#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfg s LEU 23 N 0.00 4.05 -1.33 2.45 1.02 -0.92 -4.92 118.68 119.04 3hfg s LEU 23 Ca 0.00 2.06 -0.14 0.00 0.02 0.00 0.00 54.13 56.07 3hfg s LEU 23 Cb 0.00 -3.53 0.10 0.00 0.02 0.00 0.00 46.19 42.78 3hfg s LEU 23 CO 0.00 -1.24 1.85 -3.20 0.02 0.00 0.00 176.35 173.78 3hfg n ASN 24 N 8.44 4.72 -3.55 2.29 5.15 -1.26 -4.89 115.26 126.15 3hfg n ASN 24 Ca 0.20 -2.95 -0.15 0.00 -0.60 0.00 0.00 54.58 51.08 3hfg n ASN 24 Cb 0.44 -1.63 -0.06 0.00 -0.53 0.00 0.00 39.78 38.00 3hfg n ASN 24 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3hfg s GLU 25 N 2.54 0.87 0.31 1.20 2.12 -1.26 -5.15 118.70 119.33 3hfg s GLU 25 Ca 0.46 0.30 -0.27 0.00 0.36 0.00 0.00 54.97 55.83 3hfg s GLU 25 Cb 0.07 0.41 -0.10 0.00 0.26 0.00 0.00 34.13 34.78 3hfg s GLU 25 CO -0.00 -0.25 0.96 -2.00 -0.54 0.00 0.00 175.26 173.42 3hfg s GLU 26 N -0.97 4.60 0.46 4.30 2.56 -1.26 -5.01 118.70 123.39 3hfg s GLU 26 Ca -0.07 1.39 -0.23 0.00 0.00 0.00 0.00 54.97 56.06 3hfg s GLU 26 Cb -0.01 -2.87 -0.07 0.00 2.00 0.00 0.00 34.13 33.18 3hfg s GLU 26 CO 0.06 0.29 1.24 0.12 -0.56 0.00 0.00 175.26 176.40 3hfg s PHE 27 N -1.53 2.74 -0.05 5.30 5.36 -1.26 -5.04 117.98 123.50 3hfg s PHE 27 Ca 0.49 1.48 -0.02 0.00 -0.96 0.00 0.00 56.93 57.92 3hfg s PHE 27 Cb -0.21 -3.53 0.03 0.00 -0.34 0.00 0.00 43.02 38.97 3hfg s PHE 27 CO 0.26 -1.92 0.04 1.03 -1.46 0.00 0.00 175.22 173.17 3hfg s ARG 28 N -2.63 0.10 0.43 10.12 0.52 -1.26 -5.03 118.95 121.20 3hfg s ARG 28 Ca 0.64 0.29 0.30 0.00 -0.52 0.00 0.00 55.73 56.43 3hfg s ARG 28 Cb -0.33 -0.60 1.47 0.00 0.52 0.00 0.00 34.95 36.00 3hfg s ARG 28 CO 0.41 -0.30 1.58 -2.30 0.02 0.00 0.00 175.30 174.70 3hfg n PRO 29 N 5.14 -0.04 0.32 3.54 -0.02 -1.26 0.05 135.00 142.72 3hfg n PRO 29 Ca -0.07 1.29 0.20 0.00 -2.02 0.00 0.00 63.50 62.91 3hfg n PRO 29 Cb 0.50 -2.49 1.07 0.00 -0.02 0.00 0.00 33.50 32.56 3hfg n PRO 29 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hfg h GLU 30 N 0.00 0.00 0.00 -0.52 3.07 -1.96 -1.68 114.58 113.49 3hfg h GLU 30 Ca 0.88 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.74 3hfg h GLU 30 Cb 2.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.62 3hfg h GLU 30 CO -0.55 0.00 0.17 0.52 -1.40 0.00 0.00 179.01 177.76 3hfg h MET 31 N 0.00 0.00 -0.01 2.33 2.86 -0.77 -0.80 114.93 118.55 3hfg h MET 31 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hfg h MET 31 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3hfg h MET 31 CO -0.00 0.00 -0.03 1.28 1.06 0.00 0.00 176.91 179.22 3hfg n LEU 32 N -2.52 1.68 -4.63 1.22 4.77 -0.63 -4.79 117.00 112.11 3hfg n LEU 32 Ca -0.02 -0.96 -0.43 0.00 -0.03 0.00 0.00 56.01 54.57 3hfg n LEU 32 Cb 0.21 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3hfg n LEU 32 CO 0.11 0.33 1.71 1.67 -1.33 0.00 0.00 177.39 179.89 3hfg n GLN 33 N 0.39 2.37 -1.01 3.23 7.27 -0.31 -1.34 117.38 127.99 3hfg n GLN 33 Ca 0.05 0.79 -0.00 0.00 0.07 0.00 0.00 57.00 57.91 3hfg n GLN 33 Cb 0.23 -3.07 -0.00 0.00 2.41 0.00 0.00 30.24 29.82 3hfg n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hfg n GLY 34 N 5.14 0.29 3.74 1.69 0.00 -1.05 -4.92 105.19 110.07 3hfg n GLY 34 Ca 0.25 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3hfg n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfg s LYS 35 N -0.98 4.58 -0.37 1.61 -0.14 -0.45 -4.67 119.74 119.33 3hfg s LYS 35 Ca 0.00 1.75 -0.20 0.00 -1.36 0.00 0.00 55.97 56.16 3hfg s LYS 35 Cb 0.00 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.89 3hfg s LYS 35 CO 0.00 0.07 0.61 0.15 -0.76 0.00 0.00 175.35 175.42 3hfg s LYS 36 N -0.48 3.61 -0.03 1.68 1.02 -1.26 -1.56 119.74 122.71 3hfg s LYS 36 Ca 0.49 -0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.47 3hfg s LYS 36 Cb -0.30 -3.83 -0.00 0.00 -0.52 0.00 0.00 37.83 33.17 3hfg s LYS 36 CO 0.36 -0.76 -0.16 0.08 -0.92 0.00 0.00 175.35 173.95 3hfg s VAL 37 N 2.66 1.34 -0.11 3.17 1.01 0.15 -0.69 120.40 127.92 3hfg s VAL 37 Ca 0.23 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3hfg s VAL 37 Cb -0.15 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3hfg s VAL 37 CO 0.15 0.39 0.10 -0.63 0.00 0.00 0.00 175.10 175.11 3hfg s ILE 38 N -0.04 5.20 -0.14 2.22 1.01 -0.69 -1.27 121.20 127.49 3hfg s ILE 38 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 3hfg s ILE 38 Cb -0.10 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.15 3hfg s ILE 38 CO 0.01 0.61 -0.06 -0.69 0.00 0.00 0.00 174.94 174.82 3hfg s VAL 39 N -0.97 1.02 0.42 2.92 1.01 -0.42 -1.61 120.40 122.76 3hfg s VAL 39 Ca 0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3hfg s VAL 39 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3hfg s VAL 39 CO 0.03 0.21 0.69 0.42 0.00 0.00 0.00 175.10 176.46 3hfg s THR 40 N 1.69 4.98 -1.38 3.92 -4.23 -0.75 -2.31 115.64 117.56 3hfg s THR 40 Ca 0.02 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.50 3hfg s THR 40 Cb -0.14 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.87 3hfg s THR 40 CO -0.08 -0.69 0.67 0.61 -0.54 0.00 0.00 174.62 174.59 3hfg n GLY 41 N -1.94 -0.31 1.16 3.99 0.00 -0.96 -3.72 105.19 103.40 3hfg n GLY 41 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 3hfg n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfg n ALA 42 N -4.37 3.99 0.50 4.61 0.00 -0.90 -3.72 120.51 120.62 3hfg n ALA 42 Ca -0.24 -2.87 0.12 0.00 0.00 0.00 0.00 53.44 50.45 3hfg n ALA 42 Cb 0.65 -0.78 0.10 0.00 0.00 0.00 0.00 19.45 19.42 3hfg n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hfg n SER 43 N -0.94 0.69 -0.38 0.00 3.41 -1.26 -3.93 113.62 111.21 3hfg n SER 43 Ca 0.31 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3hfg n SER 43 Cb 1.04 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 3hfg n SER 43 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3hfg n LYS 44 N -2.15 0.00 0.00 4.33 2.85 -1.26 -4.76 118.16 117.17 3hfg n LYS 44 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 3hfg n LYS 44 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 3hfg n LYS 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hfg n GLY 45 N 0.00 1.27 0.18 2.58 0.00 -1.26 -1.16 105.19 106.80 3hfg n GLY 45 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.75 3hfg n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hfg h ILE 46 N 0.00 1.11 -0.24 -0.61 2.04 -1.90 -2.77 117.51 115.14 3hfg h ILE 46 Ca 0.00 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.31 3hfg h ILE 46 Cb 0.00 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3hfg h ILE 46 CO 0.00 0.39 -0.21 1.23 0.00 0.00 0.00 178.15 179.56 3hfg h GLY 47 N 1.56 0.47 0.90 5.37 0.00 -1.57 -0.24 103.07 109.55 3hfg h GLY 47 Ca -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3hfg h GLY 47 CO 0.05 0.33 0.00 -0.09 0.00 0.00 0.00 176.54 176.84 3hfg h ARG 48 N 0.39 0.58 -0.64 4.80 2.43 -0.86 -2.92 114.38 118.16 3hfg h ARG 48 Ca 0.06 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3hfg h ARG 48 Cb 0.59 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3hfg h ARG 48 CO 0.04 0.70 0.42 0.93 -1.51 0.00 0.00 179.97 180.55 3hfg h GLU 49 N 0.38 0.85 -0.03 0.20 4.39 -1.23 -2.09 114.58 117.05 3hfg h GLU 49 Ca 0.09 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 3hfg h GLU 49 Cb 0.44 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3hfg h GLU 49 CO 0.02 0.57 -0.19 0.52 -1.16 0.00 0.00 179.01 178.77 3hfg h MET 50 N 0.87 0.05 -0.14 2.33 2.86 -1.05 -2.40 114.93 117.44 3hfg h MET 50 Ca 0.24 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3hfg h MET 50 Cb -0.09 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3hfg h MET 50 CO -0.05 0.24 -0.04 0.00 1.06 0.00 0.00 176.91 178.12 3hfg h ALA 51 N 1.77 0.19 0.41 6.32 0.00 -1.19 -1.71 119.26 125.05 3hfg h ALA 51 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hfg h ALA 51 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hfg h ALA 51 CO 0.03 -0.05 -0.28 1.88 0.00 0.00 0.00 179.25 180.83 3hfg h TYR 52 N -0.04 -0.73 -0.69 0.00 0.05 -1.20 0.14 116.97 114.51 3hfg h TYR 52 Ca 0.03 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.96 3hfg h TYR 52 Cb 0.47 0.26 -0.11 0.00 1.01 0.00 0.00 36.73 38.37 3hfg h TYR 52 CO 0.05 -0.42 0.13 0.45 -1.05 0.00 0.00 178.16 177.32 3hfg h HIS 53 N -0.67 0.18 -0.25 4.88 3.86 -1.47 0.18 115.15 121.86 3hfg h HIS 53 Ca -0.04 0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 3hfg h HIS 53 Cb 0.56 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3hfg h HIS 53 CO -0.11 -0.10 -0.04 -0.07 0.86 0.00 0.00 177.93 178.46 3hfg h LEU 54 N 0.23 0.36 0.34 2.43 3.38 -0.83 -2.60 115.31 118.63 3hfg h LEU 54 Ca 0.38 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3hfg h LEU 54 Cb 0.63 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hfg h LEU 54 CO -0.50 0.46 -0.16 0.00 0.09 0.00 0.00 178.44 178.32 3hfg h ALA 55 N 1.59 -0.46 -0.68 1.53 0.00 0.21 -1.88 119.26 119.57 3hfg h ALA 55 Ca 0.08 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.02 3hfg h ALA 55 Cb 0.32 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hfg h ALA 55 CO 0.01 -0.65 0.49 0.87 0.00 