#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfg s PHE 27 N 0.00 3.12 -0.23 -0.32 5.36 -1.26 -5.05 117.98 119.60 3hfg s PHE 27 Ca 0.00 1.58 -0.12 0.00 -0.96 0.00 0.00 56.93 57.43 3hfg s PHE 27 Cb 0.00 -3.33 0.08 0.00 -0.34 0.00 0.00 43.02 39.42 3hfg s PHE 27 CO 0.00 -1.15 0.55 -0.98 -1.46 0.00 0.00 175.22 172.17 3hfg s ARG 28 N -2.33 0.53 0.60 10.12 1.70 -1.26 -5.05 118.95 123.27 3hfg s ARG 28 Ca 0.57 1.05 0.28 0.00 -0.47 0.00 0.00 55.73 57.15 3hfg s ARG 28 Cb -0.29 0.14 1.29 0.00 -0.57 0.00 0.00 34.95 35.52 3hfg s ARG 28 CO 0.36 -0.17 1.69 -1.35 -1.08 0.00 0.00 175.30 174.75 3hfg h PRO 29 N 7.23 0.00 0.00 3.89 0.11 -1.98 0.13 132.00 141.38 3hfg h PRO 29 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3hfg h PRO 29 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hfg h PRO 29 CO 0.21 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.39 3hfg n GLU 30 N -3.48 0.21 0.17 1.05 4.71 -1.26 -2.23 120.64 119.81 3hfg n GLU 30 Ca 0.12 0.12 0.03 0.00 -0.01 0.00 0.00 57.16 57.43 3hfg n GLU 30 Cb 0.94 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 30.14 3hfg n GLU 30 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 3hfg h MET 31 N 0.00 0.00 0.00 3.49 2.86 -1.10 -3.05 114.93 117.13 3hfg h MET 31 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hfg h MET 31 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3hfg h MET 31 CO 0.00 0.45 -0.79 1.28 1.06 0.00 0.00 176.91 178.92 3hfg n LEU 32 N -3.59 0.75 -4.42 1.22 7.99 -0.95 -4.83 117.00 113.19 3hfg n LEU 32 Ca -0.00 -0.25 -0.50 0.00 -0.01 0.00 0.00 56.01 55.24 3hfg n LEU 32 Cb 0.55 -0.12 -0.09 0.00 -0.11 0.00 0.00 43.42 43.66 3hfg n LEU 32 CO 0.38 0.18 1.86 1.67 -1.51 0.00 0.00 177.39 179.97 3hfg n GLN 33 N -1.53 0.73 -1.33 3.23 7.27 -1.15 0.61 117.38 125.20 3hfg n GLN 33 Ca 0.05 0.17 -0.04 0.00 0.07 0.00 0.00 57.00 57.25 3hfg n GLN 33 Cb 0.34 -2.23 -0.01 0.00 2.41 0.00 0.00 30.24 30.74 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 6.70 0.58 3.71 1.69 0.00 -0.62 -4.96 105.19 112.29 3hfg n GLY 34 Ca 0.47 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.76 4.32 -0.37 1.61 -0.14 0.20 -4.74 119.74 117.87 3hfg s LYS 35 Ca 0.00 0.46 -0.29 0.00 -1.36 0.00 0.00 55.97 54.79 3hfg s LYS 35 Cb 0.00 -3.45 0.02 0.00 -1.68 0.00 0.00 37.83 32.72 3hfg s LYS 35 CO 0.00 0.11 1.07 0.15 -0.76 0.00 0.00 175.35 175.92 3hfg s LYS 36 N 0.78 3.95 -0.04 1.68 1.02 -1.26 -0.91 119.74 124.95 3hfg s LYS 36 Ca 0.26 0.88 0.04 0.00 0.02 0.00 0.00 55.97 57.17 3hfg s LYS 36 Cb -0.15 -3.79 -0.00 0.00 -0.52 0.00 0.00 37.83 33.37 3hfg s LYS 36 CO 0.10 -1.04 -0.15 0.08 -0.92 0.00 0.00 175.35 173.43 3hfg s VAL 37 N 3.85 1.27 -0.15 3.17 1.01 0.01 0.23 120.40 129.77 3hfg s VAL 37 Ca 0.45 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 3hfg s VAL 37 Cb -0.11 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3hfg s VAL 37 CO 0.20 0.37 0.05 -0.63 0.00 0.00 0.00 175.10 175.09 3hfg s ILE 38 N 0.14 4.70 -0.14 2.22 1.01 -0.52 -1.44 121.20 127.17 3hfg s ILE 38 Ca -0.05 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.54 3hfg s ILE 38 Cb -0.11 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.29 3hfg s ILE 38 CO 0.02 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.61 3hfg s VAL 39 N -0.04 1.72 0.38 2.92 1.01 -1.01 -0.24 120.40 125.14 3hfg s VAL 39 Ca 0.06 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3hfg s VAL 39 Cb -0.12 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3hfg s VAL 39 CO 0.01 0.48 0.55 0.42 0.00 0.00 0.00 175.10 176.57 3hfg s THR 40 N 1.20 4.19 -1.48 3.92 -4.23 -0.59 -2.85 115.64 115.79 3hfg s THR 40 Ca -0.00 -0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.72 3hfg s THR 40 Cb -0.14 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.23 3hfg s THR 40 CO -0.07 -0.26 0.41 0.61 -0.54 0.00 0.00 174.62 174.76 3hfg n GLY 41 N -1.81 -0.24 1.40 3.99 0.00 -0.86 -3.96 105.19 103.71 3hfg n GLY 41 Ca -0.00 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.43 2.67 0.18 4.61 0.00 -0.65 -3.73 120.51 119.16 3hfg n ALA 42 Ca -0.25 -1.35 0.11 0.00 0.00 0.00 0.00 53.44 51.95 3hfg n ALA 42 Cb 0.66 -0.98 0.11 0.00 0.00 0.00 0.00 19.45 19.24 3hfg n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hfg h SER 43 N 4.06 0.00 -2.66 0.00 4.64 -1.89 -3.11 113.55 114.60 3hfg h SER 43 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3hfg h SER 43 Cb 1.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 3hfg h SER 43 CO 0.09 0.04 -0.10 0.29 -0.87 0.00 0.00 176.83 176.28 3hfg n LYS 44 N -2.99 0.20 0.00 4.77 5.02 -1.26 -4.81 118.16 119.09 3hfg n LYS 44 Ca 0.03 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 3hfg n LYS 44 Cb 0.55 0.93 0.00 0.00 -0.02 0.00 0.00 35.03 36.50 3hfg n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hfg n GLY 45 N -0.21 1.57 0.18 0.72 0.00 -1.26 -0.28 105.19 105.91 3hfg n GLY 45 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 1.36 -0.12 -0.61 2.04 -1.89 -2.32 117.51 115.98 3hfg h ILE 46 Ca 0.00 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.05 3hfg h ILE 46 Cb 0.00 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3hfg h ILE 46 CO 0.00 0.55 -0.06 1.23 0.00 0.00 0.00 178.15 179.87 3hfg h GLY 47 N 1.36 0.04 0.45 5.37 0.00 -1.59 0.39 103.07 109.09 3hfg h GLY 47 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.49 3hfg h GLY 47 CO 0.09 -0.08 0.20 -0.09 0.00 0.00 0.00 176.54 176.66 3hfg h ARG 48 N -0.06 0.37 -0.41 4.80 2.43 -0.38 -2.12 114.38 119.01 3hfg h ARG 48 Ca 0.07 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3hfg h ARG 48 Cb 0.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3hfg h ARG 48 CO -0.15 0.24 -0.06 0.93 -1.51 0.00 0.00 179.97 179.42 3hfg h GLU 49 N 0.38 0.70 -0.34 0.20 4.39 -0.92 -2.56 114.58 116.42 3hfg h GLU 49 Ca 0.27 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 3hfg h GLU 49 Cb 0.32 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3hfg h GLU 49 CO -0.28 0.76 -0.04 0.52 -1.16 0.00 0.00 179.01 178.80 3hfg h MET 50 N 0.65 0.64 -0.48 2.33 2.86 -0.50 -1.91 114.93 118.52 3hfg h MET 50 Ca 0.12 -0.22 0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3hfg h MET 50 Cb 0.49 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 3hfg h MET 50 CO 0.03 0.78 0.09 0.00 1.06 0.00 0.00 176.91 178.87 3hfg h ALA 51 N 0.83 0.53 -0.72 6.32 0.00 -1.24 0.75 119.26 125.74 3hfg h ALA 51 Ca 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hfg h ALA 51 Cb 0.52 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3hfg h ALA 51 CO 0.03 -0.31 0.41 1.88 0.00 0.00 0.00 179.25 181.26 3hfg h TYR 52 N 0.23 0.96 -0.20 0.00 0.05 -1.32 0.80 116.97 117.49 3hfg h TYR 52 Ca 0.24 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 3hfg h TYR 52 Cb 0.31 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3hfg h TYR 52 CO -0.22 0.66 0.11 0.45 -1.05 0.00 0.00 178.16 178.11 3hfg h HIS 53 N 0.98 0.27 0.00 4.88 3.86 -0.76 -2.06 115.15 122.33 3hfg h HIS 53 Ca 0.25 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 3hfg h HIS 53 Cb 0.00 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3hfg h HIS 53 CO -0.01 0.25 -0.07 -0.07 0.86 0.00 0.00 177.93 178.90 3hfg h LEU 54 N 0.21 0.00 0.00 2.43 3.38 -0.53 -2.43 115.31 118.38 3hfg h LEU 54 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3hfg h LEU 54 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hfg h LEU 54 CO -0.01 0.07 -0.24 0.00 0.09 0.00 0.00 178.44 178.35 3hfg h ALA 55 N 1.93 0.85 0.00 1.53 0.00 -0.29 -0.89 119.26 122.39 3hfg h ALA 55 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3hfg h ALA 55 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hfg h ALA 55 CO 0.01 0.28 -0.55 0.87 0.00 0.00 0.00 179.25 179.86 3hfg h LYS 56 N 0.00 0.00 -0.09 0.00 1.57 -0.90 -1.41 116.57 115.73 3hfg h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hfg h LYS 56 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3hfg h LYS 56 CO 0.03 0.38 0.00 -1.33 -0.57 0.00 0.00 179.45 177.96 3hfg n MET 57 N -3.15 1.70 -2.98 3.15 2.81 -1.07 -4.92 117.12 112.66 3hfg n MET 57 Ca 0.01 -1.03 -0.15 0.00 -1.81 0.00 0.00 57.70 54.72 3hfg n MET 57 Cb 0.71 -1.44 0.04 0.00 -0.71 0.00 0.00 33.22 31.82 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 1.15 -0.04 3.85 3.03 0.00 -1.09 -3.41 105.19 108.68 3hfg n GLY 58 Ca 0.18 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.08 2.93 -0.06 4.61 0.00 -0.36 -1.60 121.76 124.20 3hfg s ALA 59 Ca 0.29 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.01 3hfg s ALA 59 Cb -0.13 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3hfg s ALA 59 CO 0.36 -0.86 0.81 -1.01 0.00 0.00 0.00 175.76 175.06 3hfg s HIS 60 N -3.06 3.57 -0.03 0.00 3.76 -0.09 -1.28 115.29 118.16 3hfg s HIS 60 Ca 0.57 1.39 0.02 0.00 -0.15 0.00 0.00 55.06 