99 0.00 0.00 -0.89 -4.74 120.51 112.86 3hfr n ALA 78 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3hfr n ALA 78 Cb 0.43 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3hfr n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfr n ALA 79 N -2.23 1.54 -0.07 0.00 0.00 -0.60 -4.71 120.51 114.44 3hfr n ALA 79 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 3hfr n ALA 79 Cb 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 3hfr n ALA 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hfr h LEU 80 N 0.00 0.32 -0.51 0.00 5.85 -1.65 -2.29 115.31 117.03 3hfr h LEU 80 Ca 0.00 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 3hfr h LEU 80 Cb 1.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hfr h LEU 80 CO 0.00 0.36 0.06 0.22 -0.34 0.00 0.00 178.44 178.74 3hfr h TYR 81 N 0.26 0.91 -0.69 1.25 3.20 -1.94 -2.18 116.97 117.77 3hfr h TYR 81 Ca 0.08 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3hfr h TYR 81 Cb 0.13 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3hfr h TYR 81 CO -0.02 0.84 0.20 0.22 -1.64 0.00 0.00 178.16 177.76 3hfr h ASP 82 N 0.73 1.03 -0.36 -2.11 3.58 -1.94 -2.70 116.42 114.64 3hfr h ASP 82 Ca 0.15 -0.22 -0.13 0.00 0.42 0.00 0.00 57.03 57.25 3hfr h ASP 82 Cb 0.43 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 3hfr h ASP 82 CO 0.01 0.97 -0.28 0.40 -2.88 0.00 0.00 179.24 177.47 3hfr h ILE 83 N 1.03 1.27 -0.39 2.25 2.04 -1.21 -2.62 117.51 119.88 3hfr h ILE 83 Ca 0.22 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3hfr h ILE 83 Cb 0.33 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3hfr h ILE 83 CO -0.00 0.48 0.25 0.03 0.00 0.00 0.00 178.15 178.91 3hfr h ARG 84 N 0.75 0.53 -0.39 2.37 3.08 -1.30 -1.61 114.38 117.81 3hfr h ARG 84 Ca 0.09 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3hfr h ARG 84 Cb 0.84 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3hfr h ARG 84 CO 0.07 0.37 0.25 1.49 -1.07 0.00 0.00 179.97 181.09 3hfr h GLU 85 N 0.53 0.50 0.02 0.04 4.81 -1.40 -3.25 114.58 115.84 3hfr h GLU 85 Ca 0.14 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 3hfr h GLU 85 Cb -0.03 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.25 3hfr h GLU 85 CO -0.03 0.33 -0.73 0.87 -0.73 0.00 0.00 179.01 178.72 3hfr h LYS 86 N 0.51 0.45 -7.42 1.92 6.56 -1.39 -3.45 116.57 113.76 3hfr h LYS 86 Ca 0.14 -0.52 -0.49 0.00 -1.06 0.00 0.00 60.65 58.72 3hfr h LYS 86 Cb -0.05 0.16 0.10 0.00 -0.57 0.00 0.00 32.23 31.87 3hfr h LYS 86 CO -0.04 1.17 0.35 -0.51 -2.06 0.00 0.00 179.45 178.37 3hfr s LEU 87 N -8.22 2.68 -0.20 2.94 1.43 -0.62 -4.99 118.68 111.71 3hfr s LEU 87 Ca -0.13 1.29 0.15 0.00 -1.03 0.00 0.00 54.13 54.42 3hfr s LEU 87 Cb 0.04 -3.96 0.45 0.00 0.03 0.00 0.00 46.19 42.75 3hfr s LEU 87 CO 0.84 -1.83 1.35 0.47 0.23 0.00 0.00 176.35 177.41 3hfr n ASP 88 N -3.34 2.92 -4.42 2.29 8.00 -1.26 -4.87 116.55 115.87 3hfr n ASP 88 Ca 0.07 -3.32 -0.23 0.00 0.71 0.00 0.00 54.79 52.02 3hfr n ASP 88 Cb 0.56 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 3hfr n ASP 88 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hfr s ILE 89 N -2.99 2.22 0.26 0.53 -4.36 -1.26 -5.12 121.20 110.48 3hfr s ILE 89 Ca 0.40 -2.25 -0.30 0.00 -0.26 0.00 0.00 60.65 58.24 3hfr s ILE 89 Cb 0.35 -2.16 -0.10 0.00 1.25 0.00 0.00 42.46 41.80 3hfr s ILE 89 CO 0.03 -0.39 1.40 -2.84 0.24 0.00 0.00 174.94 173.39 3hfr s PRO 90 N -3.32 4.29 -0.05 0.37 0.02 -1.26 -4.89 135.00 130.16 3hfr s PRO 90 Ca 0.25 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.56 3hfr s PRO 90 Cb -0.05 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.38 3hfr s PRO 90 CO 0.11 -0.36 -0.12 0.08 -0.33 0.00 0.00 177.00 176.39 3hfr s VAL 91 N -0.26 1.06 0.15 3.83 1.01 -1.26 -1.21 120.40 123.73 3hfr s VAL 91 Ca 0.57 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 3hfr s VAL 91 Cb -0.41 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3hfr s VAL 91 CO 0.45 0.33 0.07 0.27 0.00 0.00 0.00 175.10 176.22 3hfr s ILE 92 N 0.44 0.17 0.23 2.22 -4.36 -0.47 -4.96 121.20 114.48 3hfr s ILE 92 Ca -0.09 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 3hfr s ILE 92 Cb -0.13 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.42 3hfr s ILE 92 CO 0.02 -0.35 0.10 0.61 0.24 0.00 0.00 174.94 175.56 3hfr n GLY 93 N -0.16 3.37 0.21 6.27 0.00 -1.26 -0.57 105.19 113.04 3hfr n GLY 93 Ca -0.04 -2.25 0.11 0.00 0.00 0.00 0.00 46.02 43.84 3hfr n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hfr n VAL 94 N -0.84 0.00 0.04 1.61 0.24 -1.25 -4.49 118.33 113.65 3hfr n VAL 94 Ca -0.05 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 3hfr n VAL 94 Cb 0.28 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.57 3hfr n VAL 94 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3hfr h ILE 95 N 1.04 0.95 -0.37 1.34 1.08 -1.95 -1.70 117.51 117.90 3hfr h ILE 95 Ca 0.00 -1.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 3hfr h ILE 95 Cb 0.60 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 3hfr h ILE 95 CO 0.00 0.24 0.23 1.56 -0.69 0.00 0.00 178.15 179.50 3hfr h GLN 96 N -0.81 0.50 -0.55 2.37 1.08 -1.94 -1.40 115.11 114.36 3hfr h GLN 96 Ca -0.02 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3hfr h GLN 96 Cb 0.54 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 3hfr h GLN 96 CO 0.03 0.36 0.34 -1.35 -0.95 0.00 0.00 178.83 177.26 3hfr h PRO 97 N 0.49 0.66 -0.80 1.46 0.11 -1.79 0.12 132.00 132.26 3hfr h PRO 97 Ca 0.14 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.28 3hfr h PRO 97 Cb -0.02 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 30.88 3hfr h PRO 97 CO -0.03 0.44 0.47 0.78 -0.21 0.00 0.00 178.00 179.45 3hfr h GLY 98 N 0.68 1.20 0.87 -0.55 0.00 -1.07 0.21 103.07 104.41 3hfr h GLY 98 Ca 0.21 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3hfr h GLY 98 CO -0.08 0.19 -0.02 1.76 0.00 0.00 0.00 176.54 178.39 3hfr h SER 99 N 0.83 0.50 -0.51 0.19 0.02 -0.70 -0.68 113.55 113.20 3hfr h SER 99 Ca 0.36 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 3hfr h SER 99 Cb 0.24 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 3hfr h SER 99 CO -0.20 0.71 0.24 -0.09 -1.14 0.00 0.00 176.83 176.35 3hfr h ARG 100 N 0.29 0.45 -0.51 3.45 2.43 -0.42 -1.82 114.38 118.25 3hfr h ARG 100 Ca 0.08 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3hfr h ARG 100 Cb 0.46 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3hfr h ARG 100 CO 0.02 0.30 0.08 0.00 -1.51 0.00 0.00 179.97 178.86 3hfr h ALA 101 N 