0.00 0.00 179.25 179.97 3hfg h LYS 56 N -0.67 0.02 -0.55 0.00 1.57 -0.89 0.34 116.57 116.40 3hfg h LYS 56 Ca -0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hfg h LYS 56 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3hfg h LYS 56 CO 0.08 0.02 0.00 -1.33 -0.57 0.00 0.00 179.45 177.64 3hfg n MET 57 N -4.34 2.22 -1.52 3.15 2.81 -1.00 -4.89 117.12 113.55 3hfg n MET 57 Ca 0.13 -1.29 -0.15 0.00 -1.81 0.00 0.00 57.70 54.58 3hfg n MET 57 Cb 0.74 -1.53 -0.06 0.00 -0.71 0.00 0.00 33.22 31.66 3hfg n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hfg n GLY 58 N 0.69 1.39 3.82 3.03 0.00 0.12 -2.72 105.19 111.51 3hfg n GLY 58 Ca 0.12 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3hfg n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfg s ALA 59 N -2.58 2.77 -0.22 4.61 0.00 -0.72 -2.53 121.76 123.08 3hfg s ALA 59 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 3hfg s ALA 59 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3hfg s ALA 59 CO 0.00 -0.91 0.94 -1.01 0.00 0.00 0.00 175.76 174.79 3hfg s HIS 60 N -2.74 3.35 -0.01 0.00 3.76 -0.60 -1.57 115.29 117.47 3hfg s HIS 60 Ca 0.60 1.34 0.08 0.00 -0.15 0.00 0.00 55.06 56.93 3hfg s HIS 60 Cb -0.14 -3.16 -0.02 0.00 1.11 0.00 0.00 32.58 30.36 3hfg s HIS 60 CO 0.44 -0.41 -0.24 0.54 -0.85 0.00 0.00 174.74 174.22 3hfg s VAL 61 N 2.90 2.28 -0.16 -0.90 0.11 -0.95 -0.68 120.40 123.00 3hfg s VAL 61 Ca 0.41 -1.11 0.01 0.00 -2.93 0.00 0.00 61.98 58.35 3hfg s VAL 61 Cb -0.15 -1.84 0.02 0.00 -1.53 0.00 0.00 36.38 32.88 3hfg s VAL 61 CO 0.08 0.52 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.52 3hfg s VAL 62 N -0.69 1.72 0.17 2.04 1.01 -0.40 -2.03 120.40 122.22 3hfg s VAL 62 Ca 0.11 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.42 3hfg s VAL 62 Cb -0.10 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3hfg s VAL 62 CO 0.00 0.48 0.09 0.68 0.00 0.00 0.00 175.10 176.35 3hfg s VAL 63 N 1.43 4.21 0.11 2.92 -7.23 0.47 -1.30 120.40 121.01 3hfg s VAL 63 Ca 0.05 -1.22 -0.09 0.00 -1.81 0.00 0.00 61.98 58.91 3hfg s VAL 63 Cb -0.13 -3.14 -0.00 0.00 0.56 0.00 0.00 36.38 33.67 3hfg s VAL 63 CO -0.11 -0.12 0.23 0.28 -0.31 0.00 0.00 175.10 175.07 3hfg s THR 64 N -1.76 0.11 -2.66 5.32 -1.32 -0.98 -1.79 115.64 112.57 3hfg s THR 64 Ca 0.30 -1.22 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 3hfg s THR 64 Cb -0.10 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.40 3hfg s THR 64 CO 0.22 -0.52 0.00 0.00 -2.21 0.00 0.00 174.62 172.11 3hfg n ALA 65 N -0.12 0.00 -0.00 11.08 0.00 -1.24 -2.12 120.51 128.11 3hfg n ALA 65 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 3hfg n ALA 65 Cb 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 3hfg n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfg h ARG 66 N 0.00 0.13 -5.90 0.00 3.08 -1.85 0.29 114.38 110.14 3hfg h ARG 66 Ca 0.00 -0.23 -0.60 0.00 0.07 0.00 0.00 59.98 59.22 3hfg h ARG 66 Cb 0.00 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.03 3hfg h ARG 66 CO 0.00 0.85 0.47 -1.54 -1.07 0.00 0.00 179.97 178.68 3hfg s SER 67 N -6.57 6.62 0.31 7.04 1.04 -1.26 -4.34 113.70 116.53 3hfg s SER 67 Ca -0.12 0.48 0.10 0.00 0.48 0.00 0.00 55.95 56.89 3hfg s SER 67 Cb 0.07 -2.42 0.51 0.00 0.10 0.00 0.00 66.02 64.27 3hfg s SER 67 CO 0.80 -0.77 1.71 0.07 0.98 0.00 0.00 173.24 176.03 3hfg h LYS 68 N 8.43 0.05 0.03 4.02 2.10 -1.97 -2.97 116.57 126.27 3hfg h LYS 68 Ca -0.24 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3hfg h LYS 68 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3hfg h LYS 68 CO 0.94 0.53 -0.02 0.93 -2.00 0.00 0.00 179.45 179.83 3hfg h GLU 69 N 0.04 -0.04 -0.53 0.07 3.07 -2.01 -2.48 114.58 112.71 3hfg h GLU 69 Ca -0.00 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.99 3hfg h GLU 69 Cb 0.88 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.77 3hfg h GLU 69 CO 0.07 -0.03 0.37 1.79 -1.40 0.00 0.00 179.01 179.81 3hfg h THR 70 N -0.05 0.80 -0.41 1.13 1.35 -1.93 -1.11 112.91 112.70 3hfg h THR 70 Ca -0.00 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 3hfg h THR 70 Cb 0.03 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 3hfg h THR 70 CO 0.01 0.03 0.21 -0.07 -0.25 0.00 0.00 175.52 175.45 3hfg h LEU 71 N 0.15 0.52 0.00 3.87 3.38 -1.52 -1.55 115.31 120.16 3hfg h LEU 71 Ca 0.25 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hfg h LEU 71 Cb 0.80 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3hfg h LEU 71 CO -0.03 0.48 -0.10 1.56 0.09 0.00 0.00 178.44 180.44 3hfg h GLN 72 N 0.52 -0.16 -0.98 1.13 4.20 -0.73 0.23 115.11 119.32 3hfg h GLN 72 Ca 0.14 0.01 0.27 0.00 0.06 0.00 0.00 58.65 59.13 3hfg h GLN 72 Cb 0.08 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 27.76 3hfg h GLN 72 CO -0.02 -0.11 0.53 -0.22 -0.67 0.00 0.00 178.83 178.34 3hfg h LYS 73 N -0.17 0.41 0.02 1.46 3.64 -1.26 0.38 116.57 121.05 3hfg h LYS 73 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hfg h LYS 73 Cb 0.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3hfg h LYS 73 CO -0.10 0.27 -0.01 0.28 -2.27 0.00 0.00 179.45 177.63 3hfg h VAL 74 N 0.42 1.44 -0.09 2.00 2.07 -0.20 -3.04 116.25 118.85 3hfg h VAL 74 Ca 0.66 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.78 3hfg h VAL 74 Cb 1.37 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 33.49 3hfg h VAL 74 CO -0.55 0.37 -0.23 0.58 0.02 0.00 0.00 177.57 177.76 3hfg h VAL 75 N -0.65 0.46 -0.99 2.57 2.07 0.32 -1.04 116.25 118.99 3hfg h VAL 75 Ca -0.00 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.85 3hfg h VAL 75 Cb 0.62 0.46 -0.18 0.00 -1.52 0.00 0.00 31.29 30.67 3hfg h VAL 75 CO 0.00 0.00 0.26 0.28 0.02 0.00 0.00 177.57 178.13 3hfg h SER 76 N -0.31 -0.11 0.88 0.57 0.02 -0.33 -0.11 113.55 114.17 3hfg h SER 76 Ca 0.09 0.27 -0.23 0.00 -0.84 0.00 0.00 61.79 61.08 3hfg h SER 76 Cb 0.43 0.38 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 3hfg h SER 76 CO -0.27 -0.37 -1.17 -0.74 -1.14 0.00 0.00 176.83 173.14 3hfg h HIS 77 N 0.03 0.00 -0.51 3.45 6.17 -1.12 -3.22 115.15 119.94 3hfg h HIS 77 Ca 0.70 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.74 3hfg h HIS 77 Cb 1.64 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.55 3hfg h HIS 77 CO -0.28 0.96 0.16 0.00 0.71 0.00 0.00 177.93 179.49 3hfg h LEU 79 N 0.70 -0.46 -0.24 0.00 3.38 -1.48 -2.32 115.31 114.89 3hfg h LEU 79 Ca 0.17 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3hfg h LEU 79 Cb 0.27 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hfg h LEU 79 CO -0.01 -0.19 0.00 -0.62 0.09 0.00 0.00 178.44 177.72 3hfg n GLU 80 N -5.29 0.10 0.07 1.13 1.02 -1.14 -1.84 120.64 114.68 3hfg n GLU 80 Ca -0.02 0.27 0.02 0.00 -0.02 0.00 0.00 57.16 57.40 3hfg n GLU 80 Cb 0.21 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 29.92 3hfg n GLU 80 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hfg h LEU 81 N 0.00 0.00 0.00 -4.62 3.38 -0.86 -3.48 115.31 109.73 3hfg h LEU 81 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hfg h LEU 81 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hfg h LEU 81 CO 0.00 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.64 3hfg n GLY 82 N 1.33 0.26 3.64 0.83 0.00 -0.77 -4.24 105.19 106.23 3hfg n GLY 82 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3hfg n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfg n ALA 83 N 0.00 0.47 0.19 4.61 0.00 -0.94 -3.98 120.51 120.86 3hfg n ALA 83 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.57 3hfg n ALA 83 Cb 0.00 -2.15 0.33 0.00 0.00 0.00 0.00 19.45 17.63 3hfg n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfg h ALA 84 N 0.87 0.98 -1.97 0.00 0.00 -1.24 -3.46 119.26 114.43 3hfg h ALA 84 Ca -0.48 -0.33 0.20 0.00 0.00 0.00 0.00 54.91 54.30 3hfg h ALA 84 Cb 1.35 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 3hfg h ALA 84 CO 0.53 0.45 0.62 -1.54 0.00 0.00 0.00 179.25 179.32 3hfg s SER 85 N -6.41 -0.20 -0.30 0.00 1.04 -1.25 -4.93 113.70 101.65 3hfg s SER 85 Ca 0.00 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 3hfg s SER 85 Cb 0.11 0.32 0.13 0.00 0.10 0.00 0.00 66.02 66.68 3hfg s SER 85 CO 0.68 -0.57 0.64 0.00 0.98 0.00 0.00 173.24 174.97 3hfg s ALA 86 N -2.89 -2.04 0.15 5.32 0.00 -1.25 -2.25 121.76 118.80 3hfg s ALA 86 Ca 0.10 2.28 0.07 0.00 0.00 0.00 0.00 51.96 54.41 3hfg s ALA 86 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3hfg s ALA 86 CO -0.04 -0.95 -0.15 -1.01 0.00 0.00 0.00 175.76 173.61 3hfg s HIS 87 N 2.89 1.57 0.10 0.00 3.76 -0.86 -4.98 115.29 117.77 3hfg s HIS 87 Ca -0.04 -0.54 0.09 0.00 -0.15 0.00 0.00 55.06 54.42 3hfg s HIS 87 Cb -0.12 -0.79 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 3hfg s HIS 87 CO -0.19 0.23 -0.23 1.52 -0.85 0.00 0.00 174.74 175.22 3hfg s TYR 88 N -2.27 1.97 -0.14 1.40 -0.85 -1.26 -0.40 117.35 115.81 3hfg s TYR 88 Ca 0.13 -0.40 -0.03 0.00 -0.52 0.00 0.00 57.07 56.25 3hfg s TYR 88 Cb -0.04 -1.09 0.05 0.00 0.38 0.00 0.00 41.96 41.26 3hfg s TYR 88 CO 0.04 0.24 0.05 0.42 -1.52 0.00 0.00 175.55 174.78 3hfg s ILE 89 N -1.09 0.25 0.10 -3.49 1.01 -0.74 -4.95 121.20 112.29 3hfg