#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfg s GLU 26 N 0.00 -1.99 -0.18 3.49 4.04 -1.26 -4.99 118.70 117.81 3hfg s GLU 26 Ca 0.00 0.26 -0.12 0.00 0.04 0.00 0.00 54.97 55.15 3hfg s GLU 26 Cb 0.00 -1.48 -0.05 0.00 0.02 0.00 0.00 34.13 32.62 3hfg s GLU 26 CO 0.00 -4.29 0.21 0.12 -1.84 0.00 0.00 175.26 169.46 3hfg s PHE 27 N -2.51 3.43 -0.20 4.83 5.36 -1.26 -5.07 117.98 122.57 3hfg s PHE 27 Ca 0.69 0.45 0.01 0.00 -0.96 0.00 0.00 56.93 57.13 3hfg s PHE 27 Cb -0.15 -2.25 0.03 0.00 -0.34 0.00 0.00 43.02 40.30 3hfg s PHE 27 CO 0.59 0.26 -0.17 1.03 -1.46 0.00 0.00 175.22 175.46 3hfg s ARG 28 N 0.44 2.73 0.00 10.12 0.52 -1.26 -5.00 118.95 126.50 3hfg s ARG 28 Ca 0.12 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3hfg s ARG 28 Cb -0.12 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.75 3hfg s ARG 28 CO 0.01 -0.30 0.63 -2.30 0.02 0.00 0.00 175.30 173.35 3hfg n PRO 29 N 4.59 0.00 0.05 3.54 -0.02 -1.26 -0.11 135.00 141.79 3hfg n PRO 29 Ca -0.19 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.58 3hfg n PRO 29 Cb 0.48 -1.78 0.36 0.00 -0.02 0.00 0.00 33.50 32.55 3hfg n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hfg n GLU 30 N -1.13 0.16 0.22 -0.52 4.71 -1.26 -3.59 120.64 119.23 3hfg n GLU 30 Ca 0.00 0.09 0.10 0.00 -0.01 0.00 0.00 57.16 57.33 3hfg n GLU 30 Cb 0.28 -1.64 0.64 0.00 -1.01 0.00 0.00 31.44 29.70 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 0.02 -0.47 3.49 2.86 -0.90 -2.48 114.93 117.44 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 0.64 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3hfg h MET 31 CO 0.00 0.01 0.00 1.28 1.06 0.00 0.00 176.91 179.26 3hfg n LEU 32 N -4.52 4.64 -4.63 1.22 4.77 -1.24 -4.85 117.00 112.41 3hfg n LEU 32 Ca -0.01 -2.76 -0.43 0.00 -0.03 0.00 0.00 56.01 52.78 3hfg n LEU 32 Cb 0.16 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 3hfg n LEU 32 CO 0.34 0.70 0.84 -1.58 -1.33 0.00 0.00 177.39 176.37 3hfg s GLN 33 N -2.41 3.99 -0.00 3.23 0.74 -0.94 -3.14 119.66 121.13 3hfg s GLN 33 Ca 0.47 0.86 0.00 0.00 0.05 0.00 0.00 55.36 56.74 3hfg s GLN 33 Cb 0.34 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.70 3hfg s GLN 33 CO 0.16 -0.87 0.00 0.41 -0.55 0.00 0.00 175.29 174.43 3hfg n GLY 34 N 4.06 0.49 3.72 2.59 0.00 -0.29 -4.95 105.19 110.81 3hfg n GLY 34 Ca 0.09 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.12 4.60 -0.26 1.61 -0.14 -1.19 -4.71 119.74 119.53 3hfg s LYS 35 Ca 0.00 1.40 -0.26 0.00 -1.36 0.00 0.00 55.97 55.75 3hfg s LYS 35 Cb 0.00 -3.43 0.00 0.00 -1.68 0.00 0.00 37.83 32.72 3hfg s LYS 35 CO 0.00 0.05 0.90 -1.59 -0.76 0.00 0.00 175.35 173.95 3hfg s LYS 36 N 0.65 4.14 -0.04 1.68 -2.85 -1.26 -1.14 119.74 120.93 3hfg s LYS 36 Ca 0.50 0.98 0.01 0.00 -1.00 0.00 0.00 55.97 56.46 3hfg s LYS 36 Cb -0.22 -3.67 0.02 0.00 -2.06 0.00 0.00 37.83 31.90 3hfg s LYS 36 CO 0.28 -0.62 -0.06 0.08 0.10 0.00 0.00 175.35 175.13 3hfg s VAL 37 N 3.05 0.60 0.06 1.79 1.01 -0.06 -0.85 120.40 125.99 3hfg s VAL 37 Ca 0.38 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 3hfg s VAL 37 Cb -0.15 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 3hfg s VAL 37 CO 0.09 0.23 0.40 -0.63 0.00 0.00 0.00 175.10 175.18 3hfg s ILE 38 N 0.74 5.09 -0.32 2.22 1.01 -0.82 -1.22 121.20 127.90 3hfg s ILE 38 Ca -0.10 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 3hfg s ILE 38 Cb -0.13 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.81 3hfg s ILE 38 CO 