56.89 3hfg s HIS 60 Cb -0.12 -2.94 0.01 0.00 1.11 0.00 0.00 32.58 30.64 3hfg s HIS 60 CO 0.52 0.00 -0.09 0.08 -0.85 0.00 0.00 174.74 174.40 3hfg s VAL 61 N 1.10 0.80 -0.12 -0.90 1.01 -0.50 -0.81 120.40 120.98 3hfg s VAL 61 Ca 0.42 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 3hfg s VAL 61 Cb -0.18 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3hfg s VAL 61 CO 0.20 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 174.77 3hfg s VAL 62 N 0.33 1.20 0.35 2.92 1.01 -0.52 -2.43 120.40 123.26 3hfg s VAL 62 Ca -0.05 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3hfg s VAL 62 Cb -0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3hfg s VAL 62 CO 0.01 0.40 0.23 0.68 0.00 0.00 0.00 175.10 176.42 3hfg s VAL 63 N 1.61 3.13 0.13 2.92 -7.23 -0.33 -2.40 120.40 118.23 3hfg s VAL 63 Ca 0.04 -1.53 -0.25 0.00 -1.81 0.00 0.00 61.98 58.44 3hfg s VAL 63 Cb -0.13 -3.06 0.07 0.00 0.56 0.00 0.00 36.38 33.82 3hfg s VAL 63 CO -0.09 -0.15 0.73 0.28 -0.31 0.00 0.00 175.10 175.57 3hfg s THR 64 N -2.40 0.00 -2.43 5.32 -1.32 -1.13 -2.47 115.64 111.21 3hfg s THR 64 Ca 0.40 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 3hfg s THR 64 Cb -0.03 -1.24 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 3hfg s THR 64 CO 0.25 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.66 3hfg n ALA 65 N -0.36 0.00 -0.04 11.08 0.00 -1.26 -1.64 120.51 128.29 3hfg n ALA 65 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 3hfg n ALA 65 Cb 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.93 3hfg n ALA 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hfg n ARG 66 N 0.00 0.67 -3.04 0.00 1.74 -1.21 -0.93 116.66 113.89 3hfg n ARG 66 Ca 0.00 0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 3hfg n ARG 66 Cb 0.00 -1.70 -0.06 0.00 -1.02 0.00 0.00 32.46 29.68 3hfg n ARG 66 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3hfg s SER 67 N -6.11 6.42 0.12 0.55 0.01 -1.26 -4.48 113.70 108.95 3hfg s SER 67 Ca -0.10 0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.09 3hfg s SER 67 Cb 0.07 -2.36 -0.11 0.00 0.21 0.00 0.00 66.02 63.83 3hfg s SER 67 CO 0.80 -0.76 1.30 0.07 0.41 0.00 0.00 173.24 175.06 3hfg h LYS 68 N 8.71 0.54 -0.44 12.44 2.10 -1.97 -1.53 116.57 136.43 3hfg h LYS 68 Ca -0.25 -0.54 0.09 0.00 -2.00 0.00 0.00 60.65 57.95 3hfg h LYS 68 Cb 1.10 0.14 -0.08 0.00 -0.90 0.00 0.00 32.23 32.48 3hfg h LYS 68 CO 0.90 1.16 -0.12 0.93 -2.00 0.00 0.00 179.45 180.32 3hfg h GLU 69 N 0.33 -0.02 0.05 0.07 3.07 -2.00 0.16 114.58 116.24 3hfg h GLU 69 Ca -0.08 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.54 3hfg h GLU 69 Cb 1.54 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.45 3hfg h GLU 69 CO 0.17 -0.01 -1.04 1.79 -1.40 0.00 0.00 179.01 178.51 3hfg h THR 70 N -0.02 1.48 0.00 1.13 1.35 -1.95 -3.18 112.91 111.72 3hfg h THR 70 Ca 0.21 -2.77 -0.03 0.00 -0.55 0.00 0.00 66.41 63.28 3hfg h THR 70 Cb 0.34 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3hfg h THR 70 CO -0.46 0.81 -0.13 -0.07 -0.25 0.00 0.00 175.52 175.43 3hfg h LEU 71 N 0.13 0.00 -0.10 3.87 3.38 -0.59 -1.29 115.31 120.71 3hfg h LEU 71 Ca -0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3hfg h LEU 71 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 3hfg h LEU 71 CO 0.17 0.13 -0.23 1.56 0.09 0.00 0.00 178.44 180.15 3hfg h GLN 72 N 0.00 0.33 -0.97 1.13 4.20 -0.69 -1.10 115.11 118.01 3hfg h GLN 72 Ca -0.00 -0.22 0.10 0.00 0.06 0.00 0.00 58.65 58.58 3hfg h GLN 72 Cb 0.27 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 3hfg h GLN 72 CO 0.02 0.83 0.61 -0.22 -0.67 0.00 0.00 178.83 179.39 3hfg h LYS 73 N -0.12 0.98 -0.40 1.46 3.64 -1.39 -1.45 116.57 119.28 3hfg h LYS 73 Ca -0.00 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 3hfg h LYS 73 Cb 0.83 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3hfg h LYS 73 CO 0.05 0.65 -0.31 0.28 -2.27 0.00 0.00 179.45 177.85 3hfg h VAL 74 N 1.01 1.27 -0.41 2.00 2.07 -1.15 -2.75 116.25 118.30 3hfg h VAL 74 Ca 0.46 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 66.38 3hfg h VAL 74 Cb 0.37 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3hfg h VAL 74 CO -0.23 0.50 -0.25 0.58 0.02 0.00 0.00 177.57 178.18 3hfg h VAL 75 N 0.76 1.27 -0.07 2.57 2.07 -0.42 -1.83 116.25 120.60 3hfg h VAL 75 Ca 0.08 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 3hfg h VAL 75 Cb 0.88 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3hfg h VAL 75 CO 0.08 0.47 -0.02 0.77 0.02 0.00 0.00 177.57 178.88 3hfg h SER 76 N 0.73 0.14 -0.91 0.57 4.64 -1.33 -3.04 113.55 114.36 3hfg h SER 76 Ca 0.09 -0.39 0.08 0.00 -0.47 0.00 0.00 61.79 61.10 3hfg h SER 76 Cb 0.80 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.78 3hfg h SER 76 CO 0.07 0.50 0.59 -0.74 -0.87 0.00 0.00 176.83 176.38 3hfg h HIS 77 N -0.21 1.03 -0.59 4.77 6.17 -1.44 -1.11 115.15 123.76 3hfg h HIS 77 Ca 0.02 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.13 3hfg h HIS 77 Cb 0.44 -0.34 -0.03 0.00 2.52 0.00 0.00 27.41 30.01 3hfg h HIS 77 CO 0.06 0.51 0.39 0.00 0.71 0.00 0.00 177.93 179.60 3hfg h LEU 79 N 0.80 0.70 -1.68 0.00 3.38 -1.11 -1.64 115.31 115.76 3hfg h LEU 79 Ca 0.22 -0.67 0.13 0.00 0.09 0.00 0.00 57.88 57.65 3hfg h LEU 79 Cb -0.09 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3hfg h LEU 79 CO -0.05 1.26 0.45 -0.33 0.09 0.00 0.00 178.44 179.87 3hfg h GLU 80 N 0.20 0.32 0.00 1.13 5.08 -1.14 -1.92 114.58 118.25 3hfg h GLU 80 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hfg h GLU 80 Cb 1.28 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hfg h GLU 80 CO 0.13 0.21 0.00 -0.07 -1.00 0.00 0.00 179.01 178.28 3hfg h LEU 81 N 0.33 0.00 0.00 1.33 3.38 -1.08 -3.47 115.31 115.80 3hfg h LEU 81 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3hfg h LEU 81 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hfg h LEU 81 CO -0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.06 3hfg n GLY 82 N 1.21 1.97 3.73 0.83 0.00 -0.72 -4.10 105.19 108.11 3hfg n GLY 82 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hfg n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfg s ALA 83 N -2.00 3.51 0.45 4.61 0.00 -0.54 -3.58 121.76 124.21 3hfg s ALA 83 Ca 0.00 1.06 0.18 0.00 0.00 0.00 0.00 51.96 53.20 3hfg s ALA 83 Cb 0.00 -3.48 1.15 0.00 0.00 0.00 0.00 23.12 20.79 3hfg s ALA 83 CO 0.00 -0.51 1.94 0.00 0.00 0.00 0.00 175.76 177.18 3hfg h ALA 84 N 5.76 2.23 -1.64 0.00 0.00 -1.31 -3.44 119.26 120.85 3hfg h ALA 84 Ca -0.44 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.65 3hfg h ALA 84 Cb 1.21 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 3hfg h ALA 84 CO 0.79 -0.42 0.70 -1.54 0.00 0.00 0.00 179.25 178.78 3hfg s SER 85 N -6.00 -0.22 -0.26 0.00 1.04 -1.25 -4.95 113.70 102.05 3hfg s SER 85 Ca -0.07 0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.36 3hfg s SER 85 Cb 0.21 0.22 0.13 0.00 0.10 0.00 0.00 66.02 66.67 3hfg s SER 85 CO 0.76 -0.32 0.55 0.00 0.98 0.00 0.00 173.24 175.21 3hfg s ALA 86 N -2.20 -1.74 0.04 5.32 0.00 -1.25 -1.42 121.76 120.51 3hfg s ALA 86 Ca 0.06 1.92 -0.03 0.00 0.00 0.00 0.00 51.96 53.91 3hfg s ALA 86 Cb -0.01 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 3hfg s ALA 86 CO -0.05 -0.95 0.04 -1.01 0.00 0.00 0.00 175.76 173.79 3hfg s HIS 87 N 2.78 0.31 0.18 0.00 3.76 -1.02 -4.92 115.29 116.38 3hfg s HIS 87 Ca 0.00 -0.69 0.11 0.00 -0.15 0.00 0.00 55.06 54.33 3hfg s HIS 87 Cb -0.13 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.30 3hfg s HIS 87 CO -0.17 -0.35 -0.24 1.52 -0.85 0.00 0.00 174.74 174.65 3hfg s TYR 88 N -2.93 2.25 -0.06 1.40 -0.85 -1.26 -1.19 117.35 114.71 3hfg s TYR 88 Ca -0.02 -0.37 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 3hfg s TYR 88 Cb 0.01 -1.13 0.02 0.00 0.38 0.00 0.00 41.96 41.24 3hfg s TYR 88 CO -0.06 0.46 -0.04 0.42 -1.52 0.00 0.00 175.55 174.80 3hfg s ILE 89 N -1.61 0.57 -0.15 -3.49 1.01 -1.03 -4.96 121.20 111.54 3hfg s ILE 89 Ca 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 3hfg s ILE 89 Cb -0.08 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 3hfg s ILE 89 CO 0.09 0.25 0.02 0.00 0.00 0.00 0.00 174.94 175.30 3hfg s ALA 90 N 1.18 3.29 -0.05 9.38 0.00 -1.26 -4.05 121.76 130.25 3hfg s ALA 90 Ca -0.07 -0.77 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 3hfg s ALA 90 Cb -0.14 -1.71 0.13 0.00 0.00 0.00 0.00 23.12 21.40 3hfg s ALA 90 CO -0.01 0.32 1.34 0.20 0.00 0.00 0.00 175.76 177.60 3hfg s GLY 91 N -0.02 -0.44 -0.19 0.00 0.00 -0.10 -5.00 107.32 101.56 3hfg s GLY 91 Ca 0.04 0.80 -0.12 0.00 0.00 0.00 0.00 44.72 45.44 3hfg s GLY 91 CO 0.02 0.15 0.23 -1.08 0.00 0.00 0.00 173.10 172.41 3hfg s THR 92 N -2.29 5.34 -2.00 0.90 -1.32 -1.26 -3.33 115.64 111.67 3hfg s THR 92 Ca 0.14 0.40 0.16 0.00 -1.21 0.00 0.00 61.69 61.18 3hfg s THR 92 Cb 0.06 -3.57 0.46 0.00 -1.51 0.00 0.00 72.50 67.93 3hfg s THR 92 CO -0.05 0.38 1.39 0.23 -2.21 0.00 0.00 174.62 174.36 3hfg n MET 93 N 3.76 0.62 0.20 7.08 0.00 -1.26 -1.48 117.12 126.04 3hfg n MET 93 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 57.70 57.71 3hfg n MET 93 Cb 0.52 -1.40 0.64 0.00 0.00 0.00 0.00 33.22 32.97 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 -4.30 0.03 5.08 -1.92 -3.40 114.58 110.07 3hfg h GLU 94 Ca 0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 3hfg h GLU 94 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 3hfg h GLU 94 CO 0.00 0.00 -0.36 0.34 -1.00 0.00 0.00 179.01 177.99 3hfg s ASP 95 N -4.74 5.91 0.52 1.42 -1.08 -0.55 -4.93 116.67 113.22 3hfg s ASP 95 Ca 0.01 -1.61 0.29 0.00 -0.52 0.00 0.00 52.55 50.72 3hfg s ASP 95 Cb 0.09 -2.09 1.40 0.00 -1.46 0.00 0.00 42.92 40.85 3hfg s ASP 95 CO 0.41 -0.67 2.03 0.24 0.52 0.00 0.00 175.17 177.70 3hfg h MET 96 N 8.61 0.00 0.13 4.34 2.86 -1.86 -1.68 114.93 127.33 3hfg h MET 96 Ca -0.25 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 3hfg h MET 96 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3hfg h MET 96 CO 0.87 0.12 -0.06 1.15 1.06 0.00 0.00 176.91 180.05 3hfg h THR 97 N 0.00 1.05 -0.77 2.22 2.02 -1.95 -1.77 112.91 113.71 3hfg h THR 97 Ca -0.00 -0.95 0.13 0.00 0.77 0.00 0.00 66.41 66.37 3hfg h THR 97 Cb 0.43 1.62 -0.09 0.00 -1.74 0.00 0.00 68.15 68.37 3hfg h THR 97 CO 0.02 0.22 0.34 0.15 0.37 0.00 0.00 175.52 176.61 3hfg h PHE 98 N -0.64 0.59 -0.58 3.16 3.57 -1.81 -1.68 116.94 119.55 3hfg h PHE 98 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3hfg h PHE 98 Cb 0.49 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3hfg h PHE 98 CO 0.07 0.11 0.27 0.00 -2.23 0.00 0.00 178.31 176.54 3hfg h ALA 99 N 1.53 0.75 -0.35 2.41 0.00 -1.27 0.38 119.26 122.72 3hfg h ALA 99 Ca 0.41 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3hfg h ALA 99 Cb 0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hfg h ALA 99 CO -0.37 0.32 -0.07 1.49 0.00 0.00 0.00 179.25 180.62 3hfg h GLU 100 N 0.80 0.57 0.17 0.00 4.81 -0.81 -3.18 114.58 116.94 3hfg h GLU 100 Ca 0.20 -0.15 -0.32 0.00 -0.13 0.00 0.00 59.36 58.95 3hfg h GLU 100 Cb 0.13 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3hfg h GLU 100 CO -0.02 0.65 -1.56 1.96 -0.73 0.00 0.00 179.01 179.30 3hfg h GLN 101 N 0.54 0.36 -0.90 1.92 4.20 -0.89 -3.28 115.11 117.05 3hfg h GLN 101 Ca 0.10 -0.62 0.22 0.00 0.06 0.00 0.00 58.65 58.42 3hfg h GLN 101 Cb 0.45 0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 3hfg h GLN 101 CO 0.02 1.26 0.61 0.35 -0.67 0.00 0.00 178.83 180.41 3hfg h PHE 102 N 0.10 0.39 0.20 2.96 3.57 -0.23 0.45 116.94 124.38 3hfg h PHE 102 Ca -0.27 0.01 -0.31 0.00 3.53 0.00 0.00 57.97 60.93 3hfg h PHE 102 Cb 2.07 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 40.72 3hfg h PHE 102 CO 0.09 0.09 -1.39 0.28 -2.23 0.00 0.00 178.31 175.15 3hfg h VAL 103 N 0.29 1.37 0.67 1.41 2.07 -1.62 -0.27 116.25 120.16 3hfg h VAL 103 Ca 0.46 -2.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.10 3hfg h VAL 103 Cb 1.34 3.00 0.01 0.00 -1.52 0.00 0.00 31.29 34.11 3hfg h VAL 103 CO -0.14 0.85 -0.32 0.00 0.02 0.00 0.00 177.57 177.98 3hfg h ALA 104 N 0.34 -0.91 -0.88 1.67 0.00 -1.44 -1.32 119.26 116.72 3hfg h ALA 104 Ca -0.21 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.61 3hfg h ALA 104 Cb 2.09 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 20.15 3hfg h ALA 104 CO 0.24 -0.98 0.51 0.37 0.00 0.00 0.00 179.25 179.39 3hfg h GLN 105 N -0.96 0.79 -0.15 0.00 4.15 -0.98 0.14 115.11 118.10 3hfg h GLN 105 Ca -0.09 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 3hfg h GLN 105 Cb 0.71 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 3hfg h GLN 105 CO 0.15 0.52 -0.63 0.00 -1.93 0.00 0.00 178.83 176.95 3hfg h ALA 106 N 1.50 0.63 -0.23 3.38 0.00 -1.03 -2.24 119.26 121.26 3hfg h ALA 106 Ca 0.44 -0.55 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 3hfg h ALA 106 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hfg h ALA 106 CO -0.27 0.71 -0.64 0.78 0.00 0.00 0.00 179.25 179.82 3hfg h GLY 107 N 1.09 0.92 1.02 0.00 0.00 -0.36 -2.61 103.07 103.12 3hfg h GLY 107 Ca -0.01 -1.16 -0.02 0.00 0.00 0.00 0.00 47.33 46.14 3hfg h GLY 107 CO 0.12 1.04 0.38 1.70 0.00 0.00 0.00 176.54 179.77 3hfg h LYS 108 N 0.61 1.07 -0.54 4.80 3.64 -0.77 0.12 116.57 125.51 3hfg h LYS 108 Ca -0.01 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 3hfg h LYS 108 Cb 1.26 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3hfg h LYS 108 CO 0.14 0.82 0.09 1.25 -2.27 0.00 0.00 179.45 179.48 3hfg h LEU 109 N 1.05 0.80 -1.42 5.20 5.85 -1.37 -2.97 115.31 122.45 3hfg h LEU 109 Ca 0.26 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3hfg h LEU 109 Cb 0.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3hfg h LEU 109 CO -0.04 0.81 0.00 0.23 -0.34 0.00 0.00 178.44 179.11 3hfg n MET 110 N -4.25 1.97 -2.40 1.25 2.81 -0.99 -4.94 117.12 110.58 3hfg n MET 110 Ca 0.04 -1.42 -0.19 0.00 -1.81 0.00 0.00 57.70 54.32 3hfg n MET 110 Cb 0.26 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.26 -0.43 0.00 3.03 0.00 0.18 -4.85 105.19 104.37 3hfg n GLY 111 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.05 2.18 2.89 -0.02 0.00 0.14 -5.02 105.19 104.32 3hfg n GLY 112 Ca -0.22 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 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 1.43 -0.04 0.99 2.96 -1.26 -4.70 118.68 118.05 3hfg s LEU 113 Ca 0.00 0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 3hfg s LEU 113 Cb 0.00 0.17 -0.06 0.00 0.50 0.00 0.00 46.19 46.80 3hfg s LEU 113 CO 0.00 -0.07 0.02 0.47 -1.32 0.00 0.00 176.35 175.46 3hfg n ASP 114 N 3.52 3.83 -3.75 3.68 8.00 0.13 -4.36 116.55 127.60 3hfg n ASP 114 Ca -0.18 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 3hfg n ASP 114 Cb 0.56 0.66 -0.12 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.13 0.27 -0.30 -1.24 1.75 -0.86 -0.80 119.30 116.00 3hfg s MET 115 Ca -0.02 0.46 0.02 0.00 -1.25 0.00 0.00 55.69 54.90 3hfg s MET 115 Cb 0.02 0.03 0.07 0.00 2.84 0.00 0.00 34.83 37.79 3hfg s MET 115 CO 0.20 -0.10 -0.03 -1.17 -0.65 0.00 0.00 175.02 173.27 3hfg s LEU 116 N 0.68 3.97 -0.52 4.11 2.96 0.43 -1.44 118.68 128.87 3hfg s LEU 116 Ca -0.04 -1.63 -0.17 0.00 -0.22 0.00 0.00 54.13 52.07 3hfg s LEU 116 Cb -0.06 -1.61 0.09 0.00 0.50 0.00 0.00 46.19 45.12 3hfg s LEU 116 CO -0.04 -0.27 0.53 -0.63 -1.32 0.00 0.00 176.35 174.62 3hfg s ILE 117 N 1.07 5.08 -0.36 6.68 1.01 0.66 -0.57 121.20 134.77 3hfg s ILE 117 Ca -0.02 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.34 3hfg s ILE 117 Cb -0.20 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 37.99 3hfg s ILE 117 CO -0.05 -0.81 0.71 -0.76 0.00 0.00 0.00 174.94 174.03 3hfg s LEU 118 N 2.02 4.19 0.00 2.97 1.43 0.54 -1.55 118.68 128.28 3hfg s LEU 118 Ca 0.07 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3hfg s LEU 118 Cb -0.25 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.06 3hfg s LEU 118 CO 0.06 -0.66 0.00 -3.20 0.23 0.00 0.00 176.35 172.78 3hfg n ASN 119 N 6.23 0.00 -4.84 2.29 5.15 -1.26 -1.05 115.26 121.78 3hfg n ASN 119 Ca 0.01 -0.02 -0.34 0.00 -0.60 0.00 0.00 54.58 53.63 3hfg n ASN 119 Cb 0.48 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.67 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 0.00 3.49 0.05 1.20 -3.43 -1.25 -4.76 115.29 110.59 3hfg s HIS 120 Ca 0.00 1.28 0.01 0.00 -0.80 0.00 0.00 55.06 55.55 3hfg s HIS 120 Cb 0.00 -2.56 -0.03 0.00 -1.43 0.00 0.00 32.58 28.56 3hfg s HIS 120 CO 0.00 0.20 -0.05 0.96 -2.00 0.00 0.00 174.74 173.85 3hfg s ILE 121 N -1.78 0.41 0.46 -5.38 -4.36 -1.26 -4.69 121.20 104.60 3hfg s ILE 121 Ca 0.49 -1.40 -0.23 0.00 -0.26 0.00 0.00 60.65 59.26 3hfg s ILE 121 Cb -0.13 -0.97 -0.07 0.00 1.25 0.00 0.00 42.46 42.54 3hfg s ILE 121 CO 0.19 -0.66 1.17 0.28 0.24 0.00 0.00 174.94 176.16 3hfg s THR 122 N -2.47 3.10 -0.06 8.37 -1.32 -1.26 -4.88 115.64 117.12 3hfg s THR 122 Ca -0.03 0.82 -0.36 0.00 -1.21 0.00 0.00 61.69 60.92 3hfg s THR 122 Cb -0.03 -3.41 -0.13 0.00 -1.51 0.00 0.00 72.50 67.42 3hfg s THR 122 CO -0.03 -0.01 1.74 0.59 -2.21 0.00 0.00 174.62 174.70 3hfg n ASN 123 N -0.50 3.00 -4.20 8.08 3.02 -1.26 -4.95 115.26 118.45 3hfg n ASN 123 Ca 0.07 1.03 -0.24 0.00 -0.03 0.00 0.00 54.58 55.42 3hfg n ASN 123 Cb 0.48 -1.32 -0.14 0.00 -0.61 0.00 0.00 39.78 38.19 3hfg n ASN 123 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hfg s THR 124 N 2.99 1.42 0.36 3.41 2.01 -1.26 -5.09 115.64 119.49 3hfg s THR 124 Ca 0.90 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.92 3hfg s THR 124 Cb -0.79 -1.24 -0.07 0.00 0.01 0.00 0.00 72.50 70.41 3hfg s THR 124 CO 0.51 0.17 0.01 -0.94 -0.69 0.00 0.00 174.62 173.69 3hfg s SER 125 N -1.01 3.22 -0.54 3.53 