s ILE 89 Ca 0.09 -0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 3hfg s ILE 89 Cb -0.10 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.61 3hfg s ILE 89 CO 0.05 -0.08 0.87 0.00 0.00 0.00 0.00 174.94 175.77 3hfg s ALA 90 N 2.00 3.32 0.11 9.38 0.00 -1.26 -3.71 121.76 131.60 3hfg s ALA 90 Ca 0.02 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.18 3hfg s ALA 90 Cb -0.15 -3.14 0.08 0.00 0.00 0.00 0.00 23.12 19.92 3hfg s ALA 90 CO -0.07 0.06 1.12 0.20 0.00 0.00 0.00 175.76 177.07 3hfg s GLY 91 N -0.24 -0.02 -0.11 0.00 0.00 0.10 -4.96 107.32 102.09 3hfg s GLY 91 Ca 0.42 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 45.05 3hfg s GLY 91 CO 0.27 2.88 -0.19 -1.08 0.00 0.00 0.00 173.10 174.98 3hfg s THR 92 N -2.24 2.46 -1.44 0.90 -1.32 -1.26 -2.62 115.64 110.12 3hfg s THR 92 Ca 0.22 -0.87 0.22 0.00 -1.21 0.00 0.00 61.69 60.05 3hfg s THR 92 Cb -0.01 -1.98 0.39 0.00 -1.51 0.00 0.00 72.50 69.38 3hfg s THR 92 CO 0.03 0.54 1.71 0.23 -2.21 0.00 0.00 174.62 174.92 3hfg n MET 93 N 3.55 0.32 0.27 7.08 0.00 -1.26 -1.95 117.12 125.12 3hfg n MET 93 Ca -0.19 0.08 0.13 0.00 0.00 0.00 0.00 57.70 57.72 3hfg n MET 93 Cb 0.53 -1.50 0.76 0.00 0.00 0.00 0.00 33.22 33.01 3hfg n MET 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3hfg h GLU 94 N 0.00 0.00 -4.59 0.03 5.08 -1.94 -3.40 114.58 109.76 3hfg h GLU 94 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 3hfg h GLU 94 Cb 0.20 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.25 3hfg h GLU 94 CO 0.00 0.10 -0.07 0.34 -1.00 0.00 0.00 179.01 178.37 3hfg s ASP 95 N -6.21 6.19 0.18 1.42 -1.08 -0.82 -4.93 116.67 111.42 3hfg s ASP 95 Ca -0.03 -1.29 0.17 0.00 -0.52 0.00 0.00 52.55 50.88 3hfg s ASP 95 Cb 0.14 -2.25 0.79 0.00 -1.46 0.00 0.00 42.92 40.13 3hfg s ASP 95 CO 0.58 -0.88 1.52 0.23 0.52 0.00 0.00 175.17 177.14 3hfg n MET 96 N 5.83 0.11 0.02 4.34 2.81 -1.26 -1.21 117.12 127.75 3hfg n MET 96 Ca -0.10 0.46 -0.06 0.00 -1.81 0.00 0.00 57.70 56.19 3hfg n MET 96 Cb 0.43 -1.76 -0.12 0.00 -0.71 0.00 0.00 33.22 31.07 3hfg n MET 96 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hfg h THR 97 N 0.00 1.03 -0.01 2.03 2.02 -1.94 -3.27 112.91 112.77 3hfg h THR 97 Ca 0.00 -2.76 -0.23 0.00 0.77 0.00 0.00 66.41 64.20 3hfg h THR 97 Cb 0.17 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 3hfg h THR 97 CO 0.00 0.58 -0.93 0.15 0.37 0.00 0.00 175.52 175.70 3hfg h PHE 98 N 0.00 0.67 -0.14 3.16 3.57 -1.48 -2.72 116.94 120.01 3hfg h PHE 98 Ca -0.17 -0.36 0.02 0.00 3.53 0.00 0.00 57.97 60.99 3hfg h PHE 98 Cb 1.84 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.48 3hfg h PHE 98 CO 0.00 1.17 0.03 0.00 -2.23 0.00 0.00 178.31 177.29 3hfg h ALA 99 N 0.71 0.14 -0.29 2.41 0.00 -1.57 0.15 119.26 120.81 3hfg h ALA 99 Ca -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hfg h ALA 99 Cb 1.56 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3hfg h ALA 99 CO 0.16 -0.41 0.16 1.49 0.00 0.00 0.00 179.25 180.65 3hfg h GLU 100 N 0.09 0.41 0.60 0.00 4.81 -1.63 -2.99 114.58 115.87 3hfg h GLU 100 Ca 0.06 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3hfg h GLU 100 Cb 0.05 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3hfg h GLU 100 CO -0.08 0.36 -0.32 1.96 -0.73 0.00 0.00 179.01 180.20 3hfg h GLN 101 N 0.35 -0.81 -0.85 1.92 4.20 -1.19 -3.09 115.11 115.64 3hfg h GLN 101 Ca 0.10 0.06 0.15 0.00 0.06 0.00 0.00 58.65 59.02 3hfg h GLN 101 Cb 0.07 0.18 -0.15 0.00 0.30 0.00 0.00 27.48 27.89 3hfg h GLN 101 CO -0.02 -0.54 -0.32 0.35 -0.67 0.00 0.00 178.83 177.63 3hfg h PHE 102 N -0.84 -0.84 -0.29 2.96 3.57 -0.72 0.16 116.94 120.94 3hfg h PHE 102 Ca -0.08 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3hfg h PHE 102 Cb 0.66 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3hfg h PHE 102 CO -0.06 -0.39 0.19 0.28 -2.23 0.00 0.00 178.31 176.11 3hfg h VAL 103 N -0.04 1.05 0.02 1.41 2.07 -1.48 0.21 116.25 119.49 3hfg h VAL 103 Ca 0.34 -0.12 -0.26 0.00 0.82 0.00 0.00 66.70 67.47 3hfg h VAL 103 Cb 0.60 0.66 0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3hfg h VAL 103 CO -0.88 0.07 -1.06 0.00 0.02 0.00 0.00 177.57 175.71 3hfg h ALA 104 N 1.82 0.16 -0.53 1.67 0.00 -0.76 -2.04 119.26 119.58 3hfg h ALA 104 Ca 0.11 -0.72 0.01 0.00 0.00 0.00 0.00 54.91 54.32 3hfg h ALA 104 Cb 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hfg h ALA 104 CO -0.02 0.72 0.34 1.96 0.00 0.00 0.00 179.25 182.25 3hfg h GLN 105 N 0.33 0.66 0.00 0.00 4.20 0.52 -1.49 115.11 119.33 3hfg h GLN 105 Ca -0.13 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3hfg h GLN 105 Cb 1.72 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.35 3hfg h GLN 105 CO 0.20 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 3hfg h ALA 106 N 1.21 1.00 -0.13 3.87 0.00 -0.70 -1.91 119.26 122.60 3hfg h ALA 106 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3hfg h ALA 106 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hfg h ALA 106 CO -0.06 0.00 -0.40 0.78 0.00 0.00 0.00 179.25 179.57 3hfg h GLY 107 N 3.28 0.54 0.89 0.00 0.00 -0.64 -3.06 103.07 104.08 3hfg h GLY 107 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 47.33 46.65 3hfg h GLY 107 CO 0.00 0.63 0.21 0.50 0.00 0.00 0.00 176.54 177.88 3hfg h LYS 108 N 0.09 0.41 0.00 4.80 1.57 -0.97 -0.29 116.57 122.19 3hfg h LYS 108 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3hfg h LYS 108 Cb 1.02 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 3hfg h LYS 108 CO 0.08 0.27 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.07 3hfg h LEU 109 N 0.43 0.00 0.00 2.94 3.38 -1.38 -3.10 115.31 117.58 3hfg h LEU 109 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hfg h LEU 109 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hfg h LEU 109 CO -0.08 0.10 -0.21 0.23 0.09 0.00 0.00 178.44 178.57 3hfg n MET 110 N -3.66 5.55 -1.06 1.13 2.81 -1.16 -5.00 117.12 115.72 3hfg n MET 110 Ca -0.02 -0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.85 3hfg n MET 110 Cb 0.21 -0.70 -0.01 0.00 -0.71 0.00 0.00 33.22 32.01 3hfg n MET 110 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hfg n GLY 111 N 1.12 0.55 0.00 3.03 0.00 -0.14 -4.91 105.19 104.83 3hfg n GLY 111 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3hfg n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfg n GLY 112 N -2.70 -1.48 3.18 -0.02 0.00 -1.05 -5.04 105.19 98.07 3hfg n GLY 112 Ca -0.02 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 3hfg n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hfg s LEU 113 N 0.00 0.25 -0.12 0.99 2.96 -1.26 -4.69 118.68 116.81 3hfg s LEU 113 Ca 0.00 0.71 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 3hfg s LEU 113 Cb 0.00 1.07 -0.09 0.00 0.50 0.00 0.00 46.19 47.66 3hfg s LEU 113 CO 0.00 -0.17 -0.08 0.47 -1.32 0.00 0.00 176.35 175.25 3hfg n ASP 114 N 4.02 2.90 -3.92 3.68 8.00 0.13 -3.99 116.55 127.38 3hfg n ASP 114 Ca -0.22 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.06 3hfg n ASP 114 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.50 3hfg n ASP 114 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3hfg s MET 115 N -2.25 0.42 -0.28 -1.24 1.75 -0.81 0.42 119.30 117.32 3hfg s MET 115 Ca -0.15 -0.12 0.03 0.00 -1.25 0.00 0.00 55.69 54.21 3hfg s MET 115 Cb 0.04 -0.45 0.07 0.00 2.84 0.00 0.00 34.83 37.33 3hfg s MET 115 CO 0.32 0.03 -0.07 -1.17 -0.65 0.00 0.00 175.02 173.48 3hfg s LEU 116 N 0.23 3.66 -0.43 4.11 2.96 0.99 -1.70 118.68 128.49 3hfg s LEU 116 Ca -0.02 -1.55 -0.12 0.00 -0.22 0.00 0.00 54.13 52.22 3hfg s LEU 116 Cb -0.06 -1.54 0.06 0.00 0.50 0.00 0.00 46.19 45.16 3hfg s LEU 116 CO -0.00 -0.23 0.31 -0.63 -1.32 0.00 0.00 176.35 174.47 3hfg s ILE 117 N 1.08 4.74 -0.44 6.68 1.01 -0.64 0.50 121.20 134.13 3hfg s ILE 117 Ca -0.05 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.26 3hfg s ILE 117 Cb -0.20 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.49 3hfg s ILE 117 CO -0.06 -0.48 0.61 -0.76 0.00 0.00 0.00 174.94 174.25 3hfg s LEU 118 N 1.54 4.58 0.00 2.97 1.43 0.21 -1.81 118.68 127.60 3hfg s LEU 118 Ca 0.03 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3hfg s LEU 118 Cb -0.23 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.33 3hfg s LEU 118 CO 0.05 -0.75 0.00 -3.20 0.23 0.00 0.00 176.35 172.68 3hfg n ASN 119 N 6.15 3.55 -4.76 2.29 5.15 -1.25 -1.47 115.26 124.92 3hfg n ASN 119 Ca -0.03 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.57 3hfg n ASN 119 Cb 0.48 0.28 0.03 0.00 -0.53 0.00 0.00 39.78 40.04 3hfg n ASN 119 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3hfg s HIS 120 N -1.75 2.39 0.05 1.20 -3.43 -1.24 -4.85 115.29 107.66 3hfg s HIS 120 Ca 0.00 1.36 -0.00 0.00 -0.80 0.00 0.00 55.06 55.62 3hfg s HIS 120 Cb 0.00 -3.79 -0.04 0.00 -1.43 0.00 0.00 32.58 27.33 3hfg s HIS 120 CO 0.00 -2.76 -0.04 0.96 -2.00 0.00 0.00 174.74 170.90 3hfg s ILE 121 N -1.30 0.29 0.68 -5.38 -4.36 -1.26 -4.66 121.20 105.21 3hfg s ILE 121 Ca 0.68 -1.59 -0.11 0.00 -0.26 0.00 0.00 60.65 59.37 3hfg s ILE 121 Cb -0.40 -1.22 -0.00 0.00 1.25 0.00 0.00 42.46 42.09 3hfg s ILE 121 CO 0.49 -0.84 1.06 0.28 0.24 0.00 0.00 174.94 176.17 3hfg s THR 122 N -3.19 4.11 -0.42 8.37 -1.32 -1.26 -4.91 115.64 117.01 3hfg s THR 122 Ca 0.02 0.69 -0.27 0.00 -1.21 0.00 0.00 61.69 60.91 3hfg s THR 122 Cb 0.03 -3.53 -0.05 0.00 -1.51 0.00 0.00 72.50 67.44 3hfg s THR 122 CO -0.07 -0.90 2.17 0.20 -2.21 0.00 0.00 174.62 173.81 3hfg s ASN 123 N -3.98 5.06 0.21 8.08 0.01 -1.26 -4.96 114.94 118.10 3hfg s ASN 123 Ca 0.57 1.17 0.08 0.00 -0.71 0.00 0.00 52.86 53.97 3hfg s ASN 123 Cb -0.13 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 3hfg s ASN 123 CO 0.54 -2.39 0.05 -0.89 -1.51 0.00 0.00 177.10 172.90 3hfg s THR 124 N 9.88 3.85 0.18 1.60 2.01 -1.26 -5.12 115.64 126.78 3hfg s THR 124 Ca 0.90 -1.