1.30 1.20 -0.51 2.80 0.00 -0.63 -2.69 119.26 120.72 3hfr h ALA 101 Ca 0.23 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3hfr h ALA 101 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hfr h ALA 101 CO -0.18 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.53 3hfr h ALA 102 N 1.33 0.91 -0.14 0.00 0.00 -0.55 -2.61 119.26 118.20 3hfr h ALA 102 Ca 0.16 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3hfr h ALA 102 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hfr h ALA 102 CO 0.01 0.63 -0.33 -0.07 0.00 0.00 0.00 179.25 179.49 3hfr h LEU 103 N 0.82 0.29 -0.76 0.00 3.38 -1.12 -0.14 115.31 117.78 3hfr h LEU 103 Ca 0.14 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hfr h LEU 103 Cb 0.59 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3hfr h LEU 103 CO 0.04 0.61 -0.09 0.11 0.09 0.00 0.00 178.44 179.19 3hfr h LYS 104 N 0.25 0.85 0.05 1.13 1.57 -1.37 -3.34 116.57 115.71 3hfr h LYS 104 Ca 0.03 -0.28 -0.28 0.00 -1.87 0.00 0.00 60.65 58.25 3hfr h LYS 104 Cb 0.70 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 3hfr h LYS 104 CO 0.05 0.91 -1.49 0.00 -0.57 0.00 0.00 179.45 178.35 3hfr h ALA 105 N 1.13 0.48 -2.81 3.86 0.00 -1.06 -3.47 119.26 117.39 3hfr h ALA 105 Ca 0.13 -1.20 -0.51 0.00 0.00 0.00 0.00 54.91 53.32 3hfr h ALA 105 Cb 0.59 0.27 0.05 0.00 0.00 0.00 0.00 17.79 18.71 3hfr h ALA 105 CO 0.04 1.33 0.55 -0.08 0.00 0.00 0.00 179.25 181.09 3hfr s THR 106 N -2.63 3.02 -0.12 0.00 -1.32 -0.11 -4.92 115.64 109.57 3hfr s THR 106 Ca -0.06 0.95 0.08 0.00 -1.21 0.00 0.00 61.69 61.45 3hfr s THR 106 Cb 0.08 -3.58 -0.13 0.00 -1.51 0.00 0.00 72.50 67.37 3hfr s THR 106 CO 0.83 0.17 -0.00 0.54 -2.21 0.00 0.00 174.62 173.95 3hfr n ARG 107 N 0.55 1.75 -0.23 7.08 5.12 -1.26 -4.67 116.66 125.00 3hfr n ARG 107 Ca 0.02 0.02 0.09 0.00 -1.93 0.00 0.00 57.85 56.04 3hfr n ARG 107 Cb 0.44 -1.28 0.21 0.00 -1.16 0.00 0.00 32.46 30.67 3hfr n ARG 107 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3hfr n ASN 108 N -2.53 3.28 -2.35 0.55 0.23 -1.26 -4.99 115.26 108.20 3hfr n ASN 108 Ca -0.20 -1.96 -0.20 0.00 -0.53 0.00 0.00 54.58 51.69 3hfr n ASN 108 Cb 0.84 -0.30 -0.02 0.00 -2.08 0.00 0.00 39.78 38.22 3hfr n ASN 108 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3hfr n ASN 109 N 1.05 -5.80 -4.15 0.53 3.02 -1.26 -4.93 115.26 103.72 3hfr n ASN 109 Ca 0.17 0.03 -0.34 0.00 -0.03 0.00 0.00 54.58 54.41 3hfr n ASN 109 Cb 0.51 -4.85 -0.15 0.00 -0.61 0.00 0.00 39.78 34.68 3hfr n ASN 109 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hfr s LYS 110 N -4.96 2.73 0.01 3.52 1.02 -1.26 -0.41 119.74 120.40 3hfr s LYS 110 Ca 0.00 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 55.02 3hfr s LYS 110 Cb 0.00 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 3hfr s LYS 110 CO 0.00 -0.40 -0.21 0.42 -0.92 0.00 0.00 175.35 174.24 3hfr s ILE 111 N 1.26 1.66 0.04 2.17 1.01 0.03 -1.84 121.20 125.54 3hfr s ILE 111 Ca -0.01 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.62 3hfr s ILE 111 Cb -0.17 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3hfr s ILE 111 CO -0.06 0.33 -0.02 -0.83 0.00 0.00 0.00 174.94 174.36 3hfr s GLY 112 N -0.84 1.86 -0.15 6.18 0.00 0.15 -0.84 107.32 113.67 3hfr s GLY 112 Ca 0.08 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3hfr s GLY 112 CO 0.01 -0.96 -0.19 0.14 0.00 0.00 0.00 173.10 172.10 3hfr s VAL 113 N -1.15 1.89 -0.11 1.40 1.01 0.87 -1.12 120.40 123.19 3hfr s VAL 113 Ca 0.21 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 3hfr s VAL 113 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3hfr s VAL 113 CO 0.13 0.52 0.11 -0.76 0.00 0.00 0.00 175.10 175.09 3hfr s LEU 114 N 1.13 4.19 0.00 3.92 1.43 -0.54 -0.93 118.68 127.87 3hfr s LEU 114 Ca -0.01 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.41 3hfr s LEU 114 Cb -0.14 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.09 3hfr s LEU 114 CO -0.07 0.40 0.32 0.61 0.23 0.00 0.00 176.35 177.83 3hfr n GLY 115 N 2.01 0.69 3.77 -3.19 0.00 -1.11 0.42 105.19 107.78 3hfr n GLY 115 Ca -0.20 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 3hfr n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfr s THR 116 N -2.20 3.30 0.26 2.61 -4.23 -1.26 -0.54 115.64 113.57 3hfr s THR 116 Ca 0.07 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 3hfr s THR 116 Cb -0.00 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 71.15 3hfr s THR 116 CO 0.00 -0.53 1.75 0.25 -0.54 0.00 0.00 174.62 175.56 3hfr h LEU 117 N -1.01 0.47 -0.28 4.79 5.85 -1.93 -2.18 115.31 121.02 3hfr h LEU 117 Ca -0.44 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3hfr h LEU 117 Cb 1.23 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3hfr h LEU 117 CO 0.51 0.19 0.12 1.23 -0.34 0.00 0.00 178.44 180.16 3hfr h GLY 118 N 0.58 0.44 0.96 3.75 0.00 -1.92 -1.51 103.07 105.36 3hfr h GLY 118 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3hfr h GLY 118 CO -0.37 0.22 -0.01 -0.84 0.00 0.00 0.00 176.54 175.53 3hfr h THR 119 N 0.30 0.96 -0.10 4.70 2.02 -1.84 -1.87 112.91 117.08 3hfr h THR 119 Ca 0.09 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.16 3hfr h THR 119 Cb 0.16 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3hfr h THR 119 CO -0.01 0.00 -0.45 -0.37 0.37 0.00 0.00 175.52 175.06 3hfr h VAL 120 N -0.02 1.33 -0.11 3.16 -1.51 -1.36 -2.16 116.25 115.56 3hfr h VAL 120 Ca 0.01 -1.62 -0.08 0.00 -1.23 0.00 0.00 66.70 63.78 3hfr h VAL 120 Cb 0.03 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 3hfr h VAL 120 CO -0.02 0.48 -0.29 -0.33 -1.23 0.00 0.00 177.57 176.19 3hfr h GLU 121 N 0.20 0.21 0.00 5.19 5.08 -1.22 -3.45 114.58 120.59 3hfr h GLU 121 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hfr h GLU 121 Cb 0.88 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3hfr h GLU 121 CO 0.07 0.49 0.00 -1.13 -1.00 0.00 0.00 179.01 177.44 3hfr n SER 122 N -4.14 0.00 0.00 1.42 3.41 -0.71 -5.10 113.62 108.51 3hfr n SER 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3hfr n SER 122 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3hfr n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfr n ALA 124 N -3.00 0.00 0.14 7.33 0.00 -1.26 -4.99 120.51 118.73 3hfr n ALA 124 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hfr n ALA 124 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3hfr n ALA 124 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3hfr h TYR 125 N 0.00 -0.37 -0.92 0.00 0.05 -1.94 -1.57 116.97 112.21 3hfr h