0.01 0.34 0.17 -0.69 0.00 0.00 0.00 174.94 174.77 3hfg s VAL 39 N -1.34 0.04 0.77 2.92 1.01 -0.69 -1.39 120.40 121.73 3hfg s VAL 39 Ca 0.31 -1.23 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 3hfg s VAL 39 Cb -0.14 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.24 3hfg s VAL 39 CO 0.17 -0.86 1.10 0.42 0.00 0.00 0.00 175.10 175.94 3hfg s THR 40 N 1.59 3.10 -1.32 3.92 -4.23 -0.69 -2.48 115.64 115.53 3hfg s THR 40 Ca 0.13 0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 60.78 3hfg s THR 40 Cb -0.19 -3.20 0.03 0.00 1.34 0.00 0.00 72.50 70.47 3hfg s THR 40 CO -0.18 -0.47 0.48 0.61 -0.54 0.00 0.00 174.62 174.52 3hfg n GLY 41 N -2.47 -0.61 0.48 3.99 0.00 -0.92 -3.87 105.19 101.78 3hfg n GLY 41 Ca 0.07 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.84 2.56 0.28 4.61 0.00 -0.88 -3.75 120.51 118.49 3hfg n ALA 42 Ca -0.18 -2.25 0.12 0.00 0.00 0.00 0.00 53.44 51.12 3hfg n ALA 42 Cb 0.61 -0.51 0.21 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.81 3.44 -3.71 0.00 3.41 -1.26 -3.50 113.62 111.19 3hfg n SER 43 Ca 0.17 -1.98 -0.03 0.00 -0.26 0.00 0.00 58.87 56.76 3hfg n SER 43 Cb 0.71 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 3hfg n SER 43 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hfg s LYS 44 N -1.45 1.20 0.00 4.33 2.20 -1.26 -4.88 119.74 119.88 3hfg s LYS 44 Ca 0.38 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 3hfg s LYS 44 Cb 0.22 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.95 3hfg s LYS 44 CO 0.31 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 3hfg n GLY 45 N -0.49 1.01 0.40 5.54 0.00 -1.26 -1.83 105.19 108.56 3hfg n GLY 45 Ca -0.06 -0.32 0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 0.72 -0.32 -0.61 2.04 -1.90 -0.89 117.51 116.55 3hfg h ILE 46 Ca 0.00 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3hfg h ILE 46 Cb 0.00 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3hfg h ILE 46 CO 0.00 0.07 -0.38 1.23 0.00 0.00 0.00 178.15 179.07 3hfg h GLY 47 N 0.36 0.83 1.01 5.37 0.00 -1.58 -1.71 103.07 107.35 3hfg h GLY 47 Ca 0.41 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3hfg h GLY 47 CO -0.13 0.75 0.39 -0.09 0.00 0.00 0.00 176.54 177.45 3hfg h ARG 48 N 0.63 1.06 0.00 4.80 2.43 -0.40 -2.99 114.38 119.91 3hfg h ARG 48 Ca 0.06 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3hfg h ARG 48 Cb 0.93 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3hfg h ARG 48 CO 0.08 0.81 -0.46 0.93 -1.51 0.00 0.00 179.97 179.82 3hfg h GLU 49 N 1.04 0.00 0.00 0.20 4.39 -1.09 -2.56 114.58 116.56 3hfg h GLU 49 Ca 0.26 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 3hfg h GLU 49 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3hfg h GLU 49 CO -0.04 0.46 -0.30 0.52 -1.16 0.00 0.00 179.01 178.49 3hfg h MET 50 N 0.00 0.00 0.28 2.33 2.86 -1.18 -2.23 114.93 117.00 3hfg h MET 50 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3hfg h MET 50 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3hfg h MET 50 CO 0.06 0.30 -0.14 0.00 1.06 0.00 0.00 176.91 178.19 3hfg h ALA 51 N 1.70 -0.38 -1.09 6.32 0.00 -1.37 -1.90 119.26 122.54 3hfg h ALA 51 Ca -0.00 -0.19 0.31 0.00 0.00 0.00 0.00 54.91 55.03 3hfg h ALA 51 Cb 0.79 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3hfg h ALA 51 CO 0.04 -0.44 0.85 1.88 0.00 0.00 0.00 179.25 181.58 3hfg h TYR 52 N -0.92 0.00 0.16 0.00 -1.99 -1.37 0.66 116.97 113.50 3hfg h TYR 52 Ca -0.04 