1.04 -1.26 -4.99 113.70 113.68 3hfg s SER 125 Ca 0.05 -1.34 -0.22 0.00 0.48 0.00 0.00 55.95 54.93 3hfg s SER 125 Cb -0.08 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.83 3hfg s SER 125 CO 0.01 -0.47 0.81 -0.22 0.98 0.00 0.00 173.24 174.35 3hfg s LEU 126 N -3.59 4.51 -0.05 2.42 2.96 -1.26 -4.91 118.68 118.76 3hfg s LEU 126 Ca 0.35 -0.66 -0.13 0.00 -0.22 0.00 0.00 54.13 53.46 3hfg s LEU 126 Cb 0.08 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 44.17 3hfg s LEU 126 CO 0.16 -1.10 0.31 0.20 -1.32 0.00 0.00 176.35 174.60 3hfg s ASN 127 N 2.87 -0.24 0.45 3.68 0.02 -0.79 -5.04 114.94 115.88 3hfg s ASN 127 Ca 0.23 0.28 -0.24 0.00 -1.02 0.00 0.00 52.86 52.10 3hfg s ASN 127 Cb -0.16 0.43 -0.07 0.00 0.02 0.00 0.00 41.25 41.47 3hfg s ASN 127 CO 0.15 -0.33 1.25 -0.76 0.02 0.00 0.00 177.10 177.42 3hfg s LEU 128 N -0.82 4.08 0.23 0.60 1.43 -1.26 -4.15 118.68 118.79 3hfg s LEU 128 Ca -0.09 2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 55.21 3hfg s LEU 128 Cb -0.04 -4.10 -0.12 0.00 0.03 0.00 0.00 46.19 41.96 3hfg s LEU 128 CO 0.03 -0.98 1.66 0.12 0.23 0.00 0.00 176.35 177.42 3hfg s PHE 129 N -1.39 2.86 -0.25 0.29 5.36 -1.26 -4.91 117.98 118.69 3hfg s PHE 129 Ca 0.62 0.52 0.19 0.00 -0.96 0.00 0.00 56.93 57.30 3hfg s PHE 129 Cb -0.34 -4.10 0.49 0.00 -0.34 0.00 0.00 43.02 38.73 3hfg s PHE 129 CO 0.42 -3.98 1.14 -2.39 -1.46 0.00 0.00 175.22 168.94 3hfg n HIS 130 N 3.34 1.54 -1.09 10.12 1.44 -1.26 -4.94 115.22 124.37 3hfg n HIS 130 Ca 0.13 -2.06 -0.03 0.00 -2.01 0.00 0.00 57.72 53.75 3hfg n HIS 130 Cb 0.36 -0.25 -0.01 0.00 0.12 0.00 0.00 29.99 30.21 3hfg n HIS 130 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3hfg n ASP 131 N -0.58 -3.95 -3.90 4.39 8.00 -1.26 -4.92 116.55 114.33 3hfg n ASP 131 Ca 0.16 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.32 3hfg n ASP 131 Cb 0.86 -1.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.23 3hfg n ASP 131 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3hfg n ASP 132 N 0.17 3.68 0.04 -2.24 5.75 -1.26 -4.71 116.55 117.97 3hfg n ASP 132 Ca -0.03 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 3hfg n ASP 132 Cb 0.20 -1.55 0.31 0.00 -1.03 0.00 0.00 41.12 39.04 3hfg n ASP 132 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3hfg h ILE 133 N 4.51 1.20 -0.96 2.12 2.04 -2.00 -2.02 117.51 122.40 3hfg h ILE 133 Ca 0.49 -0.87 0.13 0.00 1.00 0.00 0.00 64.86 65.61 3hfg h ILE 133 Cb 0.70 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 3hfg h ILE 133 CO 1.79 0.28 0.61 1.12 0.00 0.00 0.00 178.15 181.96 3hfg h HIS 134 N 0.40 1.04 -0.32 1.37 2.07 -1.99 0.17 115.15 117.89 3hfg h HIS 134 Ca 0.08 0.03 -0.16 0.00 -2.85 0.00 0.00 60.37 57.47 3hfg h HIS 134 Cb 0.40 -0.33 -0.00 0.00 2.57 0.00 0.00 27.41 30.05 3hfg h HIS 134 CO 0.01 0.40 -0.43 1.25 -3.07 0.00 0.00 177.93 176.10 3hfg h HIS 135 N 0.90 1.04 -0.15 6.12 -0.00 -1.77 -0.02 115.15 121.28 3hfg h HIS 135 Ca 0.48 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3hfg h HIS 135 Cb 0.56 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 3hfg h HIS 135 CO -0.00 1.15 0.09 0.28 -0.00 0.00 0.00 177.93 179.46 3hfg h VAL 136 N 0.63 1.06 -0.37 5.26 2.07 -1.15 0.21 116.25 123.97 3hfg h VAL 136 Ca 0.04 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3hfg h VAL 136 Cb 1.03 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3hfg h VAL 136 CO 0.10 0.05 0.24 -0.09 0.02 0.00 0.00 177.57 177.89 3hfg h ARG 137 N 0.18 0.47 -0.73 1.57 2.43 -0.60 -1.22 114.38 116.48 3hfg h ARG 137 Ca 0.05 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3hfg h ARG 137 Cb 0.01 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3hfg h ARG 137 CO -0.01 0.31 0.48 -0.22 -1.51 0.00 0.00 179.97 179.02 3hfg h LYS 138 N 0.48 0.95 -0.52 0.20 3.64 -0.82 0.31 116.57 120.81 3hfg h LYS 138 Ca 0.14 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3hfg h LYS 138 Cb -0.04 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 3hfg h LYS 138 CO -0.04 0.63 0.17 0.77 -2.27 0.00 0.00 179.45 178.71 3hfg h SER 139 N 0.98 0.74 -0.28 4.20 0.02 -0.60 0.30 113.55 118.91 3hfg h SER 139 Ca 0.27 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3hfg h SER 139 Cb -0.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 3hfg h SER 139 CO -0.06 0.75 0.11 0.24 -1.14 0.00 0.00 176.83 176.72 3hfg h MET 140 N 0.70 0.42 0.04 3.45 2.86 -0.92 0.71 114.93 122.19 3hfg h MET 140 Ca 0.17 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3hfg h MET 140 Cb 0.26 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3hfg h MET 140 CO -0.01 0.45 -0.14 0.93 1.06 0.00 0.00 176.91 179.21 3hfg h GLU 141 N 0.30 -0.25 0.00 1.72 4.39 -0.64 0.74 114.58 120.84 3hfg h GLU 141 Ca 0.09 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 3hfg h GLU 141 Cb 0.19 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3hfg h GLU 141 CO -0.01 -0.17 -0.27 0.28 -1.16 0.00 0.00 179.01 177.69 3hfg h VAL 142 N -0.26 1.28 0.00 3.13 2.07 -0.96 -1.88 116.25 119.63 3hfg h VAL 142 Ca 0.04 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.50 3hfg h VAL 142 Cb 0.30 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3hfg h VAL 142 CO -0.11 0.43 0.00 0.78 0.02 0.00 0.00 177.57 178.70 3hfg h ASN 143 N -1.00 0.00 0.00 0.57 2.35 -0.98 -3.38 115.58 113.14 3hfg h ASN 143 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3hfg h ASN 143 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3hfg h ASN 143 CO -0.04 0.00 0.00 0.33 -1.65 0.00 0.00 177.43 176.07 3hfg n PHE 144 N -3.00 -1.35 0.04 1.19 7.35 -0.66 -4.71 117.46 116.33 3hfg n PHE 144 Ca 0.01 0.24 0.01 0.00 -0.76 0.00 0.00 57.45 56.95 3hfg n PHE 144 Cb 0.30 0.30 0.34 0.00 0.35 0.00 0.00 39.48 40.78 3hfg n PHE 144 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3hfg h LEU 145 N 0.00 0.40 -0.80 -2.13 3.38 -0.79 -1.79 115.31 113.58 3hfg h LEU 145 Ca 0.00 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3hfg h LEU 145 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hfg h LEU 145 CO 0.00 0.48 -0.40 0.77 0.09 0.00 0.00 178.44 179.38 3hfg h SER 146 N 0.41 0.43 -0.76 -0.43 4.64 -1.52 -1.75 113.55 114.58 3hfg h SER 146 Ca 0.09 -0.19 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3hfg h SER 146 Cb 0.31 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 3hfg h SER 146 CO 0.01 0.79 0.50 1.88 -0.87 0.00 0.00 176.83 179.14 3hfg h TYR 147 N 0.34 0.85 -0.11 4.77 -1.99 -1.54 0.12 116.97 119.41 3hfg h TYR 147 Ca 0.03 0.02 -0.22 0.00 2.00 0.00 0.00 58.73 60.56 3hfg h TYR 147 Cb 0.86 -0.28 0.01 0.00 2.00 0.00 0.00 36.73 39.32 3hfg h TYR 147 CO 0.03 0.46 -0.81 0.28 -0.00 0.00 0.00 178.16 178.12 3hfg h VAL 148 N 0.85 1.29 -0.40 -2.88 2.07 -1.15 -2.28 116.25 113.75 3hfg h VAL 148 Ca 0.32 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.82 3hfg h VAL 148 Cb 0.18 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3hfg h VAL 148 CO -0.10 0.63 0.25 0.58 0.02 0.00 0.00 177.57 178.95 3hfg h VAL 149 N 0.45 1.12 -0.67 2.57 2.07 -0.86 0.58 116.25 121.51 3hfg h VAL 149 Ca -0.07 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3hfg h VAL 149 Cb 1.45 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3hfg h VAL 149 CO 0.16 0.12 0.44 -0.07 0.02 0.00 0.00 177.57 178.25 3hfg h LEU 150 N 0.54 0.73 0.08 2.57 3.38 -0.78 -1.80 115.31 120.03 3hfg h LEU 150 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hfg h LEU 150 Cb -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3hfg h LEU 150 CO -0.03 0.52 -0.04 0.74 0.09 0.00 0.00 178.44 179.72 3hfg h THR 151 N 0.85 1.18 -0.97 0.22 2.02 -0.83 -2.09 112.91 113.31 3hfg h THR 151 Ca 0.26 -1.23 0.19 0.00 0.77 0.00 0.00 66.41 66.40 3hfg h THR 151 Cb -0.02 1.94 -0.11 0.00 -1.74 0.00 0.00 68.15 68.22 3hfg h THR 151 CO -0.06 0.29 0.56 0.58 0.37 0.00 0.00 175.52 177.26 3hfg h VAL 152 N -0.70 0.68 -0.01 3.16 2.07 -0.75 -0.03 116.25 120.67 3hfg h VAL 152 Ca -0.01 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 3hfg h VAL 152 Cb 0.56 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3hfg h VAL 152 CO 0.02 0.13 -0.55 0.00 0.02 0.00 0.00 177.57 177.19 3hfg h ALA 153 N 1.64 1.08 0.00 1.67 0.00 -1.26 -3.26 119.26 119.14 3hfg h ALA 153 Ca 0.56 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hfg h ALA 153 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hfg h ALA 153 CO -0.40 0.69 -1.40 0.00 0.00 0.00 0.00 179.25 178.14 3hfg n ALA 154 N -2.44 2.55 -0.12 0.00 0.00 -0.51 -4.56 120.51 115.43 3hfg n ALA 154 Ca -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 3hfg n ALA 154 Cb 0.56 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.06 3hfg n ALA 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hfg h LEU 155 N 0.00 -0.57 -0.50 0.00 5.85 -1.09 -1.99 115.31 117.02 3hfg h LEU 155 Ca -0.02 0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3hfg h LEU 155 Cb 1.07 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.34 3hfg h LEU 155 CO 0.00 -0.20 0.00 -0.65 -0.34 0.00 0.00 178.44 177.26 3hfg h PRO 156 N -0.08 0.12 -0.12 5.25 0.11 -1.80 0.35 132.00 135.83 3hfg h PRO 156 Ca 0.20 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 3hfg h PRO 156 Cb 0.39 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3hfg h PRO 156 CO -0.46 0.08 -0.17 0.52 -0.21 0.00 0.00 178.00 177.76 3hfg h MET 157 N 0.12 0.18 0.13 1.05 2.86 -1.74 -2.80 114.93 114.74 3hfg h MET 157 Ca 0.25 -0.04 -0.27 0.00 -2.06 0.00 0.00 59.70 57.57 3hfg h MET 157 Cb 0.38 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3hfg h MET 157 CO -0.41 0.36 -1.25 -0.07 1.06 0.00 0.00 176.91 176.60 3hfg h LEU 158 N 0.18 0.42 -2.37 1.22 3.38 -0.36 -2.29 115.31 115.48 3hfg h LEU 158 Ca 0.03 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3hfg h LEU 158 Cb 0.40 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hfg h LEU 158 CO 0.03 1.36 -0.04 0.11 0.09 0.00 0.00 178.44 179.99 3hfg h LYS 159 N 0.07 0.00 0.00 1.13 1.57 -0.28 -0.37 116.57 118.69 3hfg h LYS 159 Ca -0.14 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 3hfg h LYS 159 Cb 1.