TYR 125 Ca 0.00 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.91 3hfr h TYR 125 Cb 0.00 0.12 -0.09 0.00 1.01 0.00 0.00 36.73 37.77 3hfr h TYR 125 CO 0.00 -0.02 0.54 -1.35 -1.05 0.00 0.00 178.16 176.28 3hfr h PRO 126 N -0.90 0.77 -0.10 4.88 0.11 -1.97 0.36 132.00 135.15 3hfr h PRO 126 Ca -0.04 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.05 3hfr h PRO 126 Cb 0.51 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3hfr h PRO 126 CO 0.07 0.51 -0.05 0.00 -0.21 0.00 0.00 178.00 178.31 3hfr h THR 127 N 0.80 0.83 -0.40 -1.15 1.03 -1.93 -0.37 112.91 111.71 3hfr h THR 127 Ca 0.49 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.82 3hfr h THR 127 Cb 0.60 0.83 -0.01 0.00 -1.07 0.00 0.00 68.15 68.50 3hfr h THR 127 CO -0.32 0.00 -0.01 0.00 -0.01 0.00 0.00 175.52 175.18 3hfr h ALA 128 N 1.04 0.54 -0.11 0.00 0.00 -0.51 -1.65 119.26 118.56 3hfr h ALA 128 Ca 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hfr h ALA 128 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hfr h ALA 128 CO -0.13 0.33 0.07 -0.07 0.00 0.00 0.00 179.25 179.44 3hfr h LEU 129 N 0.53 0.13 -0.87 0.00 3.38 -0.05 -2.65 115.31 115.79 3hfr h LEU 129 Ca 0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3hfr h LEU 129 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hfr h LEU 129 CO 0.02 0.13 -0.17 0.11 0.09 0.00 0.00 178.44 178.63 3hfr h LYS 130 N 0.11 0.00 0.00 1.13 1.57 -1.07 -0.79 116.57 117.52 3hfr h LYS 130 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3hfr h LYS 130 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3hfr h LYS 130 CO -0.01 0.17 -0.03 0.78 -0.57 0.00 0.00 179.45 179.79 3hfr h GLY 131 N 2.57 0.00 0.43 3.86 0.00 -0.94 -3.19 103.07 105.81 3hfr h GLY 131 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 3hfr h GLY 131 CO 0.02 0.00 -2.13 1.04 0.00 0.00 0.00 176.54 175.47 3hfr n LEU 132 N -4.34 2.28 -3.40 3.11 4.77 -0.84 -4.91 117.00 113.67 3hfr n LEU 132 Ca -0.03 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3hfr n LEU 132 Cb 0.11 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 3hfr n LEU 132 CO 0.33 0.79 -0.10 0.21 -1.33 0.00 0.00 177.39 177.29 3hfr s ASN 133 N -6.63 0.59 0.24 -1.43 3.84 -0.36 -5.04 114.94 106.15 3hfr s ASN 133 Ca -0.23 0.10 0.26 0.00 0.21 0.00 0.00 52.86 53.20 3hfr s ASN 133 Cb 0.07 0.88 0.72 0.00 -0.55 0.00 0.00 41.25 42.38 3hfr s ASN 133 CO 0.73 -0.31 1.73 0.03 -2.79 0.00 0.00 177.10 176.50 3hfr h ARG 134 N 8.23 0.00 -0.00 0.43 3.08 -1.82 -3.12 114.38 121.17 3hfr h ARG 134 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3hfr h ARG 134 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3hfr h ARG 134 CO 0.27 0.00 -0.28 0.54 -1.07 0.00 0.00 179.97 179.43 3hfr n ARG 135 N -2.39 0.49 -2.34 0.04 1.74 -1.26 -4.93 116.66 108.01 3hfr n ARG 135 Ca 0.05 -0.25 -0.41 0.00 -0.77 0.00 0.00 57.85 56.47 3hfr n ARG 135 Cb 0.45 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3hfr n ARG 135 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hfr s VAL 136 N -2.68 3.34 -0.10 1.55 0.11 -1.18 -5.01 120.40 116.43 3hfr s VAL 136 Ca 0.20 1.23 -0.12 0.00 -2.93 0.00 0.00 61.98 60.37 3hfr s VAL 136 Cb 0.19 -3.79 -0.05 0.00 -1.53 0.00 0.00 36.38 31.20 3hfr s VAL 136 CO 0.57 0.25 0.28 -1.61 -3.33 0.00 0.00 175.10 171.25 3hfr s GLU 137 N -0.92 3.93 -0.06 1.54 2.02 0.46 -4.96 118.70 120.71 3hfr s GLU 137 Ca 0.50 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.60 3hfr s GLU 137 Cb -0.34 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.61 3hfr s GLU 137 CO 0.41 0.52 -0.05 0.08 0.02 0.00 0.00 175.26 176.25 3hfr s VAL 138 N -0.40 0.63 -0.12 2.63 1.01 -1.26 -0.79 120.40 122.10 3hfr s VAL 138 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3hfr s VAL 138 Cb -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3hfr s VAL 138 CO 0.06 0.26 -0.12 -1.81 0.00 0.00 0.00 175.10 173.50 3hfr s ASP 139 N 1.23 4.14 -0.08 3.32 1.01 -0.02 -4.99 116.67 121.27 3hfr s ASP 139 Ca -0.06 -0.27 0.02 0.00 0.71 0.00 0.00 52.55 52.96 3hfr s ASP 139 Cb -0.14 -1.48 -0.02 0.00 1.01 0.00 0.00 42.92 42.29 3hfr s ASP 139 CO -0.02 0.21 -0.15 -0.44 0.21 0.00 0.00 175.17 174.98 3hfr s SER 140 N 0.11 3.90 -0.11 0.27 0.01 -1.26 -0.09 113.70 116.53 3hfr s SER 140 Ca -0.05 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.89 3hfr s SER 140 Cb -0.15 -1.17 0.04 0.00 0.21 0.00 0.00 66.02 64.96 3hfr s SER 140 CO 0.04 0.26 0.04 -0.22 0.41 0.00 0.00 173.24 173.77 3hfr s LEU 141 N -0.21 0.54 0.34 2.44 2.96 -0.11 -4.95 118.68 119.70 3hfr s LEU 141 Ca 0.00 -0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.34 3hfr s LEU 141 Cb -0.13 -0.35 -0.10 0.00 0.50 0.00 0.00 46.19 46.10 3hfr s LEU 141 CO 0.03 -0.26 1.30 0.00 -1.32 0.00 0.00 176.35 176.10 3hfr s ALA 142 N 2.04 3.46 -0.51 5.97 0.00 -1.26 -2.74 121.76 128.72 3hfr s ALA 142 Ca 0.03 1.25 0.07 0.00 0.00 0.00 0.00 51.96 53.31 3hfr s ALA 142 Cb -0.14 -3.48 0.25 0.00 0.00 0.00 0.00 23.12 19.75 3hfr s ALA 142 CO -0.06 -0.66 0.62 0.00 0.00 0.00 0.00 175.76 175.65 3hfr h PRO 144 N 4.14 0.43 0.00 0.00 0.11 -1.95 -2.46 132.00 132.27 3hfr h PRO 144 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3hfr h PRO 144 Cb 0.78 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3hfr h PRO 144 CO 0.63 0.28 0.00 1.63 -0.21 0.00 0.00 178.00 180.33 3hfr n LYS 145 N -4.54 0.26 -0.16 1.05 5.02 -1.26 -4.18 118.16 114.36 3hfr n LYS 145 Ca 0.20 0.22 -0.10 0.00 -2.02 0.00 0.00 58.31 56.61 3hfr n LYS 145 Cb 0.71 -1.81 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 3hfr n LYS 145 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3hfr h PHE 146 N 0.00 0.89 -0.76 2.13 -1.00 -1.86 -2.51 116.94 113.83 3hfr h PHE 146 Ca 0.00 -0.16 0.06 0.00 2.81 0.00 0.00 57.97 60.68 3hfr h PHE 146 Cb 0.73 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 40.00 3hfr h PHE 146 CO 0.00 0.87 0.45 0.28 -1.61 0.00 0.00 178.31 178.30 3hfr h VAL 147 N 0.65 0.99 -0.26 -0.55 2.07 -1.78 -1.50 116.25 115.87 3hfr h VAL 147 Ca 0.12 -0.28 -0.16 0.00 0.82 0.00 0.00 66.70 67.20 3hfr h VAL 147 Cb 0.54 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3hfr h VAL 147 CO 0.03 0.15 -0.49 0.28 0.02 0.00 0.00 177.57 177.56 3hfr h SER 148 N 0.81 0.76 -0.80 0.57 0.02 -1.80 -0.95 113.55 112.17 3hfr h SER 148 Ca 0.34 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3hfr h SER 148 Cb 0.20 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3hfr h SER 148 CO -0.19 1.12 0.53 0.58 -1.14 0.00 0.00 176.83 177.74 3hfr h VAL 