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 3hfg s THR 124 Cb -0.21 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 3hfg s THR 124 CO 0.28 -0.22 0.19 -0.94 -0.69 0.00 0.00 174.62 173.24 3hfg s SER 125 N -3.31 0.14 -0.36 3.53 1.04 -1.26 -5.00 113.70 108.48 3hfg s SER 125 Ca 0.30 -1.16 -0.28 0.00 0.48 0.00 0.00 55.95 55.29 3hfg s SER 125 Cb -0.08 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.45 3hfg s SER 125 CO 0.20 -0.86 1.04 -0.76 0.98 0.00 0.00 173.24 173.84 3hfg s LEU 126 N -3.07 3.91 -0.18 2.42 1.02 -1.26 -4.84 118.68 116.69 3hfg s LEU 126 Ca 0.28 0.83 -0.26 0.00 0.02 0.00 0.00 54.13 55.00 3hfg s LEU 126 Cb 0.05 -3.45 0.07 0.00 0.02 0.00 0.00 46.19 42.88 3hfg s LEU 126 CO 0.06 -0.92 0.66 0.20 0.02 0.00 0.00 176.35 176.37 3hfg s ASN 127 N 1.83 -0.67 0.55 2.29 0.02 -1.04 -5.07 114.94 112.85 3hfg s ASN 127 Ca 0.43 1.09 -0.22 0.00 -1.02 0.00 0.00 52.86 53.15 3hfg s ASN 127 Cb -0.11 1.05 -0.05 0.00 0.02 0.00 0.00 41.25 42.16 3hfg s ASN 127 CO 0.19 -0.37 1.37 -0.76 0.02 0.00 0.00 177.10 177.55 3hfg s LEU 128 N -0.23 3.85 -0.17 0.60 1.43 -1.26 -4.25 118.68 118.65 3hfg s LEU 128 Ca -0.04 2.79 -0.22 0.00 -1.03 0.00 0.00 54.13 55.63 3hfg s LEU 128 Cb -0.03 -4.27 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 3hfg s LEU 128 CO 0.04 -1.59 0.67 0.12 0.23 0.00 0.00 176.35 175.82 3hfg s PHE 129 N -1.29 3.42 0.00 0.29 5.36 -1.26 -4.95 117.98 119.54 3hfg s PHE 129 Ca 0.72 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 3hfg s PHE 129 Cb -0.41 -2.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 3hfg s PHE 129 CO 0.48 -0.14 0.00 0.72 -1.46 0.00 0.00 175.22 174.83 3hfg n HIS 130 N 4.85 0.00 -2.06 10.12 8.25 -1.26 -4.98 115.22 130.15 3hfg n HIS 130 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hfg n HIS 130 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 3hfg n HIS 130 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3hfg n ASP 131 N -2.07 0.10 -3.75 0.41 3.85 -1.26 -4.99 116.55 108.84 3hfg n ASP 131 Ca 0.00 -1.92 -0.42 0.00 -0.71 0.00 0.00 54.79 51.74 3hfg n ASP 131 Cb 0.00 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.58 3hfg n ASP 131 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3hfg n ASP 132 N 0.06 4.29 0.17 -1.12 -0.08 -1.26 -4.64 116.55 113.97 3hfg n ASP 132 Ca 0.00 -2.90 0.12 0.00 -1.51 0.00 0.00 54.79 50.51 3hfg n ASP 132 Cb 0.74 -1.61 0.27 0.00 2.34 0.00 0.00 41.12 42.85 3hfg n ASP 132 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3hfg h ILE 133 N 3.91 0.00 -0.18 5.18 6.09 -1.99 -2.62 117.51 127.89 3hfg h ILE 133 Ca 0.54 -0.77 -0.07 0.00 -1.37 0.00 0.00 64.86 63.19 3hfg h ILE 133 Cb 0.63 1.76 -0.00 0.00 0.47 0.00 0.00 36.82 39.68 3hfg h ILE 133 CO 1.83 0.00 -0.15 -0.74 -3.07 0.00 0.00 178.15 176.01 3hfg h HIS 134 N 0.00 0.51 -0.14 2.19 2.76 -2.00 -2.78 115.15 115.69 3hfg h HIS 134 Ca 0.00 -0.14 -0.13 0.00 -2.20 0.00 0.00 60.37 57.90 3hfg h HIS 134 Cb 0.88 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 3hfg h HIS 134 CO 0.00 0.78 -0.47 1.25 -1.30 0.00 0.00 177.93 178.19 3hfg h HIS 135 N 0.09 0.42 -0.34 5.26 -0.00 -1.92 0.52 115.15 119.19 3hfg h HIS 135 Ca 0.03 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.37 60.23 3hfg h HIS 135 Cb 0.68 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 3hfg h HIS 135 CO 0.08 0.76 0.05 0.28 -0.00 0.00 0.00 177.93 179.09 3hfg h VAL 136 N 0.28 1.24 -0.41 5.26 2.07 -1.50 -0.28 116.25 122.91 3hfg h VAL 136 Ca 0.02 -0.85 -0.14 0.00 0.82 0.00 0.00 66.70 66.54 3hfg h VAL 136 Cb 0.93 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3hfg h VAL 136 CO 0.08 0.28 -0.30 -0.09 0.02 0.00 0.00 177.57 177.57 3hfg h ARG 137 N 0.40 0.92 -0.23 1.57 2.43 -1.36 -2.12 114.38 116.00 3hfg h ARG 137 Ca 0.10 -0.45 0.01 0.00 -0.81 0.00 0.00 59.98 58.83 3hfg h ARG 137 Cb 0.37 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3hfg h ARG 137 CO 0.01 1.10 0.14 -0.22 -1.51 0.00 0.00 179.97 179.49 3hfg h LYS 138 N 0.75 0.27 -0.22 0.20 3.64 -0.83 -0.82 116.57 119.56 3hfg h LYS 138 Ca 0.08 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3hfg h LYS 138 Cb 0.88 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 3hfg h LYS 138 CO 0.08 0.18 -0.18 0.77 -2.27 0.00 0.00 179.45 178.03 3hfg h SER 139 N 0.28 -0.57 0.14 4.20 0.02 -0.98 -0.19 113.55 116.45 3hfg h SER 139 Ca 0.09 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3hfg h SER 139 Cb -0.01 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3hfg h SER 139 CO -0.04 -0.22 -0.28 0.24 -1.14 0.00 0.00 176.83 175.40 3hfg h MET 140 N -0.18 -0.49 -0.47 3.45 2.86 -1.13 0.33 114.93 119.29 3hfg h MET 140 Ca 0.13 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.89 3hfg h MET 140 Cb 0.37 0.11 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 3hfg h MET 140 CO -0.33 -0.32 0.05 0.93 1.06 0.00 0.00 176.91 178.30 3hfg h GLU 141 N -0.50 0.16 0.00 1.72 4.39 -0.69 0.21 114.58 119.86 3hfg h GLU 141 Ca 0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3hfg h GLU 141 Cb 0.52 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3hfg h GLU 141 CO -0.15 0.11 -0.21 0.28 -1.16 0.00 0.00 179.01 177.88 3hfg h VAL 142 N 0.17 0.34 0.00 3.13 2.07 -0.95 0.21 116.25 121.22 3hfg h VAL 142 Ca 0.24 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 3hfg h VAL 142 Cb 0.33 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3hfg h VAL 142 CO -0.35 0.12 -0.13 0.78 0.02 0.00 0.00 177.57 178.01 3hfg h ASN 143 N -1.00 0.00 0.00 0.57 2.35 -1.01 -3.35 115.58 113.14 3hfg h ASN 143 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3hfg h ASN 143 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3hfg h ASN 143 CO -0.02 0.13 -0.04 0.33 -1.65 0.00 0.00 177.43 176.18 3hfg n PHE 144 N -3.53 -0.59 0.17 1.19 7.35 -0.06 -4.73 117.46 117.26 3hfg n PHE 144 Ca -0.01 0.10 0.02 0.00 -0.76 0.00 0.00 57.45 56.80 3hfg n PHE 144 Cb 0.27 0.14 0.33 0.00 0.35 0.00 0.00 39.48 40.57 3hfg n PHE 144 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3hfg h LEU 145 N 0.00 0.01 -0.97 -2.13 6.46 -0.61 -1.54 115.31 116.53 3hfg h LEU 145 Ca 0.00 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 3hfg h LEU 145 Cb 0.04 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 3hfg h LEU 145 CO 0.00 0.42 -0.24 0.77 -0.62 0.00 0.00 178.44 178.76 3hfg h SER 146 N 0.01 0.46 -0.62 1.25 4.64 -1.08 -2.66 113.55 115.54 3hfg h SER 146 Ca -0.00 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3hfg h SER 146 Cb 0.72 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.65 3hfg h SER 146 CO 0.05 0.70 0.39 1.88 -0.87 0.00 0.00 176.83 178.98 3hfg h TYR 147 N 0.41 0.73 -0.55 4.77 -1.99 -1.48 -0.25 116.97 118.61 3hfg h TYR 147 Ca 0.06 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 3hfg h TYR 147 Cb 0.65 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 3hfg h TYR 147 CO 0.02 0.43 0.24 0.28 -0.00 0.00 0.00 178.16 179.12 3hfg h VAL 148 N 0.77 1.21 0.39 -2.88 2.07 -1.32 -0.53 116.25 115.96 3hfg h VAL 148 Ca 0.24 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3hfg h VAL 148 Cb -0.01 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3hfg h VAL 148 CO -0.09 0.25 -0.19 0.58 0.02 0.00 0.00 177.57 178.14 3hfg h VAL 149 N 0.74 0.62 -0.62 2.57 2.07 -1.12 -0.63 116.25 119.88 3hfg h VAL 149 Ca 0.18 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.70 3hfg h VAL 149 Cb 0.17 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.51 3hfg h VAL 149 CO -0.02 0.03 -0.10 -0.07 0.02 0.00 0.00 177.57 177.43 3hfg h LEU 150 N -0.59 -0.48 -0.44 2.57 3.38 -0.99 -1.27 115.31 117.49 3hfg h LEU 150 Ca -0.05 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3hfg h LEU 150 Cb 0.44 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3hfg h LEU 150 CO 0.09 -0.18 0.24 0.74 0.09 0.00 0.00 178.44 179.41 3hfg h THR 151 N 0.04 1.00 -0.43 0.22 2.02 -0.85 0.59 112.91 115.50 3hfg h THR 151 Ca 0.31 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.33 3hfg h THR 151 Cb 0.49 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3hfg h THR 151 CO -0.60 0.09 0.28 0.58 0.37 0.00 0.00 175.52 176.23 3hfg h VAL 152 N 0.47 1.11 0.05 3.16 2.07 -0.09 -1.06 116.25 121.96 3hfg h VAL 152 Ca 0.18 -0.21 -0.23 0.00 0.82 0.00 0.00 66.70 67.26 3hfg h VAL 152 Cb 0.06 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3hfg h VAL 152 CO -0.11 0.11 -1.05 