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.26 3hfg h LYS 159 CO 0.20 0.04 -1.13 0.37 -0.57 0.00 0.00 179.45 178.36 3hfg h GLN 160 N 0.00 0.00 -0.08 3.15 5.75 -1.24 -3.31 115.11 119.38 3hfg h GLN 160 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hfg h GLN 160 Cb 0.12 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3hfg h GLN 160 CO 0.00 0.24 0.00 -1.13 -2.65 0.00 0.00 178.83 175.29 3hfg n SER 161 N -2.89 2.28 -4.17 -0.69 3.41 -0.89 -4.98 113.62 105.70 3hfg n SER 161 Ca -0.05 -1.63 -0.35 0.00 -0.26 0.00 0.00 58.87 56.58 3hfg n SER 161 Cb 0.74 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.76 -1.08 -0.18 4.04 3.02 -0.19 -4.95 115.26 116.68 3hfg n ASN 162 Ca 0.09 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 3hfg n ASN 162 Cb 0.36 -1.90 0.00 0.00 -0.61 0.00 0.00 39.78 37.63 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 -2.31 1.79 3.13 7.41 0.00 -0.95 -4.83 105.19 109.44 3hfg n GLY 163 Ca -0.25 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.09 -0.16 1.61 0.01 0.02 -2.03 113.70 112.06 3hfg s SER 164 Ca 0.00 0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.28 3hfg s SER 164 Cb 0.00 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.51 3hfg s SER 164 CO 0.00 -0.30 -0.10 -0.63 0.41 0.00 0.00 173.24 172.62 3hfg s ILE 165 N -0.94 3.22 -0.28 1.44 1.01 0.41 -0.43 121.20 125.63 3hfg s ILE 165 Ca -0.10 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3hfg s ILE 165 Cb -0.05 -2.39 0.06 0.00 0.01 0.00 0.00 42.46 40.09 3hfg s ILE 165 CO 0.02 0.49 -0.07 -0.69 0.00 0.00 0.00 174.94 174.69 3hfg s VAL 166 N 0.70 2.35 -0.21 2.92 1.01 0.27 -1.31 120.40 126.12 3hfg s VAL 166 Ca -0.05 -1.67 -0.14 0.00 0.00 0.00 0.00 61.98 60.12 3hfg s VAL 166 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3hfg s VAL 166 CO 0.02 -0.11 0.32 -0.69 0.00 0.00 0.00 175.10 174.64 3hfg s VAL 167 N 1.11 5.25 -0.36 2.92 1.01 0.11 -0.34 120.40 130.10 3hfg s VAL 167 Ca -0.06 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 3hfg s VAL 167 Cb -0.20 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 3hfg s VAL 167 CO -0.05 0.28 0.41 -0.69 0.00 0.00 0.00 175.10 175.05 3hfg s VAL 168 N 1.24 5.12 0.00 2.92 1.01 -0.21 -0.54 120.40 129.93 3hfg s VAL 168 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3hfg s VAL 168 Cb -0.14 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3hfg s VAL 168 CO 0.07 -0.19 0.00 -0.24 0.00 0.00 0.00 175.10 174.74 3hfg n SER 169 N 5.50 1.03 -3.93 3.32 2.88 0.23 -4.85 113.62 117.81 3hfg n SER 169 Ca -0.08 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 3hfg n SER 169 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.13 0.23 -3.46 0.01 -1.25 -3.03 113.70 107.08 3hfg s SER 170 Ca 0.00 -0.80 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 3hfg s SER 170 Cb 0.00 0.59 0.26 0.00 0.21 0.00 0.00 66.02 67.08 3hfg s SER 170 CO 0.00 -1.12 1.86 -0.07 0.41 0.00 0.00 173.24 174.32 3hfg h LEU 171 N 2.24 0.85 0.00 2.44 3.38 -1.75 0.17 115.31 122.64 3hfg h LEU 171 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hfg h LEU 171 Cb 1.25 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hfg h LEU 171 CO 0.36 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.46 3hfg n ALA 172 N -2.34 1.91 -0.54 1.53 0.00 -1.26 -0.24 120.51 119.57 3hfg n ALA 172 Ca 0.10 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.56 3hfg n ALA 172 Cb 0.11 -1.18 0.26 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.30 3.03 0.00 0.00 0.00 0.60 -4.47 105.19 104.04 3hfg n GLY 173 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.59 2.76 -4.02 1.61 4.76 0.67 -4.28 118.16 120.24 3hfg n LYS 174 Ca 0.20 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.54 3hfg n LYS 174 Cb 0.71 -0.54 -0.08 0.00 -1.84 0.00 0.00 35.03 33.28 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 -0.65 0.08 -0.12 -0.18 -7.23 -0.29 -5.12 120.40 106.89 3hfg s VAL 175 Ca 0.00 -1.56 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 3hfg s VAL 175 Cb 0.00 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3hfg s VAL 175 CO 0.00 -0.36 0.38 0.00 -0.31 0.00 0.00 175.10 174.81 3hfg s ALA 176 N -3.99 3.57 0.12 1.32 0.00 -1.26 -4.34 121.76 117.18 3hfg s ALA 176 Ca 0.19 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.88 3hfg s ALA 176 Cb 0.05 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 3hfg s ALA 176 CO 0.00 0.13 -0.11 0.71 0.00 0.00 0.00 175.76 176.50 3hfg s TYR 177 N 0.23 1.20 0.63 0.00 1.51 -1.26 -5.09 117.35 114.57 3hfg s TYR 177 Ca 0.21 -0.68 -0.11 0.00 -1.01 0.00 0.00 57.07 55.49 3hfg s TYR 177 Cb -0.14 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 3hfg s TYR 177 CO 0.08 0.06 1.04 -1.25 -1.11 0.00 0.00 175.55 174.36 3hfg s PRO 178 N -3.13 3.49 0.00 -1.71 0.04 -1.26 -4.13 135.00 128.30 3hfg s PRO 178 Ca 0.10 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.89 3hfg s PRO 178 Cb -0.01 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3hfg s PRO 178 CO 0.01 -0.65 0.00 -1.33 0.04 0.00 0.00 177.00 175.07 3hfg n MET 179 N -2.80 0.00 -2.54 4.56 2.81 -1.26 -4.84 117.12 113.05 3hfg n MET 179 Ca 0.06 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.94 3hfg n MET 179 Cb 0.54 -2.21 0.05 0.00 -0.71 0.00 0.00 33.22 30.88 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 -2.00 1.22 0.22 2.03 0.24 -1.26 -1.88 118.33 116.89 3hfg n VAL 180 Ca 0.00 -2.77 -0.12 0.00 -2.04 0.00 0.00 64.34 59.41 3hfg n VAL 180 Cb 0.00 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.33 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 2.32 -1.05 -0.46 2.33 0.00 -1.85 0.27 119.26 120.82 3hfg h ALA 181 Ca -0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hfg h ALA 181 Cb 1.38 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 3hfg h ALA 181 CO 0.22 -1.06 0.25 0.00 0.00 0.00 0.00 179.25 178.66 3hfg h ALA 182 N -1.28 0.58 -0.91 0.00 0.00 -1.95 0.11 119.26 115.81 3hfg h ALA 182 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.99 3hfg h ALA 182 Cb 0.58 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3hfg h ALA 182 CO -0.01 -0.08 0.59 -0.92 0.00 0.00 0.00 179.25 178.83 3hfg h TYR 183 N 0.51 0.92 -0.07 0.00 3.20 -1.92 -2.65 116.97 116.95 3hfg h TYR 183 Ca 0.19 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 3hfg h TYR 183 Cb 0.06 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3hfg h TYR 183 CO -0.08 0.37 -0.23 1.03 -1.64 0.00 0.00 178.16 177.61 3hfg h SER 184 N 0.80 0.33 -0.88 -2.11 0.87 0.15 -2.64 113.55 110.07 3hfg h SER 184 Ca 0.45 -0.61 0.10 0.00 -1.23 0.00 0.00 61.79 60.50 3hfg h SER 184 Cb 0.59 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 3hfg h SER 184 CO -0.21 0.88 0.53 0.00 -0.53 0.00 0.00 176.83 177.49 3hfg h ALA 185 N 0.46 1.27 -0.34 6.23 0.00 -0.71 0.40 119.26 126.56 3hfg h ALA 185 Ca -0.01 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3hfg h ALA 185 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hfg h ALA 185 CO 0.05 0.16 -0.31 0.66 0.00 0.00 0.00 179.25 179.81 3hfg h SER 186 N 0.88 0.87 -0.16 0.00 4.64 -1.47 0.24 113.55 118.55 3hfg h SER 186 Ca 0.42 -0.46 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 3hfg h SER 186 Cb 0.37 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3hfg h SER 186 CO -0.24 1.14 -0.27 0.11 -0.87 0.00 0.00 176.83 176.70 3hfg h LYS 187 N 0.60 0.63 -0.61 4.77 1.79 -1.14 -2.16 116.57 120.44 3hfg h LYS 187 Ca 0.06 -0.26 -0.05 0.00 -2.18 0.00 0.00 60.65 58.22 3hfg h LYS 187 Cb 0.89 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.49 3hfg