149 N 0.55 1.19 0.12 2.27 2.07 -1.00 -1.23 116.25 120.23 3hfr h VAL 149 Ca 0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3hfr h VAL 149 Cb 1.05 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3hfr h VAL 149 CO 0.10 0.19 -0.06 0.58 0.02 0.00 0.00 177.57 178.41 3hfr h VAL 150 N 1.06 0.96 -0.65 2.57 2.07 -1.17 -0.78 116.25 120.31 3hfr h VAL 150 Ca 0.30 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 3hfr h VAL 150 Cb -0.09 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3hfr h VAL 150 CO -0.07 0.26 0.19 -0.33 0.02 0.00 0.00 177.57 177.64 3hfr h GLU 151 N -0.85 1.00 0.00 1.57 5.08 -1.09 -1.88 114.58 118.41 3hfr h GLU 151 Ca -0.02 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3hfr h GLU 151 Cb 0.55 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3hfr h GLU 151 CO 0.03 0.87 0.00 0.66 -1.00 0.00 0.00 179.01 179.56 3hfr h SER 152 N 0.96 0.00 0.00 1.42 4.64 -1.37 -3.47 113.55 115.74 3hfr h SER 152 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3hfr h SER 152 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hfr h SER 152 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3hfr n GLY 153 N 0.15 0.78 0.22 -0.77 0.00 -0.71 -4.95 105.19 99.92 3hfr n GLY 153 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 3hfr n GLY 153 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hfr h GLU 154 N 3.59 0.00 -0.42 1.61 5.08 -1.43 -2.72 114.58 120.30 3hfr h GLU 154 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3hfr h GLU 154 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3hfr h GLU 154 CO 0.00 0.00 0.36 0.10 -1.00 0.00 0.00 179.01 178.47 3hfr h TYR 155 N 0.00 0.00 0.00 4.33 -0.00 -1.62 -2.35 116.97 117.33 3hfr h TYR 155 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3hfr h TYR 155 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.97 3hfr h TYR 155 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 3hfr n LYS 156 N -4.05 0.51 -4.24 0.10 5.02 -1.03 -4.86 118.16 109.61 3hfr n LYS 156 Ca 0.07 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.20 3hfr n LYS 156 Cb 0.55 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 3hfr n LYS 156 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3hfr s SER 157 N -1.98 0.93 0.36 4.39 0.01 -0.88 -5.06 113.70 111.47 3hfr s SER 157 Ca 0.23 -1.58 0.10 0.00 1.31 0.00 0.00 55.95 56.02 3hfr s SER 157 Cb 0.11 0.47 0.70 0.00 0.21 0.00 0.00 66.02 67.51 3hfr s SER 157 CO 0.18 -0.95 1.84 0.00 0.41 0.00 0.00 173.24 174.71 3hfr h ALA 158 N 2.37 1.38 -0.58 1.44 0.00 -1.91 -2.35 119.26 119.62 3hfr h ALA 158 Ca -0.30 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.45 3hfr h ALA 158 Cb 1.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3hfr h ALA 158 CO 0.44 0.44 0.41 -0.84 0.00 0.00 0.00 179.25 179.70 3hfr h ILE 159 N 0.11 0.76 0.00 0.00 3.07 -1.97 -1.09 117.51 118.40 3hfr h ILE 159 Ca 0.02 -0.04 -0.08 0.00 1.55 0.00 0.00 64.86 66.30 3hfr h ILE 159 Cb 0.59 0.63 -0.01 0.00 -0.27 0.00 0.00 36.82 37.75 3hfr h ILE 159 CO 0.04 0.02 -0.39 0.00 -1.05 0.00 0.00 178.15 176.77 3hfr h ALA 160 N 1.71 1.00 -0.48 0.16 0.00 -1.52 -3.14 119.26 117.00 3hfr h ALA 160 Ca 0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hfr h ALA 160 Cb 0.93 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hfr h ALA 160 CO -0.03 0.49 0.24 0.87 0.00 0.00 0.00 179.25 180.81 3hfr h LYS 161 N 0.00 0.68 -0.34 0.00 1.57 -1.28 -2.27 116.57 114.94 3hfr h LYS 161 Ca -0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3hfr h LYS 161 Cb 0.91 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3hfr h LYS 161 CO 0.05 0.57 0.04 -0.22 -0.57 0.00 0.00 179.45 179.32 3hfr h LYS 162 N 0.63 0.57 -0.95 3.15 3.64 -1.56 -2.15 116.57 119.89 3hfr h LYS 162 Ca 0.17 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3hfr h LYS 162 Cb 0.10 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3hfr h LYS 162 CO -0.02 0.66 0.63 0.28 -2.27 0.00 0.00 179.45 178.72 3hfr h VAL 163 N 0.39 1.24 -0.30 2.00 2.07 -1.50 -1.14 116.25 119.01 3hfr h VAL 163 Ca 0.10 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3hfr h VAL 163 Cb 0.37 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3hfr h VAL 163 CO 0.01 0.24 -0.10 0.58 0.02 0.00 0.00 177.57 178.32 3hfr h VAL 164 N 1.29 1.29 -0.85 2.57 2.07 -1.35 -1.78 116.25 119.49 3hfr h VAL 164 Ca 0.35 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3hfr h VAL 164 Cb -0.15 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3hfr h VAL 164 CO -0.08 0.37 0.45 0.00 0.02 0.00 0.00 177.57 178.33 3hfr h ALA 165 N 0.78 1.19 0.06 1.67 0.00 -1.14 -1.01 119.26 120.81 3hfr h ALA 165 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hfr h ALA 165 Cb 0.60 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hfr h ALA 165 CO 0.03 0.64 -0.03 1.49 0.00 0.00 0.00 179.25 181.39 3hfr h GLU 166 N 1.20 -0.08 -0.37 0.00 4.81 -1.17 -2.97 114.58 116.00 3hfr h GLU 166 Ca 0.30 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 3hfr h GLU 166 Cb 0.06 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3hfr h GLU 166 CO -0.04 0.26 -0.11 0.77 -0.73 0.00 0.00 179.01 179.15 3hfr h SER 167 N -0.41 0.73 -0.36 1.04 0.02 -1.21 -3.22 113.55 110.15 3hfr h SER 167 Ca -0.01 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3hfr h SER 167 Cb 0.37 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3hfr h SER 167 CO 0.01 0.94 0.00 0.18 -1.14 0.00 0.00 176.83 176.82 3hfr n LEU 168 N -4.36 2.21 -0.25 5.07 4.77 -0.39 -4.51 117.00 119.54 3hfr n LEU 168 Ca -0.02 -1.05 -0.06 0.00 -0.03 0.00 0.00 56.01 54.85 3hfr n LEU 168 Cb 0.36 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3hfr n LEU 168 CO 0.42 0.52 1.10 0.25 -1.33 0.00 0.00 177.39 178.35 3hfr h LEU 169 N 2.56 0.85 -1.42 2.23 5.85 -1.53 -2.24 115.31 121.62 3hfr h LEU 169 Ca 0.00 -0.09 0.30 0.00 0.84 0.00 0.00 57.88 58.93 3hfr h LEU 169 Cb 0.58 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 3hfr h LEU 169 CO 0.00 0.70 0.71 -0.65 -0.34 0.00 0.00 178.44 178.86 3hfr h PRO 170 N 0.94 0.30 0.00 5.25 0.11 -1.85 -2.30 132.00 134.45 3hfr h PRO 170 Ca 0.24 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 3hfr h PRO 170 Cb 0.03 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 3hfr h PRO 170 CO -0.04 0.20 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.75 3hfr h LEU 171 N 0.31 0.00 -1.64 2.35 3.38 -1.74 -2.60 115.31 115.37 3hfr h LEU 171 Ca 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.58 3hfr h LEU 171 Cb 1.