0.00 0.02 0.00 0.00 177.57 176.54 3hfg h ALA 153 N 1.73 0.31 0.00 1.67 0.00 -0.42 -3.31 119.26 119.23 3hfg h ALA 153 Ca 0.16 -0.85 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 3hfg h ALA 153 Cb -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hfg h ALA 153 CO -0.03 1.05 -0.59 0.00 0.00 0.00 0.00 179.25 179.67 3hfg h ALA 154 N 0.84 0.73 -0.17 0.00 0.00 -0.47 -3.40 119.26 116.78 3hfg h ALA 154 Ca -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3hfg h ALA 154 Cb 1.77 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3hfg h ALA 154 CO 0.16 0.39 0.08 1.25 0.00 0.00 0.00 179.25 181.13 3hfg h LEU 155 N 0.00 0.12 -0.95 0.00 5.85 -1.30 -0.71 115.31 118.32 3hfg h LEU 155 Ca -0.03 0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.90 3hfg h LEU 155 Cb 1.24 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 3hfg h LEU 155 CO 0.03 0.09 0.53 -0.65 -0.34 0.00 0.00 178.44 178.11 3hfg h PRO 156 N 0.18 0.61 0.06 5.25 0.11 -1.79 0.63 132.00 137.05 3hfg h PRO 156 Ca 0.07 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.90 3hfg h PRO 156 Cb 0.02 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3hfg h PRO 156 CO -0.05 0.41 -1.08 0.52 -0.21 0.00 0.00 178.00 177.58 3hfg h MET 157 N 0.63 0.24 -0.35 1.05 2.86 -1.68 -3.19 114.93 114.50 3hfg h MET 157 Ca 0.57 -0.34 -0.15 0.00 -2.06 0.00 0.00 59.70 57.72 3hfg h MET 157 Cb 0.94 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3hfg h MET 157 CO -0.42 1.11 -0.37 -0.07 1.06 0.00 0.00 176.91 178.22 3hfg h LEU 158 N 0.09 0.86 -1.53 1.22 3.38 -0.37 -2.91 115.31 116.06 3hfg h LEU 158 Ca -0.09 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.52 3hfg h LEU 158 Cb 1.78 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 3hfg h LEU 158 CO 0.17 1.14 0.34 0.11 0.09 0.00 0.00 178.44 180.29 3hfg h LYS 159 N 0.67 0.61 -0.22 1.13 1.57 -0.95 0.17 116.57 119.54 3hfg h LYS 159 Ca 0.06 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 3hfg h LYS 159 Cb 0.93 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3hfg h LYS 159 CO 0.09 0.41 -0.41 1.96 -0.57 0.00 0.00 179.45 180.92 3hfg h GLN 160 N 0.63 0.53 -0.64 3.15 4.20 -1.50 -3.10 115.11 118.37 3hfg h GLN 160 Ca 0.20 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3hfg h GLN 160 Cb 0.03 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3hfg h GLN 160 CO -0.05 0.85 0.00 -1.13 -0.67 0.00 0.00 178.83 177.83 3hfg n SER 161 N -4.02 3.84 -4.27 1.46 3.41 -0.82 -4.95 113.62 108.27 3hfg n SER 161 Ca -0.02 -2.07 -0.30 0.00 -0.26 0.00 0.00 58.87 56.22 3hfg n SER 161 Cb 0.52 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.93 3hfg n SER 161 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hfg n ASN 162 N 1.32 0.75 -2.07 4.04 3.02 0.40 -4.91 115.26 117.80 3hfg n ASN 162 Ca 0.22 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3hfg n ASN 162 Cb 0.62 -1.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.00 3hfg n ASN 162 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hfg n GLY 163 N -2.49 0.27 3.03 7.41 0.00 -0.12 -4.78 105.19 108.52 3hfg n GLY 163 Ca -0.32 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 3hfg n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hfg s SER 164 N -1.00 0.89 -0.22 1.61 0.01 0.17 -2.04 113.70 113.11 3hfg s SER 164 Ca 0.00 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 56.89 3hfg s SER 164 Cb 0.00 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 3hfg s SER 164 CO 0.00 -0.03 0.02 -0.63 0.41 0.00 0.00 173.24 173.01 3hfg s ILE 165 N -0.68 3.99 -0.21 1.44 1.01 0.58 -0.01 121.20 127.32 3hfg s ILE 165 Ca -0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3hfg s ILE 165 Cb -0.06 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 3hfg s ILE 165 CO 0.00 0.39 -0.01 -0.69 0.00 0.00 0.00 174.94 174.63 3hfg s VAL 166 N 1.33 3.74 -0.21 2.92 1.01 0.18 -0.81 120.40 128.56 3hfg s VAL 166 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3hfg s VAL 166 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.55 3hfg s VAL 166 CO 0.01 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.74 3hfg s VAL 167 N 1.20 2.73 -0.21 2.92 1.01 -0.29 0.63 120.40 128.40 3hfg s VAL 167 Ca 0.03 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 3hfg s VAL 167 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3hfg s VAL 167 CO 0.00 0.39 0.63 -0.69 0.00 0.00 0.00 175.10 175.43 3hfg s VAL 168 N 1.36 5.02 0.00 2.92 1.01 -0.54 -1.21 120.40 128.96 3hfg s VAL 168 Ca 0.04 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3hfg s VAL 168 Cb -0.15 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3hfg s VAL 168 CO -0.07 0.10 0.00 -0.24 0.00 0.00 0.00 175.10 174.89 3hfg n SER 169 N 5.15 0.21 -3.54 3.32 2.88 0.26 -4.88 113.62 117.02 3hfg n SER 169 Ca -0.01 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.42 3hfg n SER 169 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 3hfg n SER 169 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3hfg s SER 170 N 1.00 -0.48 0.32 -3.46 0.01 -1.24 -2.77 113.70 107.08 3hfg s SER 170 Ca 0.00 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.13 3hfg s SER 170 Cb 0.00 0.63 0.63 0.00 0.21 0.00 0.00 66.02 67.49 3hfg s SER 170 CO 0.00 -1.06 1.91 -0.07 0.41 0.00 0.00 173.24 174.43 3hfg h LEU 171 N 2.00 0.81 -0.31 2.44 3.38 -1.59 0.09 115.31 122.12 3hfg h LEU 171 Ca -0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hfg h LEU 171 Cb 1.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hfg h LEU 171 CO 0.34 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.37 3hfg n ALA 172 N -2.41 1.28 -0.28 1.53 0.00 -1.26 -0.56 120.51 118.80 3hfg n ALA 172 Ca 0.14 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.72 3hfg n ALA 172 Cb 0.25 -1.16 0.31 0.00 0.00 0.00 0.00 19.45 18.85 3hfg n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfg n GLY 173 N -0.86 2.37 0.00 0.00 0.00 0.01 -4.35 105.19 102.37 3hfg n GLY 173 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3hfg n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hfg n LYS 174 N 1.64 1.53 -4.22 1.61 4.76 0.28 -4.27 118.16 119.49 3hfg n LYS 174 Ca 0.24 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.56 3hfg n LYS 174 Cb 0.62 -0.77 -0.10 0.00 -1.84 0.00 0.00 35.03 32.94 3hfg n LYS 174 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3hfg s VAL 175 N -1.53 0.50 -0.34 -0.18 -7.23 0.13 -5.13 120.40 106.63 3hfg s VAL 175 Ca 0.00 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.03 3hfg s VAL 175 Cb 0.00 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 3hfg s VAL 175 CO 0.00 -0.45 0.53 0.00 -0.31 0.00 0.00 175.10 174.86 3hfg s ALA 176 N -3.77 3.49 0.19 1.32 0.00 -1.26 -4.27 121.76 117.45 3hfg s ALA 176 Ca 0.24 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 51.36 3hfg s ALA 176 Cb 0.07 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 3hfg s ALA 176 CO 0.04 -1.17 -0.12 0.71 0.00 0.00 0.00 175.76 175.22 3hfg s TYR 177 N 2.42 2.56 0.50 0.00 1.51 -1.26 -5.12 117.35 117.96 3hfg s TYR 177 Ca 0.20 -0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 55.90 3hfg s TYR 177 Cb -0.15 -1.25 -0.06 0.00 -0.11 0.00 0.00 41.96 40.39 3hfg s TYR 177 CO 0.13 0.52 0.89 -2.14 -1.11 0.00 0.00 175.55 173.84 3hfg s PRO 178 N -2.84 3.73 0.00 -1.71 0.02 -1.26 -4.22 135.00 128.72 3hfg s PRO 178 Ca 0.24 0.61 0.00 0.00 0.02 0.00 0.00 61.00 61.87 3hfg s PRO 178 Cb -0.08 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.19 3hfg s PRO 178 CO 0.14 -0.26 0.00 -1.33 -0.33 0.00 0.00 177.00 175.23 3hfg n MET 179 N -1.90 -0.31 -1.30 5.54 2.81 -1.26 -4.81 117.12 115.88 3hfg n MET 179 Ca 0.04 0.08 0.03 0.00 -1.81 0.00 0.00 57.70 56.04 3hfg n MET 179 Cb 0.54 -3.30 0.02 0.00 -0.71 0.00 0.00 33.22 29.77 3hfg n MET 179 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3hfg n VAL 180 N -2.76 0.02 -0.00 2.03 0.24 -1.26 -2.50 118.33 114.09 3hfg n VAL 180 Ca 0.00 -0.83 -0.09 0.00 -2.04 0.00 0.00 64.34 61.38 3hfg n VAL 180 Cb 0.08 0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 3hfg n VAL 180 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hfg h ALA 181 N 0.81 -0.00 -0.30 2.33 0.00 -1.87 0.86 119.26 121.08 3hfg h ALA 181 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hfg h ALA 181 Cb 1.80 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 3hfg h ALA 181 CO 0.08 -0.55 0.19 0.00 0.00 0.00 0.00 179.25 178.97 3hfg h ALA 182 N 0.98 0.38 0.31 0.00 0.00 -1.95 0.21 119.26 119.19 3hfg h ALA 182 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hfg h ALA 182 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hfg h ALA 182 CO -0.20 -0.16 -0.15 -0.92 0.00 0.00 0.00 179.25 177.83 3hfg h TYR 183 N 0.40 -0.39 -0.81 0.00 3.20 -1.80 -2.90 116.97 114.67 3hfg h TYR 183 Ca 0.11 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.06 3hfg h TYR 183 Cb -0.04 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3hfg h TYR 183 CO -0.06 -0.19 0.53 1.03 -1.64 0.00 0.00 178.16 177.83 3hfg h SER 184 N -0.49 0.71 -0.73 -2.11 0.87 0.87 -1.99 113.55 110.68 3hfg h SER 184 Ca -0.04 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3hfg h SER 184 Cb 0.37 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 3hfg h SER 184 CO 0.07 0.44 0.47 0.00 -0.53 0.00 0.00 176.83 177.27 3hfg h ALA 185 N 1.58 0.92 -0.36 6.23 0.00 -0.78 -0.14 119.26 126.71 3hfg h ALA 185 Ca 0.37 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 3hfg h ALA 185 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hfg h ALA 185 CO -0.14 0.36 -0.36 0.66 0.00 0.00 0.00 179.25 179.77 3hfg h SER 186 N 0.99 0.94 -0.60 0.00 4.64 -1.19 -1.75 113.55 116.58 3hfg h SER 186 Ca 0.26 -0.47 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 3hfg h SER 186 Cb -0.09 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.71 3hfg h SER 186 CO -0.05 1.22 0.02 0.11 -0.87 0.00 0.00 176.83 177.25 3hfg h LYS 187 N 0.69 1.06 -0.74 4.77 1.79 -1.25 -0.65 116.57 122.24 3hfg h LYS 187 Ca 0.06 -0.32 0.02 0.00 -2.18 0.00 0.00 60.65 58.23 3hfg h LYS 187 Cb 0.95 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.45 3hfg h LYS 187 CO 0.09 1.02 0.48 0.74 -1.08 0.00 0.00 179.45 180.70 3hfg h PHE 188 N 0.97 0.90 -0.70 -1.35 0.04 -1.00 -2.33 116.94 113.47 3hfg h PHE 188 Ca 0.18 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 3hfg h PHE 188 Cb 0.53 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3hfg h PHE 188 CO 0.04 0.54 0.38 0.00 -0.60 0.00 0.00 178.31 178.67 3hfg h ALA 189 N 1.30 1.36 -0.11 2.45 0.00 -0.61 -2.00 119.26 121.65 3hfg h ALA 189 Ca 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hfg h ALA 189 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3hfg h ALA 189 CO -0.09 0.53 0.07 -0.07 0.00 0.00 0.00 179.25 179.69 3hfg h LEU 190 N 0.97 0.14 0.16 0.00 3.38 -0.76 -1.66 115.31 117.54 3hfg h LEU 190 Ca 0.25 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3hfg h LEU 190 Cb 0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3hfg h LEU 190 CO -0.04 0.15 -0.47 -0.78 0.09 0.00 0.00 178.44 177.39 3hfg h ASP 191 N 0.11 -1.39 -0.68 -0.43 1.82 -0.90 -1.47 116.42 113.48 3hfg h ASP 191 Ca 0.04 0.15 0.05 0.00 -0.39 0.00 0.00 57.03 56.88 3hfg h ASP 191 Cb 0.04 0.51 -0.05 0.00 0.68 0.00 0.00 39.33 40.51 3hfg h ASP 191 CO -0.01 -0.54 0.39 1.23 -1.61 0.00 0.00 179.24 178.70 3hfg h GLY 192 N -0.73 0.99 0.54 -0.78 0.00 -1.32 -0.86 103.07 100.91 3hfg h GLY 192 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3hfg h GLY 192 CO -0.25 0.18 -0.17 -2.75 0.00 0.00 0.00 176.54 173.56 3hfg h PHE 193 N 0.72 -0.44 -0.16 5.60 3.04 -1.15 -2.66 116.94 121.90 3hfg h PHE 193 Ca 0.30 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.13 3hfg h PHE 193 Cb 0.15 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 3hfg h PHE 193 CO -0.07 -0.11 -0.36 0.74 -2.02 0.00 0.00 178.31 176.49 3hfg h PHE 194 N -0.94 0.40 -0.67 0.41 -1.00 -1.27 -0.01 116.94 113.86 3hfg h PHE 194 Ca -0.05 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.62 3hfg h PHE 194 Cb 0.53 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 3hfg h PHE 194 CO 0.03 0.66 0.37 0.77 -1.61 0.00 0.00 178.31 178.53 3hfg h SER 195 N 0.30 0.84 -0.21 2.17 0.02 -1.25 0.22 113.55 115.63 3hfg h SER 195 Ca 0.03 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 3hfg h SER 195 Cb 0.77 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3hfg h SER 195 CO 0.06 0.69 -0.24 -1.28 -1.14 0.00 0.00 176.83 174.93 3hfg h SER 196 N 0.92 0.68 -0.46 3.07 0.87 -1.02 -2.00 113.55 115.61 3hfg h SER 196 Ca 0.24 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3hfg h SER 196 Cb 0.04 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3hfg h SER 196 CO -0.04 0.90 -0.05 0.40 -0.53 0.00 0.00 176.83 177.51 3hfg h ILE 197 N 0.59 1.27 -0.22 2.23 1.08 -0.63 -1.80 117.51 120.04 3hfg h ILE 197 Ca 0.08 -1.14 0.05 0.00 -0.39 0.00 0.00 64.86 63.46 3hfg h ILE 197 Cb 0.72 1.08 -0.06 0.00 -3.07 0.00 0.00 36.82 35.49 3hfg h ILE 197 CO 0.06 0.39 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.68 3hfg h ARG 198 N 0.69 -0.13 -0.99 2.37 2.43 -0.27 0.26 114.38 118.73 3hfg h ARG 198 Ca 0.12 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.45 3hfg h ARG 198 Cb 0.58 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.07 3hfg h ARG 198 CO 0.03 -0.09 0.62 0.87 -1.51 0.00 0.00 179.97 179.90 3hfg h LYS 199 N -0.14 0.84 -0.32 0.20 6.56 -1.23 -1.42 116.57 121.06 3hfg h LYS 199 Ca 0.12 -0.05 -0.13 0.00 -1.06 0.00 0.00 60.65 59.53 3hfg h LYS 199 Cb 0.32 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 3hfg h LYS 199 CO -0.30 0.55 -0.34 0.93 -2.06 0.00 0.00 179.45 178.24 3hfg h GLU 200 N 0.86 0.70 -0.15 3.15 5.08 -0.04 -2.47 114.58 121.72 3hfg h GLU 200 Ca 0.52 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3hfg h GLU 200 Cb 0.69 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3hfg h GLU 200 CO -0.30 0.94 -0.22 1.88 -1.00 0.00 0.00 179.01 180.31 3hfg h TYR 201 N 0.59 0.29 0.52 4.33 0.05 0.42 0.25 116.97 123.41 3hfg h TYR 201 Ca 0.06 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 3hfg h TYR 201 Cb 0.85 -0.08 0.01 0.00 1.01 0.00 0.00 36.73 38.52 3hfg h TYR 201 CO 0.04 0.47 -0.25 0.77 -1.05 0.00 0.00 178.16 178.15 3hfg h SER 202 N 0.24 -0.59 -0.28 3.88 0.02 -1.08 0.41 113.55 116.16 3hfg h SER 202 Ca 0.04 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3hfg h SER 202 Cb 0.53 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3hfg h SER 202 CO 0.04 -0.30 0.15 -0.37 -1.14 0.00 0.00 176.83 175.20 3hfg h VAL 203 N -0.86 1.13 0.00 2.27 -1.51 -1.33 -2.32 116.25 113.63 3hfg h VAL 203 Ca -0.07 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3hfg h VAL 203 Cb 0.60 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 3hfg h VAL 203 CO 0.12 0.13 0.00 -0.24 -1.23 0.00 0.00 177.57 176.34 3hfg n SER 204 N -4.83 0.00 -1.88 4.19 2.88 0.88 -4.87 113.62 109.99 3hfg n SER 204 Ca -0.02 0.46 -0.17 0.00 -1.33 0.00 0.00 58.87 57.81 3hfg n SER 204 Cb 0.08 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.05 3hfg n SER 204 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hfg n ARG 205 N -1.48 -1.32 -2.62 -1.46 1.74 -0.02 -4.98 116.66 106.51 3hfg n ARG 205 Ca 0.04 0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 57.51 3hfg n ARG 205 Cb 0.19 -5.23 -0.03 0.00 -1.02 0.00 0.00 32.46 26.37 3hfg n ARG 205 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hfg s VAL 206 N -2.82 4.62 -1.08 1.55 1.01 0.12 -4.97 120.40 118.83 3hfg s VAL 206 Ca 0.00 1.89 -0.02 0.00 0.00 0.00 0.00 61.98 63.85 3hfg s VAL 206 Cb 0.00 -4.21 0.29 0.00 0.00 0.00 0.00 36.38 32.46 3hfg s VAL 206 CO 0.00 0.10 1.89 -3.20 0.00 0.00 0.00 175.10 173.89 3hfg n ASN 207 N 4.30 7.39 -3.91 3.32 5.15 -1.26 -4.52 115.26 125.72 3hfg n ASN 207 Ca 0.08 -3.59 -0.29 0.00 -0.60 0.00 0.00 54.58 50.18 3hfg n ASN 207 Cb 0.49 -1.21 -0.16 0.00 -0.53 0.00 0.00 39.78 38.37 3hfg n ASN 207 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hfg s VAL 208 N -3.76 1.19 0.51 3.44 1.01 -1.26 -4.23 120.40 117.30 3hfg s VAL 208 Ca 0.41 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 3hfg s VAL 208 Cb 0.18 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 3hfg s VAL 208 CO -0.11 0.14 1.17 -0.94 0.00 0.00 0.00 175.10 175.36 3hfg s SER 209 N 1.60 5.85 -0.23 3.32 1.04 -0.87 -4.86 113.70 119.55 3hfg s SER 209 Ca 0.01 2.30 -0.01 0.00 0.48 0.00 0.00 55.95 58.73 3hfg s SER 209 Cb -0.15 -2.60 0.07 0.00 0.10 0.00 0.00 66.02 63.44 3hfg s SER 209 CO -0.08 -1.14 -0.00 -0.63 0.98 0.00 0.00 173.24 172.37 3hfg s ILE 210 N -1.61 1.10 -0.23 -1.02 1.01 -1.26 -0.31 121.20 118.88 3hfg s ILE 210 Ca 0.69 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 3hfg s ILE 210 Cb -0.28 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3hfg s ILE 210 CO 0.33 -0.21 0.02 -0.89 0.00 0.00 0.00 174.94 174.18 3hfg s THR 211 N 1.58 3.90 -0.26 2.92 2.01 0.01 -4.48 115.64 121.32 3hfg s THR 211 Ca -0.02 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 3hfg s THR 211 Cb -0.18 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 3hfg s THR 211 CO -0.09 0.39 0.10 -0.22 -0.69 0.00 0.00 174.62 174.11 3hfg s LEU 212 N 1.46 3.61 -0.27 4.42 2.96 0.27 -1.14 118.68 129.98 3hfg s LEU 212 Ca 0.05 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 3hfg s LEU 212 Cb -0.15 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 3hfg s LEU 212 CO 0.01 -0.04 0.20 0.00 -1.32 0.00 0.00 176.35 175.20 3hfg s VAL 214 N 1.66 5.14 -0.05 0.00 1.01 0.10 0.91 120.40 129.18 3hfg s VAL 214 Ca 0.08 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.24 3hfg s VAL 214 Cb -0.16 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 3hfg s VAL 214 CO 0.10 -0.88 0.34 -0.76 0.00 0.00 0.00 175.10 173.89 3hfg s LEU 215 N 1.34 4.43 0.00 3.92 1.43 -1.12 -2.50 118.68 126.19 3hfg s LEU 215 Ca 0.06 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3hfg s LEU 215 Cb -0.27 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.51 3hfg s LEU 215 CO 0.01 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.51 3hfg n GLY 216 N 2.06 -0.38 3.66 -3.19 0.00 0.20 -1.62 105.19 105.92 3hfg n GLY 216 Ca -0.15 -1.76 -0.49 