h LYS 187 CO 0.08 0.83 0.17 0.74 -1.08 0.00 0.00 179.45 180.20 3hfg h PHE 188 N 0.55 1.01 -1.00 -1.35 0.04 -0.83 -2.93 116.94 112.42 3hfg h PHE 188 Ca 0.07 -0.11 0.10 0.00 2.80 0.00 0.00 57.97 60.83 3hfg h PHE 188 Cb 0.74 -0.29 -0.08 0.00 2.20 0.00 0.00 35.95 38.53 3hfg h PHE 188 CO 0.03 0.84 0.64 0.00 -0.60 0.00 0.00 178.31 179.22 3hfg h ALA 189 N 1.06 1.47 -0.52 2.45 0.00 -0.51 -2.24 119.26 120.97 3hfg h ALA 189 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hfg h ALA 189 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hfg h ALA 189 CO -0.00 0.33 0.24 -0.07 0.00 0.00 0.00 179.25 179.74 3hfg h LEU 190 N 1.08 0.69 0.47 0.00 3.38 -1.22 -1.54 115.31 118.17 3hfg h LEU 190 Ca 0.47 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3hfg h LEU 190 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hfg h LEU 190 CO -0.22 0.64 -0.23 -0.78 0.09 0.00 0.00 178.44 177.94 3hfg h ASP 191 N 0.70 -0.53 -0.75 -0.43 3.58 -1.34 0.96 116.42 118.61 3hfg h ASP 191 Ca 0.18 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.65 3hfg h ASP 191 Cb 0.14 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 3hfg h ASP 191 CO -0.02 -0.35 0.49 1.23 -2.88 0.00 0.00 179.24 177.71 3hfg h GLY 192 N -0.67 1.04 0.19 -0.78 0.00 -1.40 0.13 103.07 101.58 3hfg h GLY 192 Ca -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3hfg h GLY 192 CO 0.11 0.32 -0.06 -2.75 0.00 0.00 0.00 176.54 174.15 3hfg h PHE 193 N 0.93 -0.17 0.00 5.60 3.04 -1.15 -3.03 116.94 122.16 3hfg h PHE 193 Ca 0.29 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.15 3hfg h PHE 193 Cb 0.03 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 3hfg h PHE 193 CO -0.00 0.14 -0.41 0.74 -2.02 0.00 0.00 178.31 176.76 3hfg h PHE 194 N -0.99 0.00 -0.22 0.41 -1.00 -0.80 -0.45 116.94 113.89 3hfg h PHE 194 Ca -0.02 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.59 3hfg h PHE 194 Cb 0.38 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 3hfg h PHE 194 CO 0.06 0.41 -0.56 0.77 -1.61 0.00 0.00 178.31 177.38 3hfg h SER 195 N 0.00 0.75 -0.36 2.17 0.02 -0.89 -1.09 113.55 114.15 3hfg h SER 195 Ca -0.00 -0.40 -0.09 0.00 -0.84 0.00 0.00 61.79 60.45 3hfg h SER 195 Cb 0.77 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3hfg h SER 195 CO 0.05 1.15 -0.14 -1.28 -1.14 0.00 0.00 176.83 175.48 3hfg h SER 196 N 0.51 0.74 0.62 3.07 0.87 -1.33 -2.66 113.55 115.37 3hfg h SER 196 Ca 0.01 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.10 3hfg h SER 196 Cb 1.13 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 3hfg h SER 196 CO 0.11 0.96 -0.37 0.16 -0.53 0.00 0.00 176.83 177.17 3hfg h ILE 197 N 0.51 1.01 -0.55 2.23 3.07 -1.10 -1.41 117.51 121.26 3hfg h ILE 197 Ca 0.08 -1.38 -0.01 0.00 1.55 0.00 0.00 64.86 65.10 3hfg h ILE 197 Cb 0.67 1.80 -0.03 0.00 -0.27 0.00 0.00 36.82 38.99 3hfg h ILE 197 CO 0.05 0.36 0.30 -0.09 -1.05 0.00 0.00 178.15 177.72 3hfg h ARG 198 N 0.00 0.76 -0.24 0.16 2.43 -0.99 0.14 114.38 116.64 3hfg h ARG 198 Ca -0.00 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 3hfg h ARG 198 Cb 0.77 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3hfg h ARG 198 CO 0.05 0.58 -0.24 0.87 -1.51 0.00 0.00 179.97 179.72 3hfg h LYS 199 N 0.73 0.46 -0.53 0.20 1.57 -1.19 -2.44 116.57 115.37 3hfg h LYS 199 Ca 0.19 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3hfg h LYS 199 Cb 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3hfg h LYS 199 CO -0.03 0.67 0.19 0.93 -0.57 0.00 0.00 179.45 180.64 3hfg h GLU 200 N 0.41 0.76 0.00 3.15 5.08 -0.32 -2.72 114.58 120.94 3hfg h GLU 200 Ca 0.06 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hfg h GLU 200 Cb 0.64 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hfg h GLU 200 CO 0.05 0.64 0.00 1.88 -1.00 0.00 0.00 179.01 180.58 3hfg h TYR 201 N 0.75 0.00 0.01 4.33 0.05 -0.29 -2.14 116.97 119.68 3hfg h TYR 201 Ca 0.18 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.75 3hfg h TYR 201 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3hfg h TYR 201 CO 0.01 0.00 -0.91 0.77 -1.05 0.00 0.00 178.16 176.98 3hfg h SER 202 N 0.00 0.33 0.13 3.88 0.02 -1.15 -2.57 113.55 114.18 3hfg h SER 202 Ca 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3hfg h SER 202 Cb 0.69 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3hfg h SER 202 CO 0.00 1.08 -0.78 1.33 -1.14 0.00 0.00 176.83 177.32 3hfg n VAL 203 N -3.67 0.00 1.06 2.27 0.24 -1.16 -3.72 118.33 113.35 3hfg n VAL 203 Ca -0.04 -0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.33 3hfg n VAL 203 Cb 0.82 0.83 0.10 0.00 -1.47 0.00 0.00 33.84 34.12 3hfg n VAL 203 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3hfg n SER 204 N -1.26 2.06 -0.68 -1.34 7.64 -0.81 -4.95 113.62 114.27 3hfg n SER 204 Ca 0.05 -1.52 -0.08 0.00 1.01 0.00 0.00 58.87 58.33 3hfg n SER 204 Cb 0.35 0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 63.82 3hfg n SER 204 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hfg n ARG 205 N 0.18 -1.74 -1.72 1.43 3.00 -1.04 -4.94 116.66 111.83 3hfg n ARG 205 Ca 0.11 0.74 -0.42 0.00 -0.01 0.00 0.00 57.85 58.27 3hfg n ARG 205 Cb 0.47 -5.05 -0.03 0.00 0.00 0.00 0.00 32.46 27.85 3hfg n ARG 205 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3hfg s VAL 206 N -1.64 2.43 -1.02 1.55 1.01 -1.00 -4.92 120.40 116.81 3hfg s VAL 206 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3hfg s VAL 206 Cb 0.00 -3.03 0.32 0.00 0.00 0.00 0.00 36.38 33.66 3hfg s VAL 206 CO 0.00 0.00 1.73 -3.20 0.00 0.00 0.00 175.10 173.63 3hfg n ASN 207 N 5.28 7.07 -3.87 3.32 5.15 -1.26 -4.64 115.26 126.31 3hfg n ASN 207 Ca 0.17 -3.64 -0.24 0.00 -0.60 0.00 0.00 54.58 50.28 3hfg n ASN 207 Cb 0.38 -1.16 -0.17 0.00 -0.53 0.00 0.00 39.78 38.29 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 -4.04 0.70 0.41 3.44 1.01 -1.26 -3.92 120.40 116.74 3hfg s VAL 208 Ca 0.38 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 3hfg s VAL 208 Cb 0.17 -0.75 -0.11 0.00 0.00 0.00 0.00 36.38 35.69 3hfg s VAL 208 CO -0.08 0.30 0.96 -0.94 0.00 0.00 0.00 175.10 175.33 3hfg s SER 209 N 1.49 6.96 -0.16 3.32 1.04 -0.86 -4.87 113.70 120.62 3hfg s SER 209 Ca -0.01 1.75 0.01 0.00 0.48 0.00 0.00 55.95 58.18 3hfg s SER 209 Cb -0.13 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.46 3hfg s SER 209 CO -0.04 -0.34 -0.18 -0.63 0.98 0.00 0.00 173.24 173.03 3hfg s ILE 210 N -2.04 1.90 -0.27 -1.02 1.01 -1.26 -0.44 121.20 119.07 3hfg s ILE 210 Ca 0.60 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 3hfg s ILE 210 Cb -0.12 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.67 3hfg s ILE 210 CO 0.16 0.51 -0.04 -0.89 0.00 0.00 0.00 174.94 174.68 3hfg s THR 211 N 1.26 2.85 -0.16 2.92 2.01 -0.43 -4.31 115.64 119.77 3hfg s THR 211 Ca 0.03 -1.22 -0.20 0.00 0.31 0.00 0.00 61.69 60.61 3hfg s THR 211 Cb -0.13 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 3hfg s THR 211 CO -0.10 0.06 0.56 -0.22 -0.69 0.00 0.00 174.62 174.23 3hfg s LEU 212 N 1.28 4.20 -0.29 4.42 2.96 0.44 0.07 118.68 131.76 3hfg s LEU 212 Ca -0.03 0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 54.62 3hfg s LEU 212 Cb -0.18 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.72 3hfg s LEU 212 CO -0.03 -0.15 0.08 0.00 -1.32 0.00 0.00 176.35 174.92 3hfg s VAL 214 N 1.51 5.20 -0.09 0.00 1.01 0.12 0.75 120.40 128.89 3hfg s VAL 214 Ca 0.03 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3hfg s VAL 214 Cb -0.17 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3hfg s VAL 214 CO 0.02 -0.46 -0.10 -0.76 0.00 0.00 0.00 175.10 173.80 3hfg s LEU 215 N 1.81 2.97 0.00 3.92 1.43 -1.17 -1.57 118.68 126.07 3hfg s LEU 215 Ca 0.06 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3hfg s LEU 215 Cb -0.21 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3hfg s LEU 215 CO 0.09 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.57 3hfg n GLY 216 N 2.75 -0.87 3.67 -3.19 0.00 -0.52 -2.21 105.19 104.81 3hfg n GLY 216 Ca -0.18 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 4.00 -4.46 0.99 7.94 -1.26 -4.91 117.00 119.30 3hfg n LEU 217 Ca 0.00 0.95 -0.31 0.00 -1.11 0.00 0.00 56.01 55.53 3hfg n LEU 217 Cb 0.00 -1.51 -0.13 0.00 0.53 0.00 0.00 43.42 42.31 3hfg n LEU 217 CO 0.00 0.15 -0.48 -0.63 -1.11 0.00 0.00 177.39 175.32 3hfg s ILE 218 N 3.73 2.86 -0.01 1.96 -1.09 -1.26 -1.72 121.20 125.66 3hfg s ILE 218 Ca 0.87 -1.