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 3hfr h LEU 171 CO -0.30 0.14 -0.11 0.11 0.09 0.00 0.00 178.44 178.37 3hfr h LYS 172 N 0.00 0.00 -0.00 1.13 1.79 -1.55 -1.78 116.57 116.16 3hfr h LYS 172 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hfr h LYS 172 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3hfr h LYS 172 CO 0.02 0.11 -0.06 -1.13 -1.08 0.00 0.00 179.45 177.31 3hfr n SER 173 N -3.35 0.24 -4.96 0.86 3.41 -0.98 -4.87 113.62 103.97 3hfr n SER 173 Ca -0.01 -0.40 -0.19 0.00 -0.26 0.00 0.00 58.87 58.02 3hfr n SER 173 Cb 0.30 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 3hfr n SER 173 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hfr s THR 174 N -2.50 3.13 -0.30 6.66 -4.23 -0.67 -5.03 115.64 112.71 3hfr s THR 174 Ca 0.29 -1.12 0.11 0.00 -1.18 0.00 0.00 61.69 59.80 3hfr s THR 174 Cb 0.20 -3.08 0.77 0.00 1.34 0.00 0.00 72.50 71.73 3hfr s THR 174 CO 0.47 -0.04 1.78 0.29 -0.54 0.00 0.00 174.62 176.58 3hfr n LYS 175 N -1.70 4.05 -1.66 3.99 4.01 -1.26 -5.01 118.16 120.58 3hfr n LYS 175 Ca 0.05 -3.12 -0.45 0.00 -0.51 0.00 0.00 58.31 54.28 3hfr n LYS 175 Cb 0.60 -2.22 -0.03 0.00 -0.51 0.00 0.00 35.03 32.87 3hfr n LYS 175 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3hfr n ILE 176 N 0.05 1.06 0.18 -0.18 2.08 -1.26 -4.83 119.36 116.46 3hfr n ILE 176 Ca 0.37 -0.27 0.02 0.00 0.56 0.00 0.00 62.75 63.43 3hfr n ILE 176 Cb 1.32 -1.42 0.02 0.00 -0.75 0.00 0.00 39.64 38.81 3hfr n ILE 176 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3hfr n ASP 177 N 2.00 1.39 -3.75 4.38 5.75 -0.77 -4.84 116.55 120.71 3hfr n ASP 177 Ca 0.11 -1.20 -0.13 0.00 -0.01 0.00 0.00 54.79 53.56 3hfr n ASP 177 Cb 0.31 -0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.27 3hfr n ASP 177 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hfr s THR 178 N -0.38 -0.03 -0.14 2.12 2.01 -1.22 -1.23 115.64 116.77 3hfr s THR 178 Ca 0.05 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.18 3hfr s THR 178 Cb 0.04 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.25 3hfr s THR 178 CO 0.05 0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.21 3hfr s VAL 179 N 0.96 1.51 -0.21 3.82 1.01 0.15 -0.68 120.40 126.97 3hfr s VAL 179 Ca -0.07 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 3hfr s VAL 179 Cb -0.08 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3hfr s VAL 179 CO -0.06 0.45 0.68 -0.63 0.00 0.00 0.00 175.10 175.54 3hfr s ILE 180 N 1.39 4.98 -0.93 2.22 1.01 -0.27 -0.42 121.20 129.18 3hfr s ILE 180 Ca 0.02 1.28 -0.24 0.00 0.00 0.00 0.00 60.65 61.71 3hfr s ILE 180 Cb -0.13 -3.99 0.04 0.00 0.01 0.00 0.00 42.46 38.39 3hfr s ILE 180 CO -0.08 0.07 1.42 -0.76 0.00 0.00 0.00 174.94 175.59 3hfr s LEU 181 N 2.13 3.39 -0.24 2.97 1.43 -0.67 -1.47 118.68 126.22 3hfr s LEU 181 Ca 0.30 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 3hfr s LEU 181 Cb -0.16 -2.57 0.44 0.00 0.03 0.00 0.00 46.19 43.93 3hfr s LEU 181 CO 0.10 -1.65 1.48 0.61 0.23 0.00 0.00 176.35 177.12 3hfr n GLY 182 N 6.45 3.22 2.81 -3.19 0.00 0.17 -4.49 105.19 110.16 3hfr n GLY 182 Ca 0.25 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3hfr n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfr h THR 184 N 6.13 0.00 0.00 0.00 1.35 -1.85 -0.69 112.91 117.85 3hfr h THR 184 Ca -0.43 -0.12 -0.13 0.00 -0.55 0.00 0.00 66.41 65.17 3hfr h THR 184 Cb 1.13 0.82 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 3hfr h THR 184 CO 0.47 0.00 -0.63 0.45 -0.25 0.00 0.00 175.52 175.56 3hfr h HIS 185 N 0.00 0.00 0.00 4.73 3.86 -1.93 -3.39 115.15 118.42 3hfr h HIS 185 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3hfr h HIS 185 Cb 0.16 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 3hfr h HIS 185 CO 0.00 0.63 -0.16 1.88 0.86 0.00 0.00 177.93 181.14 3hfr h TYR 186 N 0.00 0.00 -0.65 2.45 -1.99 -1.48 -3.04 116.97 112.26 3hfr h TYR 186 Ca -0.01 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.89 3hfr h TYR 186 Cb 1.13 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.83 3hfr h TYR 186 CO 0.00 0.16 0.45 -1.35 -0.00 0.00 0.00 178.16 177.43 3hfr h PRO 187 N 0.00 0.14 -0.04 4.88 0.11 -1.75 0.14 132.00 135.48 3hfr h PRO 187 Ca -0.00 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3hfr h PRO 187 Cb 0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3hfr h PRO 187 CO 0.02 0.09 0.06 -0.07 -0.21 0.00 0.00 178.00 177.89 3hfr h LEU 188 N 0.14 0.00 -1.78 2.35 -0.00 -1.86 -0.87 115.31 113.30 3hfr h LEU 188 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 3hfr h LEU 188 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 3hfr h LEU 188 CO -0.04 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.58 3hfr n LEU 189 N -3.52 2.67 -0.02 1.67 4.77 0.49 -4.68 117.00 118.37 3hfr n LEU 189 Ca -0.02 -1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 54.73 3hfr n LEU 189 Cb 0.15 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 3hfr n LEU 189 CO 0.24 0.57 0.92 0.50 -1.33 0.00 0.00 177.39 178.29 3hfr h LYS 190 N 3.50 0.17 -0.98 3.23 3.64 -1.08 -0.82 116.57 124.24 3hfr h LYS 190 Ca 0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3hfr h LYS 190 Cb 0.77 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 3hfr h LYS 190 CO 0.00 0.12 0.64 -1.35 -2.27 0.00 0.00 179.45 176.59 3hfr h PRO 191 N 0.18 1.23 -0.53 1.90 0.11 -1.83 0.26 132.00 133.32 3hfr h PRO 191 Ca 0.06 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3hfr h PRO 191 Cb 0.00 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.81 3hfr h PRO 191 CO -0.03 0.81 0.06 0.82 -0.21 0.00 0.00 178.00 179.45 3hfr h ILE 192 N 1.27 1.26 -0.19 4.15 2.04 -1.82 -2.00 117.51 122.21 3hfr h ILE 192 Ca 0.38 -1.