0.00 0.00 0.00 0.00 46.02 43.63 3hfg n GLY 216 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hfg n LEU 217 N 0.00 3.29 -4.45 0.99 7.94 -1.26 -4.91 117.00 118.60 3hfg n LEU 217 Ca 0.00 0.87 -0.33 0.00 -1.11 0.00 0.00 56.01 55.44 3hfg n LEU 217 Cb 0.00 -1.37 -0.13 0.00 0.53 0.00 0.00 43.42 42.45 3hfg n LEU 217 CO 0.00 -0.17 -0.46 -0.63 -1.11 0.00 0.00 177.39 175.02 3hfg s ILE 218 N 4.69 2.95 0.00 1.96 -1.09 -1.26 -1.18 121.20 127.28 3hfg s ILE 218 Ca 0.95 -0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 58.57 3hfg s ILE 218 Cb -0.69 -2.15 -0.18 0.00 -1.58 0.00 0.00 42.46 37.85 3hfg s ILE 218 CO 0.51 0.59 3.03 -0.90 -1.23 0.00 0.00 174.94 176.93 3hfg n ASP 219 N 2.42 5.00 -4.77 3.58 3.85 -0.16 -4.67 116.55 121.80 3hfg n ASP 219 Ca -0.17 -2.40 -0.32 0.00 -0.71 0.00 0.00 54.79 51.19 3hfg n ASP 219 Cb 0.52 -1.27 0.08 0.00 -1.35 0.00 0.00 41.12 39.10 3hfg n ASP 219 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3hfg s THR 220 N 0.82 3.36 0.17 2.12 -4.23 -1.26 -4.77 115.64 111.85 3hfg s THR 220 Ca 0.46 0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 61.32 3hfg s THR 220 Cb 0.22 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 71.12 3hfg s THR 220 CO 0.00 -0.53 1.76 1.05 -0.54 0.00 0.00 174.62 176.36 3hfg h GLU 221 N -0.79 0.36 -0.21 3.99 9.09 -1.95 -1.41 114.58 123.66 3hfg h GLU 221 Ca -0.44 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 58.93 3hfg h GLU 221 Cb 1.23 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 3hfg h GLU 221 CO 0.52 0.24 0.09 1.15 0.05 0.00 0.00 179.01 181.07 3hfg h THR 222 N 0.38 1.15 -0.00 -1.06 2.02 -1.96 -2.99 112.91 110.44 3hfg h THR 222 Ca 0.21 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3hfg h THR 222 Cb 0.17 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3hfg h THR 222 CO -0.19 0.15 -0.01 0.00 0.37 0.00 0.00 175.52 175.85 3hfg h ALA 223 N 0.95 -0.00 0.00 6.16 0.00 -1.78 -2.92 119.26 121.66 3hfg h ALA 223 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hfg h ALA 223 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hfg h ALA 223 CO -0.01 -0.50 -0.15 0.52 0.00 0.00 0.00 179.25 179.11 3hfg h MET 224 N -0.01 0.00 -0.14 0.00 2.07 -1.28 -1.80 114.93 113.78 3hfg h MET 224 Ca 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.60 3hfg h MET 224 Cb 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.74 3hfg h MET 224 CO -0.01 0.15 -0.03 0.87 1.07 0.00 0.00 176.91 178.96 3hfg h LYS 225 N 0.00 0.27 0.00 1.72 1.57 -1.41 -2.60 116.57 116.12 3hfg h LYS 225 Ca -0.00 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3hfg h LYS 225 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3hfg h LYS 225 CO 0.02 0.56 -0.33 0.00 -0.57 0.00 0.00 179.45 179.13 3hfg h ALA 226 N 0.70 1.04 0.08 3.86 0.00 -1.22 -3.30 119.26 120.42 3hfg h ALA 226 Ca 0.03 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 3hfg h ALA 226 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hfg h ALA 226 CO 0.01 0.41 -1.69 0.28 0.00 0.00 0.00 179.25 178.26 3hfg h VAL 227 N 0.00 0.76 -1.28 0.00 2.07 -1.39 -3.40 116.25 113.00 3hfg h VAL 227 Ca -0.00 -2.29 -0.79 0.00 0.82 0.00 0.00 66.70 64.44 3hfg h VAL 227 Cb 0.82 2.43 0.01 0.00 -1.52 0.00 0.00 31.29 33.03 3hfg h VAL 227 CO 0.04 0.68 0.87 -1.54 0.02 0.00 0.00 177.57 177.64 3hfg n SER 228 N -3.85 1.92 0.00 0.57 3.41 -0.98 -1.01 113.62 113.68 3hfg n SER 228 Ca -0.31 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 3hfg n SER 228 Cb 0.91 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3hfg n SER 228 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hfg n GLY 229 N 4.36 3.04 0.82 5.00 0.00 -1.26 -5.02 105.19 112.12 3hfg n GLY 229 Ca 0.30 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.37 3hfg n GLY 229 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hfg n ILE 230 N -0.42 1.63 0.00 -0.61 -5.35 -0.18 -5.17 119.36 109.25 3hfg n ILE 230 Ca 0.00 -2.64 0.00 0.00 -0.27 0.00 0.00 62.75 59.84 3hfg n ILE 230 Cb 0.00 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 3hfg n ILE 230 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3hfg n HIS 232 N -0.70 0.00 -1.27 4.28 8.25 -1.26 -5.02 115.22 119.49 3hfg n HIS 232 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3hfg n HIS 232 Cb 0.81 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3hfg n HIS 232 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3hfg n MET 233 N 0.00 1.41 -4.30 -0.41 2.81 -1.26 -5.17 117.12 110.20 3hfg n MET 233 Ca 0.00 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 3hfg n MET 233 Cb 0.00 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.34 3hfg n MET 233 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3hfg s GLN 234 N 3.09 1.25 -0.07 0.03 2.00 -1.26 -5.14 119.66 119.56 3hfg s GLN 234 Ca 0.00 -0.24 -0.05 0.00 -2.00 0.00 0.00 55.36 53.07 3hfg s GLN 234 Cb 0.00 -1.15 -0.04 0.00 0.80 0.00 0.00 33.01 32.62 3hfg s GLN 234 CO 0.00 -0.06 0.16 0.00 -0.50 0.00 0.00 175.29 174.89 3hfg s ALA 235 N 0.92 3.90 0.16 1.58 0.00 -1.26 -4.69 121.76 122.37 3hfg s ALA 235 Ca -0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 3hfg s ALA 235 Cb -0.15 -1.92 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 3hfg s ALA 235 CO 0.01 0.68 0.41 0.00 0.00 0.00 0.00 175.76 176.85 3hfg s ALA 236 N -1.16 3.76 0.20 0.00 0.00 -0.32 -4.78 121.76 119.45 3hfg s ALA 236 Ca 0.21 -0.53 -0.32 0.00 0.00 0.00 0.00 51.96 51.31 3hfg s ALA 236 Cb -0.12 -2.17 -0.12 0.00 0.00 0.00 0.00 23.12 20.71 3hfg s ALA 236 CO 0.11 0.63 1.71 -1.25 0.00 0.00 0.00 175.76 176.96 3hfg s PRO 237 N -2.73 4.13 0.58 0.00 0.04 -1.26 -0.99 135.00 134.77 3hfg s PRO 237 Ca 0.42 2.58 0.36 0.00 0.04 0.00 0.00 61.00 64.40 3hfg s PRO 237 Cb -0.12 -3.09 1.72 0.00 0.04 0.00 0.00 34.50 33.04 3hfg s PRO 237 CO 0.24 -0.74 2.12 1.57 0.04 0.00 0.00 177.00 180.24 3hfg h LYS 238 N 6.84 0.00 0.02 4.56 2.10 -1.94 -2.73 116.57 125.42 3hfg h LYS 238 Ca -0.43 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3hfg h LYS 238 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3hfg h LYS 238 CO 0.95 0.03 -0.01 0.93 -2.00 0.00 0.00 179.45 179.36 3hfg h GLU 239 N 0.00 -0.03 -0.82 0.07 3.07 -1.97 -1.05 114.58 113.86 3hfg h GLU 239 Ca -0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3hfg h GLU 239 Cb 0.32 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 3hfg h GLU 239 CO 0.00 0.69 0.54 0.93 -1.40 0.00 0.00 179.01 179.77 3hfg h GLU 240 N -0.93 1.06 -0.19 2.33 3.07 -1.98 -1.78 114.58 116.16 3hfg h GLU 240 Ca -0.00 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3hfg h GLU 240 Cb 0.73 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 3hfg h GLU 240 CO 0.00 0.70 0.05 0.00 -1.40 0.00 0.00 179.01 178.36 3hfg h ALA 242 N 1.13 1.43 0.16 0.00 0.00 -0.72 -2.47 119.26 118.79 3hfg h ALA 242 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hfg h ALA 242 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3hfg h ALA 242 CO -0.10 0.48 -0.08 1.25 0.00 0.00 0.00 179.25 180.80 3hfg h LEU 243 N 0.90 -0.18 -0.63 0.00 5.85 -0.61 -2.84 115.31 117.79 3hfg h LEU 243 Ca 0.23 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.83 3hfg h LEU 243 Cb 0.00 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 40.98 3hfg h LEU 243 CO -0.04 0.17 0.06 -0.33 -0.34 0.00 0.00 178.44 177.95 3hfg h GLU 244 N -0.56 0.16 -0.38 1.25 4.39 -0.64 0.56 114.58 119.36 3hfg h GLU 244 Ca -0.02 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.74 3hfg h GLU 244 Cb 0.43 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 3hfg h GLU 244 CO 0.04 0.11 -0.05 0.82 -1.16 0.00 0.00 179.01 178.76 3hfg h ILE 245 N 0.17 0.66 -0.15 3.13 2.04 -1.47 -0.99 117.51 120.90 3hfg h ILE 245 Ca 0.33 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 66.12 3hfg h ILE 245 Cb 0.54 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3hfg h ILE 245 CO -0.50 0.01 -0.15 0.40 0.00 0.00 0.00 178.15 177.91 3hfg h ILE 246 N 0.04 1.19 -0.06 -0.67 2.04 -0.73 -1.71 117.51 117.63 3hfg h ILE 246 Ca 0.18 -0.86 -0.13 0.00 1.00 0.00 0.00 64.86 65.05 3hfg h ILE 246 Cb 0.27 1.