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.17 3hfg s ILE 218 Cb -0.49 -2.19 -0.09 0.00 -1.58 0.00 0.00 42.46 38.11 3hfg s ILE 218 CO 0.42 0.38 2.56 -0.90 -1.23 0.00 0.00 174.94 176.17 3hfg n ASP 219 N 1.68 5.34 -4.81 3.58 3.85 -0.07 -4.64 116.55 121.48 3hfg n ASP 219 Ca -0.16 -2.45 -0.32 0.00 -0.71 0.00 0.00 54.79 51.14 3hfg n ASP 219 Cb 0.52 -1.23 0.02 0.00 -1.35 0.00 0.00 41.12 39.08 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 0.27 3.96 0.29 2.12 -4.23 -1.26 -4.75 115.64 112.04 3hfg s THR 220 Ca 0.24 0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 61.56 3hfg s THR 220 Cb 0.12 -3.43 0.25 0.00 1.34 0.00 0.00 72.50 70.77 3hfg s THR 220 CO -0.00 -0.64 1.94 -0.08 -0.54 0.00 0.00 174.62 175.30 3hfg h GLU 221 N 0.14 1.10 -0.29 3.99 4.81 -1.98 -1.25 114.58 121.10 3hfg h GLU 221 Ca -0.46 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 58.56 3hfg h GLU 221 Cb 1.21 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3hfg h GLU 221 CO 0.58 0.75 -0.34 1.15 -0.73 0.00 0.00 179.01 180.42 3hfg h THR 222 N 1.13 1.29 -0.02 0.32 2.02 -1.95 -2.46 112.91 113.23 3hfg h THR 222 Ca 0.30 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 3hfg h THR 222 Cb -0.08 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3hfg h THR 222 CO -0.06 0.47 0.00 0.00 0.37 0.00 0.00 175.52 176.31 3hfg h ALA 223 N 1.09 0.02 0.00 6.16 0.00 -1.71 -3.01 119.26 121.81 3hfg h ALA 223 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hfg h ALA 223 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hfg h ALA 223 CO 0.07 -0.34 0.00 -1.33 0.00 0.00 0.00 179.25 177.65 3hfg n MET 224 N -4.94 0.22 0.03 0.00 2.81 -0.52 -1.44 117.12 113.28 3hfg n MET 224 Ca -0.07 0.39 0.11 0.00 -1.81 0.00 0.00 57.70 56.32 3hfg n MET 224 Cb 0.16 -1.87 0.03 0.00 -0.71 0.00 0.00 33.22 30.82 3hfg n MET 224 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hfg n LYS 225 N -2.28 0.32 -0.01 0.03 5.02 -0.94 -3.31 118.16 117.00 3hfg n LYS 225 Ca 0.03 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 3hfg n LYS 225 Cb 0.27 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 3hfg n LYS 225 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hfg h ALA 226 N 2.49 0.69 0.00 7.82 0.00 -1.11 -3.43 119.26 125.72 3hfg h ALA 226 Ca 0.00 -1.40 -0.26 0.00 0.00 0.00 0.00 54.91 53.26 3hfg h ALA 226 Cb 0.76 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3hfg h ALA 226 CO 0.00 1.52 -1.78 1.33 0.00 0.00 0.00 179.25 180.31 3hfg n VAL 227 N -3.13 1.30 -0.33 0.00 0.24 -0.92 -4.39 118.33 111.11 3hfg n VAL 227 Ca -0.16 -0.15 0.34 0.00 -2.04 0.00 0.00 64.34 62.33 3hfg n VAL 227 Cb 1.04 -1.93 0.54 0.00 -1.47 0.00 0.00 33.84 32.02 3hfg n VAL 227 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3hfg h SER 228 N -0.80 0.00 0.28 -1.34 0.02 -1.79 0.24 113.55 110.15 3hfg h SER 228 Ca -0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3hfg h SER 228 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 3hfg h SER 228 CO -0.23 0.00 -0.17 1.23 -1.14 0.00 0.00 176.83 176.52 3hfg h GLY 229 N 0.00 -0.63 0.00 -3.77 0.00 -1.83 -3.45 103.07 93.39 3hfg h GLY 229 Ca 0.59 0.26 0.00 0.00 0.00 0.00 0.00 47.33 48.18 3hfg h GLY 229 CO -0.01 -0.22 0.00 0.29 0.00 0.00 0.00 176.54 176.60 3hfg n ILE 230 N -3.29 0.00 -2.09 2.60 -0.00 0.83 -4.98 119.36 112.44 3hfg n ILE 230 Ca -0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.32 3hfg n ILE 230 Cb 0.17 -0.78 0.00 0.00 -0.00 0.00 0.00 39.64 39.04 3hfg n ILE 230 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3hfg s VAL 231 N 0.00 2.72 0.39 7.28 1.01 -1.26 -5.00 120.40 125.53 3hfg s VAL 231 Ca 0.00 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.60 3hfg s VAL 231 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3hfg s VAL 231 CO 0.00 0.03 0.12 -1.00 0.00 0.00 0.00 175.10 174.25 3hfg s HIS 232 N -1.38 1.79 0.04 5.22 0.09 -1.26 -4.68 115.29 115.11 3hfg s HIS 232 Ca 0.62 -1.25 0.01 0.00 -0.00 0.00 0.00 55.06 54.44 3hfg s HIS 232 Cb -0.35 -1.15 -0.00 0.00 -0.00 0.00 0.00 32.58 31.08 3hfg s HIS 232 CO 0.43 -0.27 0.02 -0.12 -0.00 0.00 0.00 174.74 174.80 3hfg n MET 233 N -0.86 0.63 -3.18 1.40 0.00 -1.26 -5.12 117.12 108.74 3hfg n MET 233 Ca -0.05 -0.38 -0.42 0.00 -0.00 0.00 0.00 57.70 56.84 3hfg n MET 233 Cb 0.65 0.24 -0.07 0.00 0.00 0.00 0.00 33.22 34.04 3hfg n MET 233 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 3hfg s GLN 234 N -2.17 3.42 -0.19 2.12 2.00 -1.26 -5.05 119.66 118.53 3hfg s GLN 234 Ca 0.03 -0.30 -0.21 0.00 -2.00 0.00 0.00 55.36 52.88 3hfg s GLN 234 Cb 0.00 -3.89 -0.03 0.00 0.80 0.00 0.00 33.01 29.90 3hfg s GLN 234 CO 0.02 -0.83 0.62 0.00 -0.50 0.00 0.00 175.29 174.60 3hfg s ALA 235 N 2.57 3.53 0.80 1.58 0.00 -1.26 -4.59 121.76 124.39 3hfg s ALA 235 Ca 0.20 -0.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 3hfg s ALA 235 Cb -0.15 -2.95 0.08 0.00 0.00 0.00 0.00 23.12 20.10 3hfg s ALA 235 CO 0.16 -0.51 1.10 0.00 0.00 0.00 0.00 175.76 176.51 3hfg s ALA 236 N 1.80 2.08 -0.03 0.00 0.00 -0.70 -4.61 121.76 120.30 3hfg s ALA 236 Ca 0.29 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 3hfg s ALA 236 Cb -0.16 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3hfg s ALA 236 CO 0.11 -1.99 1.04 -1.25 0.00 0.00 0.00 175.76 173.67 3hfg s PRO 237 N -4.84 4.48 0.43 0.00 0.04 -1.26 -0.89 135.00 132.96 3hfg s PRO 237 Ca 0.62 1.49 0.11 0.00 0.04 0.00 0.00 61.00 63.27 3hfg s PRO 237 Cb -0.18 -3.48 0.95 0.00 0.04 0.00 0.00 34.50 31.82 3hfg s PRO 237 CO 0.56 -0.21 2.01 1.57 0.04 0.00 0.00 177.00 180.98 3hfg h LYS 238 N 6.97 0.20 0.51 4.56 2.10 -1.93 -1.89 116.57 127.10 3hfg h LYS 238 Ca -0.37 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.22 3hfg h LYS 238 Cb 1.19 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3hfg h LYS 238 CO 0.81 0.25 -0.24 1.05 -2.00 0.00 0.00 179.45 179.31 3hfg h GLU 239 N 0.20 -0.66 -0.82 0.07 9.09 -1.95 -1.95 114.58 118.56 3hfg h GLU 239 Ca 0.05 0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.49 3hfg h GLU 239 Cb 0.19 0.15 -0.04 0.00 -1.65 0.00 0.00 28.75 27.40 3hfg h GLU 239 CO 0.01 -0.38 0.46 0.93 0.05 0.00 0.00 179.01 180.07 3hfg h GLU 240 N -0.82 1.14 -0.47 1.06 3.07 -1.94 -2.65 114.58 113.97 3hfg h GLU 240 Ca -0.07 -0.13 0.09 0.00 -0.50 0.00 0.00 59.36 58.75 3hfg h GLU 240 Cb 0.58 -0.23 -0.08 0.00 -0.84 0.00 0.00 28.75 28.18 3hfg h GLU 240 CO 0.11 0.83 -0.06 0.00 -1.40 0.00 0.00 179.01 178.50 3hfg h ALA 242 N 1.44 0.62 -0.40 0.00 0.00 -1.01 -0.50 119.26 119.42 3hfg h ALA 242 Ca 0.23 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3hfg h ALA 242 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hfg h ALA 242 CO -0.44 -0.20 -0.00 1.25 0.00 0.00 0.00 179.25 179.86 3hfg h LEU 243 N 0.38 0.61 -0.41 0.00 5.85 -1.02 -0.00 115.31 120.72 3hfg h LEU 243 Ca 0.24 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3hfg h LEU 243 Cb 0.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hfg h LEU 243 CO -0.23 0.68 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.14 3hfg h GLU 244 N 0.61 0.78 -0.16 1.25 4.39 -0.44 0.17 114.58 121.18 3hfg h GLU 244 Ca 0.13 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.57 3hfg h GLU 244 Cb 0.39 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3hfg h GLU 244 CO 0.01 0.90 -0.05 0.82 -1.16 0.00 0.00 179.01 179.53 3hfg h ILE 245 N 0.59 0.81 -0.16 3.13 2.04 -0.56 -0.62 117.51 122.74 3hfg h ILE 245 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3hfg h ILE 245 Cb 0.60 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3hfg h ILE 245 CO 0.04 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.68 3hfg h ILE 246 N -0.02 1.10 -0.03 -0.67 2.04 -0.72 -2.36 117.51 116.85 3hfg h ILE 246 Ca 0.08 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3hfg h ILE 246 Cb 0.15 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3hfg h ILE 246 CO -0.18 0.09 -0.03 0.11 0.00 0.00 0.00 178.15 178.15 3hfg h LYS 247 N 0.16 -0.04 -0.52 2.37 1.57 -0.58 -0.45 116.57 119.07 3hfg h LYS 247 Ca 0.06 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 3hfg h LYS 247 Cb 0.07 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.28 3hfg h LYS 247 CO -0.01 -0.03 -0.30 0.78 -0.57 0.00 0.00 179.45 179.32 3hfg h GLY 248 N -0.04 -0.06 1.02 3.86 0.00 -0.98 0.22 103.07 107.09 3hfg h GLY 248 Ca 0.02 0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 3hfg h GLY 248 CO -0.05 -0.21 0.41 -1.33 0.00 0.00 0.00 176.54 175.35 3hfg h GLY 249 N -0.17 1.17 1.28 4.60 0.00 -1.24 -2.21 103.07 106.51 3hfg h GLY 249 Ca 0.22 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3hfg h GLY 249 CO -0.62 0.52 0.48 0.00 0.00 0.00 0.00 176.54 176.92 3hfg h ALA 250 N 1.21 1.50 -0.07 3.60 0.00 0.49 -0.62 119.26 125.37 3hfg h ALA 250 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hfg h ALA 250 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hfg h ALA 250 CO -0.04 0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.95 3hfg n LEU 251 N -4.43 1.38 -2.25 0.00 4.77 -0.09 -4.93 117.00 111.45 3hfg n LEU 251 Ca 0.08 -0.52 -0.20 0.00 -0.03 0.00 0.00 56.01 55.34 3hfg n LEU 251 Cb 0.04 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3hfg n LEU 251 CO 0.36 0.26 -0.25 0.54 -1.33 0.00 0.00 177.39 176.96 