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.13 3hfr h ILE 192 Cb -0.05 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3hfr h ILE 192 CO -0.11 0.36 -0.35 0.40 0.00 0.00 0.00 178.15 178.45 3hfr h ILE 193 N 0.78 1.29 -0.28 -0.67 2.04 -0.33 -2.13 117.51 118.20 3hfr h ILE 193 Ca 0.16 -1.43 -0.09 0.00 1.00 0.00 0.00 64.86 64.50 3hfr h ILE 193 Cb 0.44 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3hfr h ILE 193 CO 0.02 0.44 -0.18 -0.33 0.00 0.00 0.00 178.15 178.10 3hfr h GLU 194 N 0.34 0.61 -0.57 2.37 5.08 -0.33 -3.08 114.58 119.00 3hfr h GLU 194 Ca 0.04 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3hfr h GLU 194 Cb 0.78 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3hfr h GLU 194 CO 0.06 0.87 0.38 -0.91 -1.00 0.00 0.00 179.01 178.41 3hfr h ASN 195 N 0.35 0.65 0.00 1.42 2.35 -1.32 0.24 115.58 119.27 3hfr h ASN 195 Ca 0.06 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hfr h ASN 195 Cb 0.71 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3hfr h ASN 195 CO 0.05 0.47 0.00 0.33 -1.65 0.00 0.00 177.43 176.63 3hfr n PHE 196 N -4.69 0.00 -3.90 1.19 7.35 -0.81 -4.93 117.46 111.67 3hfr n PHE 196 Ca 0.04 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.72 3hfr n PHE 196 Cb 0.02 -0.01 0.01 0.00 0.35 0.00 0.00 39.48 39.86 3hfr n PHE 196 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3hfr s GLY 198 N -1.27 -0.00 0.54 7.13 0.00 0.83 -5.11 107.32 109.44 3hfr s GLY 198 Ca 0.00 -0.15 0.22 0.00 0.00 0.00 0.00 44.72 44.79 3hfr s GLY 198 CO 0.00 3.25 2.17 -0.55 0.00 0.00 0.00 173.10 177.97 3hfr h ASP 199 N 2.00 0.00 0.56 1.64 3.32 -1.92 -2.83 116.42 119.20 3hfr h ASP 199 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3hfr h ASP 199 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hfr h ASP 199 CO 0.34 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.49 3hfr n GLY 200 N -1.35 -1.07 3.25 2.75 0.00 -1.26 -4.71 105.19 102.80 3hfr n GLY 200 Ca -0.03 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3hfr n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hfr s VAL 201 N -2.94 2.68 -0.04 1.61 1.01 -1.07 -4.71 120.40 116.95 3hfr s VAL 201 Ca 0.10 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 3hfr s VAL 201 Cb 0.11 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3hfr s VAL 201 CO 0.31 0.51 0.85 0.00 0.00 0.00 0.00 175.10 176.77 3hfr s ALA 202 N 0.97 3.26 -0.18 5.51 0.00 -0.36 -4.84 121.76 126.12 3hfr s ALA 202 Ca -0.02 0.33 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 3hfr s ALA 202 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3hfr s ALA 202 CO -0.02 -0.21 0.00 0.08 0.00 0.00 0.00 175.76 175.61 3hfr s VAL 203 N 1.01 4.12 -0.34 0.00 1.01 -1.26 -0.67 120.40 124.27 3hfr s VAL 203 Ca 0.45 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3hfr s VAL 203 Cb -0.19 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3hfr s VAL 203 CO 0.23 0.45 0.18 -0.63 0.00 0.00 0.00 175.10 175.33 3hfr s ILE 204 N 0.66 4.66 -0.58 2.22 -1.09 0.44 -4.96 121.20 122.55 3hfr s ILE 204 Ca -0.00 -0.55 -0.25 0.00 -2.23 0.00 0.00 60.65 57.62 3hfr s ILE 204 Cb -0.14 -3.45 0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3hfr s ILE 204 CO 0.02 -0.04 1.01 0.21 -1.23 0.00 0.00 174.94 174.91 3hfr s ASN 205 N 1.60 6.33 0.11 3.58 3.84 -1.26 -1.67 114.94 127.47 3hfr s ASN 205 Ca 0.04 -0.33 0.18 0.00 0.21 0.00 0.00 52.86 52.96 3hfr s ASN 205 Cb -0.18 -2.46 0.75 0.00 -0.55 0.00 0.00 41.25 38.80 3hfr s ASN 205 CO 0.07 -1.33 1.54 -1.54 -2.79 0.00 0.00 177.10 173.05 3hfr n SER 206 N 7.78 0.27 -0.07 -4.21 3.41 -1.26 -2.04 113.62 117.49 3hfr n SER 206 Ca 0.03 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3hfr n SER 206 Cb 0.48 -0.62 0.30 0.00 -0.26 0.00 0.00 64.21 64.10 3hfr n SER 206 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hfr h GLY 207 N 2.25 0.74 0.90 5.00 0.00 -1.91 -2.21 103.07 107.83 3hfr h GLY 207 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hfr h GLY 207 CO 0.00 0.34 0.01 0.83 0.00 0.00 0.00 176.54 177.72 3hfr h GLU 208 N 0.68 0.02 -0.22 4.80 5.08 -1.75 -1.11 114.58 122.09 3hfr h GLU 208 Ca 0.17 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 3hfr h GLU 208 Cb 0.13 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3hfr h GLU 208 CO -0.02 0.12 -0.56 1.49 -1.00 0.00 0.00 179.01 179.04 3hfr h GLU 209 N -0.08 0.68 -0.60 2.33 4.57 -1.73 -2.33 114.58 117.42 3hfr h GLU 209 Ca 0.01 -0.43 0.04 0.00 -1.18 0.00 0.00 59.36 57.79 3hfr h GLU 209 Cb 0.11 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 3hfr h GLU 209 CO -0.00 1.05 0.35 1.15 -1.18 0.00 0.00 179.01 180.38 3hfr h THR 210 N 0.52 1.02 -0.48 0.32 2.02 -1.33 -1.16 112.91 113.81 3hfr h THR 210 Ca 0.01 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 3hfr h THR 210 Cb 1.13 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3hfr h THR 210 CO 0.11 0.12 -0.02 0.00 0.37 0.00 0.00 175.52 176.11 3hfr h ALA 211 N 1.29 1.07 -0.33 6.16 0.00 -1.01 -1.23 119.26 125.21 3hfr h ALA 211 Ca 0.25 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3hfr h ALA 211 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hfr h ALA 211 CO -0.14 0.58 -0.06 0.77 0.00 0.00 0.00 179.25 180.40 3hfr h SER 212 N 0.75 0.51 0.12 0.00 0.02 -0.82 -1.15 113.55 112.99 3hfr h SER 212 Ca 0.14 -0.12 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 3hfr h SER 212 Cb 0.48 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3hfr h SER 212 CO 0.02 0.63 -0.82 -0.08 -1.14 0.00 0.00 176.83 175.44 3hfr h GLU 213 N 0.50 0.55 -0.59 3.45 4.81 -0.63 -0.41 114.58 122.27 3hfr h GLU 213 Ca 0.10 -0.49 0.06 0.00 -0.13 0.00 0.00 59.36 58.90 3hfr h GLU 213 Cb 0.42 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 3hfr h GLU 213 CO 0.02 1.12 0.29 0.28 -0.73 0.00 0.00 179.01 179.99 3hfr h VAL 214 N 0.36 0.91 -0.50 0.32 2.07 -1.01 0.22 116.25 118.62 3hfr h VAL 214 Ca -0.06 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3hfr h VAL 214 Cb 1.43 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3hfr h VAL 214 CO 0.15 0.10 0.14 -1.28 0.02 0.00 0.00 177.57 176.70 3hfr h SER 215 N 0.54 0.75 -0.44 0.57 0.87 -0.96 -1.33 113.55 113.54 3hfr h SER 215 Ca 0.27 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 3hfr h SER 215 Cb 0.22 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3hfr h SER 215 CO -0.20 0.77 0.02 0.00 -0.53 0.00 0.00 176.83 176.89 3hfr h ALA 216 N 1.00 0.59 -0.31 6.23 0.00 -0.64 -1.78 119.26 124.36 3hfr h ALA 216 Ca 0.16 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3hfr h ALA 216 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hfr h ALA 216 CO -0.00 0.36 -0.23 -0.07 0.00 0.00 0.00 179.25 179.31 3hfr h LEU 217 N 0.61 0.73 -0.57 0.00 3.38 -0.41 -0.62 115.31 118.43 3hfr h LEU 217 Ca 0.13 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.70 3hfr h LEU 217 Cb 0.46 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3hfr h LEU 217 CO 0.02 1.02 0.31 -0.07 0.09 0.00 0.00 178.44 179.80 3hfr h LEU 218 N 0.45 0.45 -0.69 1.67 3.38 -1.25 -2.49 115.31 116.83 3hfr h LEU 218 Ca 0.06 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3hfr h LEU 218 Cb 0.78 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3hfr h LEU 218 CO 0.06 0.31 0.22 -0.78 0.09 0.00 0.00 178.44 178.34 3hfr h