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3hfg h ILE 246 CO -0.36 0.27 -0.48 0.11 0.00 0.00 0.00 178.15 177.70 3hfg h LYS 247 N 0.23 0.42 -1.00 2.37 1.57 -0.51 -0.47 116.57 119.19 3hfg h LYS 247 Ca 0.05 -0.38 0.10 0.00 -1.87 0.00 0.00 60.65 58.54 3hfg h LYS 247 Cb 0.42 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 3hfg h LYS 247 CO 0.03 1.03 0.64 0.78 -0.57 0.00 0.00 179.45 181.35 3hfg h GLY 248 N -0.05 1.58 0.81 3.86 0.00 -1.09 0.18 103.07 108.36 3hfg h GLY 248 Ca -0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3hfg h GLY 248 CO 0.10 0.24 -0.25 -1.33 0.00 0.00 0.00 176.54 175.30 3hfg h GLY 249 N 1.07 -0.73 0.34 4.60 0.00 -1.25 -0.94 103.07 106.17 3hfg h GLY 249 Ca 0.47 0.27 0.10 0.00 0.00 0.00 0.00 47.33 48.17 3hfg h GLY 249 CO -0.22 -0.27 0.24 0.00 0.00 0.00 0.00 176.54 176.29 3hfg h ALA 250 N -0.54 0.83 -0.05 3.60 0.00 -0.74 0.62 119.26 122.98 3hfg h ALA 250 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hfg h ALA 250 Cb 0.61 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hfg h ALA 250 CO 0.12 -0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.45 3hfg n LEU 251 N -5.00 0.53 -3.56 0.00 4.77 0.02 -4.93 117.00 108.83 3hfg n LEU 251 Ca 0.10 -0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.61 3hfg n LEU 251 Cb 0.30 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3hfg n LEU 251 CO 0.21 0.11 0.18 0.54 -1.33 0.00 0.00 177.39 177.10 3hfg n ARG 252 N -0.44 -6.94 -2.36 3.23 1.74 0.21 -2.17 116.66 109.92 3hfg n ARG 252 Ca 0.15 0.79 -0.33 0.00 -0.77 0.00 0.00 57.85 57.69 3hfg n ARG 252 Cb 0.15 -5.78 -0.02 0.00 -1.02 0.00 0.00 32.46 25.78 3hfg n ARG 252 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hfg s GLN 253 N -6.27 3.69 0.03 5.56 -0.21 -0.43 -4.21 119.66 117.82 3hfg s GLN 253 Ca 0.55 1.22 -0.30 0.00 0.02 0.00 0.00 55.36 56.85 3hfg s GLN 253 Cb -0.25 -2.09 -0.17 0.00 1.00 0.00 0.00 33.01 31.50 3hfg s GLN 253 CO 0.68 -0.51 1.33 0.93 -2.12 0.00 0.00 175.29 175.61 3hfg h GLU 254 N 1.08 -0.88 -5.64 2.91 5.08 -1.90 -3.34 114.58 111.89 3hfg h GLU 254 Ca -0.48 0.06 -0.49 0.00 -1.00 0.00 0.00 59.36 57.45 3hfg h GLU 254 Cb 1.21 0.20 -0.24 0.00 0.50 0.00 0.00 28.75 30.42 3hfg h GLU 254 CO 0.59 -0.55 -0.81 -1.21 -1.00 0.00 0.00 179.01 176.03 3hfg s GLU 255 N -5.22 1.06 -0.09 2.33 2.02 -1.26 -0.57 118.70 116.97 3hfg s GLU 255 Ca -0.16 -0.90 0.02 0.00 0.02 0.00 0.00 54.97 53.96 3hfg s GLU 255 Cb 0.02 -1.13 0.01 0.00 0.10 0.00 0.00 34.13 33.13 3hfg s GLU 255 CO 0.52 0.28 -0.15 0.08 0.02 0.00 0.00 175.26 176.01 3hfg s VAL 256 N -0.95 1.42 0.04 2.63 1.01 -0.53 -4.93 120.40 119.08 3hfg s VAL 256 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3hfg s VAL 256 Cb -0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3hfg s VAL 256 CO 0.02 0.42 -0.06 -0.31 0.00 0.00 0.00 175.10 175.17 3hfg s TYR 257 N 0.74 2.87 -0.19 5.22 4.12 -1.26 0.03 117.35 128.87 3hfg s TYR 257 Ca -0.12 -0.06 -0.13 0.00 0.02 0.00 0.00 57.07 56.78 3hfg s TYR 257 Cb -0.16 -1.56 0.06 0.00 -1.52 0.00 0.00 41.96 38.78 3hfg s TYR 257 CO 0.03 0.40 0.48 -0.47 0.02 0.00 0.00 175.55 176.00 3hfg s TYR 258 N -1.09 -0.65 -0.18 2.71 6.14 -1.04 -4.97 117.35 118.27 3hfg s TYR 258 Ca 0.19 1.42 -0.30 0.00 0.64 0.00 0.00 57.07 59.02 3hfg s TYR 258 Cb -0.11 0.29 0.14 0.00 0.42 0.00 0.00 41.96 42.71 3hfg s TYR 258 CO 0.10 -0.34 1.10 0.34 0.64 0.00 0.00 175.55 177.39 3hfg s ASP 259 N 1.05 -0.27 0.16 4.32 -1.08 -1.26 0.62 116.67 120.21 3hfg s ASP 259 Ca -0.06 0.25 -0.28 0.00 -0.52 0.00 0.00 52.55 51.94 3hfg s ASP 259 Cb -0.06 0.23 -0.01 0.00 -1.46 0.00 0.00 42.92 41.62 3hfg s ASP 259 CO -0.09 -0.27 1.57 0.28 0.52 0.00 0.00 175.17 177.17 3hfg h SER 260 N 2.35 -1.56 -3.74 -0.34 0.02 -1.85 -3.39 113.55 105.04 3hfg h SER 260 Ca -0.15 0.24 -0.51 0.00 -0.84 0.00 0.00 61.79 60.52 3hfg h SER 260 Cb 1.17 0.68 0.03 0.00 0.14 0.00 0.00 62.40 64.43 3hfg h SER 260 CO 0.28 -0.36 0.55 -0.55 -1.14 0.00 0.00 176.83 175.62 3hfg s SER 261 N -5.11 7.06 -0.11 3.07 0.15 -1.26 -4.97 113.70 112.53 3hfg s SER 261 Ca -0.14 2.40 -0.27 0.00 0.70 0.00 0.00 55.95 58.64 3hfg s SER 261 Cb 0.12 -2.63 -0.25 0.00 -1.71 0.00 0.00 66.02 61.54 3hfg s SER 261 CO 0.65 -0.33 0.88 0.17 1.20 0.00 0.00 173.24 175.80 3hfg h LEU 262 N 4.04 0.07 -1.69 3.45 -0.00 -2.03 -3.35 115.31 115.80 3hfg h LEU 262 Ca -0.47 -0.90 0.01 0.00 -0.00 0.00 0.00 57.88 56.52 3hfg h LEU 262 Cb 1.22 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.84 3hfg h LEU 262 CO 0.69 0.97 0.22 4.11 -0.00 0.00 0.00 178.44 184.42 3hfg h TRP 263 N -0.82 0.39 -0.30 0.17 5.08 -1.95 -1.60 115.95 116.93 3hfg h TRP 263 Ca -0.02 0.01 0.07 0.00 1.08 0.00 0.00 58.89 60.03 3hfg h TRP 263 Cb 0.99 -0.13 -0.08 0.00 -3.00 0.00 0.00 29.16 26.94 3hfg h TRP 263 CO 0.24 0.24 -0.34 1.15 -1.28 0.00 0.00 178.44 178.45 3hfg h THR 264 N 0.42 0.23 -0.62 0.12 2.02 -1.97 0.07 112.91 113.19 3hfg h THR 264 Ca 0.12 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.48 3hfg h THR 264 Cb -0.01 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 3hfg h THR 264 CO -0.03 0.00 0.74 0.71 0.37 0.00 0.00 175.52 177.31 3hfg h THR 265 N -0.32 0.20 0.00 3.16 1.35 -1.42 -0.55 112.91 115.33 3hfg h THR 265 Ca 0.14 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.89 3hfg h THR 265 Cb 0.55 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 3hfg h THR 265 CO -0.47 0.00 -0.50 -0.07 -0.25 0.00 0.00 175.52 174.23 3hfg h LEU 266 N 0.00 0.00 0.00 3.87 3.38 -1.03 -3.17 115.31 118.36 3hfg h LEU 266 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3hfg h LEU 266 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3hfg h LEU 266 CO -0.00 0.50 -0.14 0.18 0.09 0.00 0.00 178.44 179.06 3hfg n LEU 267 N -3.38 0.48 0.03 1.67 4.77 -0.21 -4.10 117.00 116.26 3hfg n LEU 267 Ca 0.01 0.44 -0.20 0.00 -0.03 0.00 0.00 56.01 56.23 3hfg n LEU 267 Cb 0.66 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 3hfg n LEU 267 CO 0.39 -0.07 0.10 0.40 -1.33 0.00 0.00 177.39 176.89 3hfg h ILE 268 N 0.00 1.29 -3.98 -0.08 2.04 -1.64 -3.44 117.51 111.70 3hfg h ILE 268 Ca 0.00 -2.21 -0.55 0.00 1.00 0.00 0.00 64.86 63.10 3hfg h ILE 268 Cb 0.63 2.36 0.13 0.00 -0.74 0.00 0.00 36.82 39.20 3hfg h ILE 268 CO 0.00 0.68 0.67 -1.14 0.00 0.00 0.00 178.15 178.36 3hfg n ARG 269 N -3.88 2.08 -3.85 2.37 0.63 -1.26 -4.99 116.66 107.75 3hfg n ARG 269 Ca -0.11 0.75 -0.30 0.00 -0.92 0.00 0.00 57.85 57.27 3hfg n ARG 269 Cb 0.86 -2.61 -0.14 0.00 0.45 0.00 0.00 32.46 31.02 3hfg n ARG 269 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3hfg s ASN 270 N -0.60 4.20 0.30 6.15 3.84 -1.26 -4.98 114.94 122.59 3hfg s ASN 270 Ca 0.64 -2.32 -0.02 0.00 0.21 0.00 0.00 52.86 51.38 3hfg s ASN 270 Cb -0.44 -1.29 0.46 0.00 -0.55 0.00 0.00 41.25 39.43 3hfg s ASN 270 CO 0.55 -0.33 1.96 -0.65 -2.79 0.00 0.00 177.10 175.84 3hfg h PRO 271 N 7.28 1.07 -0.76 0.43 0.11 -1.98 -2.26 132.00 135.89 3hfg h PRO 271 Ca -0.06 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3hfg h PRO 271 Cb 0.97 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.80 3hfg h PRO 271 CO 0.53 0.71 0.45 0.77 -0.21 0.00 0.00 178.00 180.25 3hfg h SER 272 N 1.10 0.92 -0.29 -2.05 0.02 -2.00 -0.69 113.55 110.57 3hfg h SER 272 Ca 0.31 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3hfg h SER 272 Cb -0.08 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3hfg h SER 272 CO -0.08 0.73 0.15 -0.09 -1.14 0.00 0.00 176.83 176.40 3hfg h ARG 273 N 1.04 0.44 -0.39 3.45 2.43 -1.85 -2.21 114.38 117.30 3hfg h ARG 273 Ca 0.27 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3hfg h ARG 273 Cb -0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3hfg h ARG 273 CO -0.05 0.35 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.40 3hfg h LYS 274 N 0.45 0.70 0.02 0.20 3.64 -0.75 -2.63 116.57 118.20 3hfg h LYS 274 Ca 0.11 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3hfg h LYS 274 Cb 0.05 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3hfg h LYS 274 CO -0.02 0.81 -0.01 0.82 -2.27 0.00 0.00 179.45 178.78 3hfg h ILE 275 N 0.63 1.44 -0.45 2.00 2.04 -0.89 -3.18 117.51 119.10 3hfg h ILE 275 Ca 0.11 -1.56 0.13 0.00 1.00 0.00 0.00 64.86 64.53 3hfg h ILE 275 Cb 0.60 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 3hfg h ILE 275 CO 0.04 0.39 0.33 -0.07 0.00 0.00 0.00 178.15 178.84 3hfg h LEU 276 N -0.73 0.00 -0.96 1.44 3.38 -1.42 0.26 115.31 117.28 3hfg h LEU 276 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3hfg h LEU 276 Cb 0.67 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3hfg h LEU 276 CO 0.01 0.00 -0.40 -0.33 0.09 0.00 0.00 178.44 177.81 3hfg h GLU 277 N 0.01 0.00 0.14 1.13 5.08 -1.48 -3.26 114.58 116.20 3hfg h GLU 277 Ca 0.21 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.24 3hfg h GLU 277 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hfg h GLU 277 CO -0.00 0.40 -1.78 0.35 -1.00 0.00 0.00 179.01 176.98 3hfg h PHE 278 N 0.00 0.53 0.00 4.33 -0.00 -0.55 -3.31 116.94 117.93 3hfg h PHE 278 Ca -0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.97 57.58 3hfg h PHE 278 Cb 0.89 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.82 3hfg h PHE 278 CO 0.00 1.70 0.13 1.28 -0.00 0.00 0.00 178.31 181.42 3hfg n LEU 279 N -3.65 0.00 -0.05 0.59 4.77 -0.21 -1.01 117.00 117.44 3hfg n LEU 279 Ca -0.28 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3hfg n LEU 279 Cb 1.01 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.81 3hfg n LEU 279 CO 0.44 -0.30 0.34 -1.22 -1.33 0.00 0.00 177.39 175.32 3hfg n TYR 280 N -1.28 0.00 0.02 -1.77 4.01 -1.25 -4.85 117.16 112.04 3hfg n TYR 280 Ca 0.00 -0.19 -0.01 0.00 -0.16 0.00 0.00 57.90 57.54 3hfg n TYR 280 Cb 0.13 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 3hfg n TYR 280 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hfg h SER 281 N 0.00 -0.06 0.00 7.72 0.87 -1.16 -3.52 113.55 117.41 3hfg h SER 281 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hfg h SER 281 Cb 0.89 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 3hfg h SER 281 CO 0.00 -0.01 0.00 0.35 -0.53 0.00 0.00 176.83 176.64