3hfg n ARG 252 N 0.10 -1.59 -0.85 3.23 1.74 -0.24 -4.98 116.66 114.07 3hfg n ARG 252 Ca 0.18 0.98 -0.30 0.00 -0.77 0.00 0.00 57.85 57.94 3hfg n ARG 252 Cb 0.31 -5.59 0.16 0.00 -1.02 0.00 0.00 32.46 26.33 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 -4.94 0.99 -0.13 5.56 -0.21 -0.96 -4.80 119.66 115.17 3hfg s GLN 253 Ca 0.00 1.28 -0.15 0.00 0.02 0.00 0.00 55.36 56.51 3hfg s GLN 253 Cb 0.00 -1.74 -0.13 0.00 1.00 0.00 0.00 33.01 32.14 3hfg s GLN 253 CO 0.00 -2.56 0.33 0.93 -2.12 0.00 0.00 175.29 171.87 3hfg h GLU 254 N -1.80 0.00 -6.03 2.91 5.08 -1.91 -3.35 114.58 109.49 3hfg h GLU 254 Ca -0.47 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.28 3hfg h GLU 254 Cb 1.27 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 3hfg h GLU 254 CO 0.46 0.50 -0.71 -1.21 -1.00 0.00 0.00 179.01 177.06 3hfg s GLU 255 N -1.95 1.78 -0.16 2.33 2.02 -1.26 -0.42 118.70 121.04 3hfg s GLU 255 Ca -0.11 -1.88 -0.04 0.00 0.02 0.00 0.00 54.97 52.95 3hfg s GLU 255 Cb -0.01 -1.73 0.08 0.00 0.10 0.00 0.00 34.13 32.57 3hfg s GLU 255 CO 0.36 0.20 0.24 0.08 0.02 0.00 0.00 175.26 176.16 3hfg s VAL 256 N -2.58 -0.36 -0.14 2.63 1.01 0.12 -4.88 120.40 116.20 3hfg s VAL 256 Ca 0.32 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3hfg s VAL 256 Cb -0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3hfg s VAL 256 CO 0.16 -0.03 0.07 -0.31 0.00 0.00 0.00 175.10 174.99 3hfg s TYR 257 N 2.37 3.32 -0.16 5.22 1.51 -1.26 0.12 117.35 128.46 3hfg s TYR 257 Ca 0.05 0.22 -0.04 0.00 -1.01 0.00 0.00 57.07 56.28 3hfg s TYR 257 Cb -0.14 -1.97 0.07 0.00 -0.11 0.00 0.00 41.96 39.81 3hfg s TYR 257 CO -0.10 0.38 0.13 -0.47 -1.11 0.00 0.00 175.55 174.38 3hfg s TYR 258 N -0.31 0.03 0.06 2.71 6.14 -0.61 -4.98 117.35 120.40 3hfg s TYR 258 Ca 0.09 -0.06 -0.10 0.00 0.64 0.00 0.00 57.07 57.63 3hfg s TYR 258 Cb -0.12 -0.56 0.01 0.00 0.42 0.00 0.00 41.96 41.71 3hfg s TYR 258 CO 0.02 -0.50 0.22 0.34 0.64 0.00 0.00 175.55 176.27 3hfg s ASP 259 N 2.20 0.03 0.13 4.32 -1.08 -1.26 -1.44 116.67 119.56 3hfg s ASP 259 Ca 0.04 -0.42 -0.31 0.00 -0.52 0.00 0.00 52.55 51.33 3hfg s ASP 259 Cb -0.15 0.32 -0.08 0.00 -1.46 0.00 0.00 42.92 41.54 3hfg s ASP 259 CO -0.09 -0.63 1.57 0.28 0.52 0.00 0.00 175.17 176.82 3hfg h SER 260 N 3.18 -1.50 -3.84 -0.34 0.02 -1.86 -3.42 113.55 105.79 3hfg h SER 260 Ca -0.33 0.19 -0.51 0.00 -0.84 0.00 0.00 61.79 60.30 3hfg h SER 260 Cb 1.20 0.60 0.03 0.00 0.14 0.00 0.00 62.40 64.37 3hfg h SER 260 CO 0.50 -0.45 0.52 -0.55 -1.14 0.00 0.00 176.83 175.71 3hfg s SER 261 N -4.87 7.08 0.39 3.07 0.15 -1.26 -4.93 113.70 113.33 3hfg s SER 261 Ca -0.15 2.38 0.21 0.00 0.70 0.00 0.00 55.95 59.09 3hfg s SER 261 Cb 0.09 -2.63 0.44 0.00 -1.71 0.00 0.00 66.02 62.21 3hfg s SER 261 CO 0.63 -0.29 1.63 -0.07 1.20 0.00 0.00 173.24 176.34 3hfg h LEU 262 N 3.59 0.00 -0.39 3.45 4.07 -2.02 -3.15 115.31 120.87 3hfg h LEU 262 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3hfg h LEU 262 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 3hfg h LEU 262 CO 0.66 0.22 0.00 0.79 -1.08 0.00 0.00 178.44 179.03 3hfg n TRP 263 N -3.20 0.61 -0.06 1.13 7.02 -1.26 -2.72 117.44 118.96 3hfg n TRP 263 Ca 0.02 0.22 -0.03 0.00 -1.02 0.00 0.00 57.50 56.70 3hfg n TRP 263 Cb 0.56 -0.86 -0.01 0.00 -2.42 0.00 0.00 31.31 28.58 3hfg n TRP 263 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3hfg h THR 264 N 0.00 0.01 -0.99 -0.99 2.02 -1.94 -3.33 112.91 107.70 3hfg h THR 264 Ca 0.00 -1.01 0.28 0.00 0.77 0.00 0.00 66.41 66.45 3hfg h THR 264 Cb 0.41 0.03 -0.18 0.00 -1.74 0.00 0.00 68.15 66.67 3hfg h THR 264 CO 0.00 0.00 0.05 0.35 0.37 0.00 0.00 175.52 176.29 3hfg n THR 265 N -4.68 -0.41 -0.34 3.16 -2.24 -1.21 -0.18 114.28 108.38 3hfg n THR 265 Ca -0.04 2.16 -0.04 0.00 -2.27 0.00 0.00 64.05 63.86 3hfg n THR 265 Cb 0.16 -3.18 0.09 0.00 -2.10 0.00 0.00 70.33 65.30 3hfg n THR 265 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3hfg h LEU 266 N 0.00 1.10 -0.21 3.22 4.07 -1.69 -2.96 115.31 118.84 3hfg h LEU 266 Ca 0.61 -0.08 -0.18 0.00 0.08 0.00 0.00 57.88 58.32 3hfg h LEU 266 Cb 1.29 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.73 3hfg h LEU 266 CO -0.92 0.86 -0.85 -0.07 -1.08 0.00 0.00 178.44 176.37 3hfg h LEU 267 N 1.25 0.00 -1.26 1.67 3.38 -0.67 -3.30 115.31 116.38 3hfg h LEU 267 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3hfg h LEU 267 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hfg h LEU 267 CO -0.06 0.85 0.21 0.40 0.09 0.00 0.00 178.44 179.94 3hfg h ILE 268 N 0.00 1.18 -3.69 1.22 2.04 -1.12 -3.42 117.51 113.73 3hfg h ILE 268 Ca -0.01 -0.56 -0.55 0.00 1.00 0.00 0.00 64.86 64.75 3hfg h ILE 268 Cb 1.55 0.56 0.11 0.00 -0.74 0.00 0.00 36.82 38.30 3hfg h ILE 268 CO 0.11 0.22 0.74 -1.14 0.00 0.00 0.00 178.15 178.09 3hfg n ARG 269 N -4.35 2.58 -3.79 2.37 0.63 -1.24 -4.99 116.66 107.87 3hfg n ARG 269 Ca 0.04 0.91 -0.30 0.00 -0.92 0.00 0.00 57.85 57.58 3hfg n ARG 269 Cb 0.15 -2.62 -0.14 0.00 0.45 0.00 0.00 32.46 30.29 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 -0.05 4.06 0.23 6.15 3.84 -1.26 -5.00 114.94 122.91 3hfg s ASN 270 Ca 0.56 -2.08 0.07 0.00 0.21 0.00 0.00 52.86 51.61 3hfg s ASN 270 Cb -0.50 -1.08 0.23 0.00 -0.55 0.00 0.00 41.25 39.35 3hfg s ASN 270 CO 0.61 -0.36 1.54 -0.65 -2.79 0.00 0.00 177.10 175.45 3hfg h PRO 271 N 7.53 0.12 0.14 0.43 0.11 -1.97 -3.22 132.00 135.13 3hfg h PRO 271 Ca -0.08 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 3hfg h PRO 271 Cb 0.98 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hfg h PRO 271 CO 0.49 0.74 -0.07 0.77 -0.21 0.00 0.00 178.00 179.73 3hfg h SER 272 N 0.08 -0.16 -0.72 -2.05 0.02 -2.00 -2.82 113.55 105.91 3hfg h SER 272 Ca -0.01 -0.15 0.13 0.00 -0.84 0.00 0.00 61.79 60.92 3hfg h SER 272 Cb 1.20 0.04 -0.13 0.00 0.14 0.00 0.00 62.40 63.65 3hfg h SER 272 CO 0.10 0.06 -0.31 -0.09 -1.14 0.00 0.00 176.83 175.44 3hfg h ARG 273 N -0.37 -0.09 -0.96 3.45 2.43 -1.99 0.28 114.38 117.13 3hfg h ARG 273 Ca -0.02 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.30 3hfg h ARG 273 Cb 0.29 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 3hfg h ARG 273 CO 0.03 -0.06 0.61 0.87 -1.51 0.00 0.00 179.97 179.91 3hfg h LYS 274 N -0.09 0.80 -0.26 0.20 1.57 -1.56 0.21 116.57 117.45 3hfg h LYS 274 Ca 0.29 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3hfg h LYS 274 Cb 0.57 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hfg h LYS 274 CO -0.77 0.53 -0.26 0.82 -0.57 0.00 0.00 179.45 179.20 3hfg h ILE 275 N 0.83 1.31 -0.53 1.86 2.04 -0.27 -1.87 117.51 120.88 3hfg h ILE 275 Ca 0.50 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 3hfg h ILE 275 Cb 0.67 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 3hfg h ILE 275 CO -0.26 0.45 0.16 -0.07 0.00 0.00 0.00 178.15 178.43 3hfg h LEU 276 N 0.36 0.77 -0.74 1.44 4.07 -0.49 -0.06 115.31 120.66 3hfg h LEU 276 Ca 0.04 -0.21 0.06 0.00 0.08 0.00 0.00 57.88 57.85 3hfg h LEU 276 Cb 0.82 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.30 3hfg h LEU 276 CO 0.06 0.78 0.44 -0.33 -1.08 0.00 0.00 178.44 178.31 3hfg h GLU 277 N 0.73 0.78 -0.19 1.13 5.08 -0.47 -2.01 114.58 119.63 3hfg h GLU 277 Ca 0.17 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 3hfg h GLU 277 Cb 0.28 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.36 3hfg h GLU 277 CO -0.01 0.52 -0.70 0.35 -1.00 0.00 0.00 179.01 178.17 3hfg h PHE 278 N 0.80 1.02 -0.89 4.33 3.57 -1.23 -2.76 116.94 121.78 3hfg h PHE 278 Ca 0.32 -0.42 0.03 0.00 3.53 0.00 0.00 57.97 61.43 3hfg h PHE 278 Cb 0.17 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3hfg h PHE 278 CO -0.06 1.24 0.58 1.25 -2.23 0.00 0.00 178.31 179.09 3hfg h LEU 279 N 0.55 0.97 -3.02 0.59 6.46 -0.30 -1.87 115.31 118.69 3hfg h LEU 279 Ca -0.03 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3hfg h LEU 279 Cb 1.31 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 3hfg h LEU 279 CO 0.14 0.68 0.00 -1.22 -0.62 0.00 0.00 178.44 177.42 3hfg n TYR 280 N -4.51 1.01 0.08 1.25 4.02 -0.89 -4.22 117.16 113.90 3hfg n TYR 280 Ca 0.11 -0.60 -0.16 0.00 -0.01 0.00 0.00 57.90 57.24 3hfg n TYR 280 Cb 0.07 -0.15 -0.14 0.00 -0.02 0.00 0.00 39.34 39.10 3hfg n TYR 280 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3hfg h SER 281 N 3.11 0.38 -1.18 7.72 0.02 -1.03 -3.33 113.55 119.25 3hfg h SER 281 Ca 0.00 -0.46 0.38 0.00 -0.84 0.00 0.00 61.79 60.87 3hfg h SER 281 Cb 1.16 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.49 3hfg h SER 281 CO 0.12 1.37 0.80 0.35 -1.14 0.00 0.00 176.83 178.33 3hfg n THR 282 N -3.48 -0.12 1.99 -2.27 -2.24 -1.19 -5.09 114.28 101.88 3hfg n THR 282 Ca -0.12 1.24 0.16 0.00 -2.27 0.00 0.00 64.05 63.06 3hfg n THR 282 Cb 1.03 -2.04 0.94 0.00 -2.10 0.00 0.00 70.33 68.16 3hfg n THR 282 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30