ASP 219 N 0.59 1.01 -0.94 -0.43 3.58 -1.02 -0.14 116.42 119.06 3hfr h ASP 219 Ca 0.25 -0.21 0.13 0.00 0.42 0.00 0.00 57.03 57.62 3hfr h ASP 219 Cb 0.14 -0.26 -0.08 0.00 1.72 0.00 0.00 39.33 40.84 3hfr h ASP 219 CO -0.16 0.95 0.60 0.22 -2.88 0.00 0.00 179.24 177.97 3hfr h TYR 220 N 1.02 0.99 -0.32 0.28 3.20 -0.68 -1.83 116.97 119.62 3hfr h TYR 220 Ca 0.22 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hfr h TYR 220 Cb 0.30 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3hfr h TYR 220 CO 0.02 0.38 0.00 0.72 -1.64 0.00 0.00 178.16 177.65 3hfr n HIS 221 N -4.59 0.42 -3.70 -3.82 8.25 -0.98 -4.95 115.22 105.86 3hfr n HIS 221 Ca 0.18 -0.21 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 3hfr n HIS 221 Cb 0.40 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.57 3hfr n HIS 221 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hfr n ASN 222 N 0.98 -5.47 -0.74 0.41 5.15 -0.69 -4.92 115.26 109.99 3hfr n ASN 222 Ca 0.18 -0.63 0.03 0.00 -0.60 0.00 0.00 54.58 53.56 3hfr n ASN 222 Cb 0.48 -4.64 0.20 0.00 -0.53 0.00 0.00 39.78 35.29 3hfr n ASN 222 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3hfr n LEU 223 N -4.84 3.24 -4.66 1.20 4.77 -0.13 -4.98 117.00 111.59 3hfr n LEU 223 Ca -0.01 -3.67 -0.39 0.00 -0.03 0.00 0.00 56.01 51.91 3hfr n LEU 223 Cb 0.56 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 3hfr n LEU 223 CO 0.68 1.19 0.23 -0.76 -1.33 0.00 0.00 177.39 177.41 3hfr s LEU 224 N -3.16 4.15 0.07 2.23 1.43 -1.25 -4.87 118.68 117.28 3hfr s LEU 224 Ca 0.40 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 53.87 3hfr s LEU 224 Cb 0.37 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 3hfr s LEU 224 CO -0.02 -0.17 1.11 -1.81 0.23 0.00 0.00 176.35 175.69 3hfr s ASP 225 N 1.13 7.22 0.42 2.29 1.01 -1.26 -4.93 116.67 122.54 3hfr s ASP 225 Ca 0.24 1.93 0.22 0.00 0.71 0.00 0.00 52.55 55.65 3hfr s ASP 225 Cb -0.15 -2.58 0.38 0.00 1.01 0.00 0.00 42.92 41.57 3hfr s ASP 225 CO 0.10 -0.34 1.61 0.00 0.21 0.00 0.00 175.17 176.75 3hfr h ALA 226 N 6.37 0.94 -2.60 5.23 0.00 -1.96 -3.45 119.26 123.79 3hfr h ALA 226 Ca -0.42 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 53.78 3hfr h ALA 226 Cb 1.21 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 3hfr h ALA 226 CO 0.77 0.13 -0.75 -0.08 0.00 0.00 0.00 179.25 179.32 3hfr s THR 227 N -3.21 2.73 -0.08 0.00 -1.32 -1.26 -5.02 115.64 107.49 3hfr s THR 227 Ca 0.06 -2.10 0.02 0.00 -1.21 0.00 0.00 61.69 58.45 3hfr s THR 227 Cb 0.06 -2.40 -0.02 0.00 -1.51 0.00 0.00 72.50 68.64 3hfr s THR 227 CO 0.67 -0.27 0.07 -0.67 -2.21 0.00 0.00 174.62 172.21 3hfr n ASP 228 N -0.33 0.32 -0.21 8.08 2.03 -1.26 -4.70 116.55 120.49 3hfr n ASP 228 Ca -0.08 -0.51 -0.09 0.00 0.52 0.00 0.00 54.79 54.63 3hfr n ASP 228 Cb 0.58 1.00 0.02 0.00 -0.72 0.00 0.00 41.12 42.01 3hfr n ASP 228 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hfr h GLU 229 N 0.00 0.98 -0.79 -0.67 9.09 -1.96 -3.21 114.58 118.02 3hfr h GLU 229 Ca 0.00 -0.27 -0.44 0.00 0.05 0.00 0.00 59.36 58.70 3hfr h GLU 229 Cb 0.04 -0.11 -0.25 0.00 -1.65 0.00 0.00 28.75 26.78 3hfr h GLU 229 CO 0.00 0.93 0.39 0.39 0.05 0.00 0.00 179.01 180.76 3hfr n GLU 230 N -4.31 2.26 -2.27 1.06 -0.58 -1.26 -4.99 120.64 110.56 3hfr n GLU 230 Ca 0.03 -3.18 -0.42 0.00 -0.42 0.00 0.00 57.16 53.17 3hfr n GLU 230 Cb 0.28 -2.09 -0.03 0.00 -0.57 0.00 0.00 31.44 29.03 3hfr n GLU 230 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3hfr s ILE 231 N -3.60 3.59 -0.34 -3.67 1.01 -1.21 -4.98 121.20 111.99 3hfr s ILE 231 Ca 0.54 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.33 3hfr s ILE 231 Cb 0.46 -3.73 0.14 0.00 0.01 0.00 0.00 42.46 39.34 3hfr s ILE 231 CO 0.05 0.09 0.23 -0.70 0.00 0.00 0.00 174.94 174.61 3hfr s GLU 232 N 1.12 0.51 0.56 2.79 2.12 -1.26 -5.09 118.70 119.45 3hfr s GLU 232 Ca 0.62 -1.11 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 3hfr s GLU 232 Cb -0.34 -1.16 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 3hfr s GLU 232 CO 0.30 -1.18 1.14 -1.01 -0.54 0.00 0.00 175.26 173.97 3hfr s HIS 233 N 1.30 2.63 -0.04 5.30 3.76 -1.26 -4.77 115.29 122.21 3hfr s HIS 233 Ca 0.16 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 56.65 3hfr s HIS 233 Cb -0.21 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.17 3hfr s HIS 233 CO -0.05 -1.67 -0.13 1.03 -0.85 0.00 0.00 174.74 173.06 3hfr s ARG 234 N -3.33 1.41 -0.12 1.40 1.81 -0.76 -4.95 118.95 114.41 3hfr s ARG 234 Ca 0.73 -0.45 0.03 0.00 -1.72 0.00 0.00 55.73 54.32 3hfr s ARG 234 Cb -0.25 -1.24 0.01 0.00 -0.45 0.00 0.00 34.95 33.02 3hfr s ARG 234 CO 0.28 0.16 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.79 3hfr s PHE 235 N 0.19 2.52 -0.03 -0.53 0.08 -1.25 -1.61 117.98 117.35 3hfr s PHE 235 Ca -0.05 -1.19 0.07 0.00 0.12 0.00 0.00 56.93 55.88 3hfr s PHE 235 Cb -0.11 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3hfr s PHE 235 CO 0.02 -0.53 -0.24 -0.06 -0.10 0.00 0.00 175.22 174.30 3hfr s PHE 236 N 0.70 2.39 0.03 0.36 0.08 0.94 -0.54 117.98 121.94 3hfr s PHE 236 Ca -0.11 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.52 3hfr s PHE 236 Cb -0.16 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 3hfr s PHE 236 CO 0.01 -0.03 -0.05 -0.08 -0.10 0.00 0.00 175.22 174.98 3hfr s THR 237 N -0.58 0.30 -1.92 0.64 -1.32 -0.24 -1.19 115.64 111.35 3hfr s THR 237 Ca 0.09 -0.84 0.27 0.00 -1.21 0.00 0.00 61.69 59.99 3hfr s THR 237 Cb -0.10 -0.39 0.35 0.00 -1.51 0.00 0.00 72.50 70.85 3hfr s THR 237 CO -0.00 -0.36 1.64 0.35 -2.21 0.00 0.00 174.62 174.04 3hfr n THR 238 N 1.79 0.00 -0.86 5.08 -2.24 -1.12 -0.66 114.28 116.27 3hfr n THR 238 Ca -0.22 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3hfr n THR 238 Cb 0.56 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3hfr n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hfr n GLY 239 N 1.29 3.94 3.68 3.38 0.00 -1.26 -4.31 105.19 111.91 3hfr n GLY 239 Ca 0.14 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3hfr n GLY 239 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hfr s SER 240 N 0.27 6.79 0.18 1.61 0.15 -1.26 -4.90 113.70 116.53 3hfr s SER 240 Ca 0.00 2.13 -0.08 0.00 0.70 0.00 0.00 55.95 58.69 3hfr s SER 240 Cb 0.00 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.83 3hfr s SER 240 CO 0.00 -0.80 1.59 0.71 1.20 0.00 0.00 173.24 175.94 3hfr h THR 241 N 5.18 1.27 -0.28 6.45 1.35 -1.92 -3.06 112.91 121.90 3hfr h THR 241 Ca -0.37 -1.33 -0.05 0.00 -0.55 0.00 0.00 66.41 64.11 3hfr h THR 241 Cb 1.17 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 3hfr h THR 241 CO 0.93 0.46 -0.02 -0.61 -0.25 0.00 0.00 175.52 176.03 3hfr h GLN 242 N 0.84 0.50 -0.79 4.72 5.75 -1.93 0.16 115.11 124.36 3hfr h GLN 242 Ca 0.12 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3hfr h GLN 242 Cb 0.74 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.21 3hfr h GLN 242 CO 0.06 0.67 0.50 0.82 -2.65 0.00 0.00 178.83 178.23 3hfr h ILE 243 N 0.27 1.21 0.33 2.39 1.08 -1.98 -0.52 117.51 120.29 3hfr h ILE 243 Ca 0.08 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3hfr h ILE 243 Cb 0.45 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 3hfr h ILE 243 CO 0.02 0.21 -0.16 0.15 -0.69 0.00 0.00 178.15 177.68 3hfr h PHE 244 N 1.07 -0.41 -0.63 1.37 3.57 -1.43 -2.81 116.94 117.67 3hfr h PHE 244 Ca 0.29 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.90 3hfr h PHE 244 Cb -0.08 0.13 -0.12 0.00 2.79 0.00 0.00 35.95 38.68 3hfr h PHE 244 CO -0.01 -0.07 -0.11 -0.22 -2.23 0.00 0.00 178.31 175.67 3hfr h LYS 245 N -0.81 0.03 -0.98 1.11 3.64 -0.88 0.36 116.57 119.04 3hfr h LYS 245 Ca -0.04 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3hfr h LYS 245 Cb 0.52 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 3hfr h LYS 245 CO 0.07 0.02 0.64 -0.44 -2.27 0.00 0.00 179.45 177.47 3hfr h ASP 246 N 0.03 1.04 0.30 4.20 3.32 -1.06 0.50 116.42 124.76 3hfr h ASP 246 Ca 0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3hfr h ASP 246 Cb 0.49 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3hfr h ASP 246 CO -0.61 0.69 -0.15 0.40 -1.72 0.00 0.00 179.24 177.85 3hfr h ILE 247 N 1.20 0.54 -0.70 0.35 1.08 -1.10 -3.33 117.51 115.54 3hfr h ILE 247 Ca 0.41 -0.78 0.07 0.00 -0.39 0.00 0.00 64.86 64.17 3hfr h ILE 247 Cb 0.09 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 34.63 3hfr h ILE 247 CO -0.15 0.12 0.38 0.00 -0.69 0.00 0.00 178.15 177.81 3hfr h ALA 248 N -0.54 0.96 0.00 1.87 0.00 0.18 -1.79 119.26 119.94 3hfr h ALA 248 Ca -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hfr h ALA 248 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hfr h ALA 248 CO 0.07 0.03 -0.15 1.57 0.00 0.00 0.00 179.25 180.77 3hfr h LYS 249 N 0.68 0.00 0.05 0.00 2.10 -1.08 0.24 116.57 118.56 3hfr h LYS 249 Ca 0.33 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3hfr h LYS 249 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 3hfr h LYS 249 CO -0.21 0.15 -0.02 0.22 -2.00 0.00 0.00 179.45 177.58 3hfr h ASP 250 N 0.00 -0.06 -0.57 7.07 3.58 -1.45 -2.67 116.42 122.31 3hfr h ASP 250 Ca -0.00 -0.60 -0.09 0.00 0.42 0.00 0.00 57.03 56.76 3hfr h ASP 250 Cb 0.44 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3hfr h ASP 250 CO 0.02 0.65 0.01 -0.50 -2.88 0.00 0.00 179.24 176.54 3hfr h TRP 251 N -0.85 1.11 -0.02 0.28 6.55 -1.06 -2.77 115.95 119.20 3hfr h TRP 251 Ca -0.01 -0.18 0.00 0.00 0.95 0.00 0.00 58.89 59.65 3hfr h TRP 251 Cb 0.65 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.66 3hfr h TRP 251 CO 0.15 0.98 -0.15 1.28 -1.05 0.00 0.00 178.44 179.65 3hfr n LEU 252 N -4.19 1.76 -2.69 -4.49 4.77 0.04 -4.95 117.00 107.25 3hfr n LEU 252 Ca 0.03 -0.58 -0.03 0.00 -0.03 0.00 0.00 56.01 55.41 3hfr n LEU 252 Cb 0.33 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3hfr n LEU 252 CO 0.44 0.31 -0.37 -3.20 -1.33 0.00 0.00 177.39 173.24 3hfr n ASN 253 N 0.15 -3.84 0.00 -1.43 2.85 -1.01 -5.02 115.26 106.96 3hfr n ASN 253 Ca 0.14 1.25 0.00 0.00 -0.11 0.00 0.00 54.58 55.86 3hfr n ASN 253 Cb 0.42 -3.66 0.00 0.00 1.24 0.00 0.00 39.78 37.79 3hfr n ASN 253 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3hfr n PRO 255 N 2.05 1.40 -3.41 1.20 -0.04 -1.26 -5.05 135.00 129.89 3hfr n PRO 255 Ca -0.20 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.82 3hfr n PRO 255 Cb 0.31 -0.18 -0.03 0.00 -0.04 0.00 0.00 33.50 33.56 3hfr n PRO 255 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hfr s ASP 256 N -0.34 6.68 -0.20 3.54 1.01 -1.26 -5.07 116.67 121.03 3hfr s ASP 256 Ca 0.00 -3.10 -0.20 0.00 0.71 0.00 0.00 52.55 49.95 3hfr s ASP 256 Cb 0.00 -2.14 0.05 0.00 1.01 0.00 0.00 42.92 41.85 3hfr s ASP 256 CO 0.00 -0.42 0.57 -0.89 0.21 0.00 0.00 175.17 174.64 3hfr s THR 258 N -0.47 0.00 -0.15 -1.27 2.01 -1.26 -5.22 115.64 109.28 3hfr s THR 258 Ca 0.23 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.22 3hfr s THR 258 Cb -0.11 -0.80 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 3hfr s THR 258 CO -0.08 -0.01 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.98 3hfr s VAL 259 N 0.17 2.61 -0.16 3.82 1.01 -1.26 -3.91 120.40 122.68 3hfr s VAL 259 Ca -0.01 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 3hfr s VAL 259 Cb -0.04 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3hfr s VAL 259 CO 0.01 0.52 0.06 -1.61 0.00 0.00 0.00 175.10 174.08 3hfr s GLU 260 N 0.72 3.72 0.12 2.72 2.02 0.30 -4.89 118.70 123.40 3hfr s GLU 260 Ca -0.07 -0.33 -0.27 0.00 0.02 0.00 0.00 54.97 54.32 3hfr s GLU 260 Cb -0.16 -3.12 -0.07 0.00 0.10 0.00 0.00 34.13 30.88 3hfr s GLU 260 CO 0.01 0.42 0.83 -1.58 0.02 0.00 0.00 175.26 174.96 3hfr s HIS 261 N -0.05 3.84 0.22 1.61 5.65 -1.26 -1.08 115.29 124.21 3hfr s HIS 261 Ca 0.06 1.64 0.03 0.00 0.25 0.00 0.00 55.06 57.04 3hfr s HIS 261 Cb -0.12 -2.87 -0.05 0.00 -1.18 0.00 0.00 32.58 28.36 3hfr s HIS 261 CO 0.01 0.36 0.01 0.96 -0.65 0.00 0.00 174.74 175.43 3hfr s ILE 262 N -0.52 0.86 -0.16 0.89 -4.36 0.16 -4.89 121.20 113.18 3hfr s ILE 262 Ca 0.40 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.76 3hfr s ILE 262 Cb -0.23 -2.31 -0.01 0.00 1.25 0.00 0.00 42.46 41.16 3hfr s ILE 262 CO 0.26 -0.33 -0.12 -0.75 0.24 0.00 0.00 174.94 174.25 3hfr s LYS 263 N -3.90 3.34 -0.05 0.37 2.47 -1.26 -4.28 119.74 116.43 3hfr s LYS 263 Ca 0.28 -0.68 0.05 0.00 -1.56 0.00 0.00 55.97 54.06 3hfr s LYS 263 Cb 0.06 -2.72 -0.00 0.00 -1.46 0.00 0.00 37.83 33.71 3hfr s LYS 263 CO 0.08 0.07 -0.20 -0.51 0.16 0.00 0.00 175.35 174.95 3hfr s LEU 264 N 0.73 1.96 0.00 5.43 1.43 -1.26 -5.11 118.68 121.86 3hfr s LEU 264 Ca -0.05 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3hfr s LEU 264 Cb -0.15 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.96 3hfr s LEU 264 CO 0.02 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3hfr n GLY 265 N 3.13 -0.33 0.00 -3.19 0.00 -1.26 -5.18 105.19 98.36 3hfr n GLY 265 Ca -0.18 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 44.88 3hfr n GLY 265 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90