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.36 3hfg h TYR 52 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.24 3hfg h TYR 52 CO 0.05 0.00 -1.63 0.45 -0.00 0.00 0.00 178.16 177.03 3hfg h HIS 53 N 0.00 0.61 0.00 4.88 3.86 -1.40 -3.13 115.15 119.98 3hfg h HIS 53 Ca 0.52 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3hfg h HIS 53 Cb 2.21 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.66 3hfg h HIS 53 CO 0.00 1.53 0.00 1.28 0.86 0.00 0.00 177.93 181.60 3hfg n LEU 54 N -3.53 0.44 -0.02 2.43 4.77 0.79 -2.75 117.00 119.12 3hfg n LEU 54 Ca -0.20 0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 56.28 3hfg n LEU 54 Cb 1.06 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 3hfg n LEU 54 CO 0.52 -0.30 0.25 0.00 -1.33 0.00 0.00 177.39 176.53 3hfg h ALA 55 N 2.51 -0.07 0.00 -1.18 0.00 0.09 -1.82 119.26 118.79 3hfg h ALA 55 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3hfg h ALA 55 Cb 0.46 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hfg h ALA 55 CO 0.00 -0.09 -0.06 0.87 0.00 0.00 0.00 179.25 179.97 3hfg h LYS 56 N -0.97 0.00 -0.22 0.00 1.57 -1.54 -1.61 116.57 113.81 3hfg h LYS 56 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hfg h LYS 56 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hfg h LYS 56 CO 0.01 0.06 0.00 -1.33 -0.57 0.00 0.00 179.45 177.62 3hfg n MET 57 N -3.64 1.78 -2.88 3.15 2.81 -1.11 -4.88 117.12 112.36 3hfg n MET 57 Ca -0.02 -1.18 -0.15 0.00 -1.81 0.00 0.00 57.70 54.54 3hfg n MET 57 Cb 0.17 -1.38 0.03 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.13 -0.07 3.93 3.03 0.00 -0.65 -3.62 105.19 108.94 3hfg n GLY 58 Ca 0.15 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.02 3.67 -0.59 4.61 0.00 -0.69 -1.13 121.76 124.61 3hfg s ALA 59 Ca 0.25 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 3hfg s ALA 59 Cb -0.11 -2.17 0.04 0.00 0.00 0.00 0.00 23.12 20.88 3hfg s ALA 59 CO 0.31 0.01 1.03 -1.01 0.00 0.00 0.00 175.76 176.09 3hfg s HIS 60 N -2.30 2.68 -0.19 0.00 3.76 -0.29 -2.39 115.29 116.55 3hfg s HIS 60 Ca 0.41 -0.00 -0.09 0.00 -0.15 0.00 0.00 55.06 55.22 3hfg s HIS 60 Cb -0.10 -4.25 -0.05 0.00 1.11 0.00 0.00 32.58 29.29 3hfg s HIS 60 CO 0.36 -1.52 0.12 0.14 -0.85 0.00 0.00 174.74 172.99 3hfg s VAL 61 N 4.36 5.31 -0.37 -0.90 -7.23 -1.26 -0.89 120.40 119.42 3hfg s VAL 61 Ca 0.32 0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 60.62 3hfg s VAL 61 Cb -0.12 -3.41 0.09 0.00 0.56 0.00 0.00 36.38 33.50 3hfg s VAL 61 CO 0.19 0.45 0.13 -0.69 -0.31 0.00 0.00 175.10 174.86 3hfg s VAL 62 N 0.30 3.14 0.50 1.32 1.01 -0.36 -2.86 120.40 123.45 3hfg s VAL 62 Ca 0.07 -1.84 -0.07 0.00 0.00 0.00 0.00 61.98 60.15 3hfg s VAL 62 Cb -0.11 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3hfg s VAL 62 CO -0.01 -0.49 0.83 0.68 0.00 0.00 0.00 175.10 176.10 3hfg s VAL 63 N 1.17 4.87 0.05 2.92 -7.23 -0.99 -1.71 120.40 119.47 3hfg s VAL 63 Ca 0.04 0.35 -0.19 0.00 -1.81 0.00 0.00 61.98 60.37 3hfg s VAL 63 Cb -0.21 -3.86 0.04 0.00 0.56 0.00 0.00 36.38 32.91 3hfg s VAL 63 CO -0.03 -0.87 0.43 0.28 -0.31 0.00 0.00 175.10 174.59 3hfg s THR 64 N -2.78 0.05 0.00 5.32 -1.32 -1.04 -3.23 115.64 112.65 3hfg s THR 64 Ca 0.49 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 3hfg s THR 64 Cb -0.10 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 3hfg s THR 64 CO 0.45 -0.24 0.00 0.00 -2.21 0.00 0.00 174.62 172.63 3hfg n ALA 65 N 0.47 0.00 -0.10 11.08 0.00 -1.24 -2.07 120.51 128.65 3hfg n ALA 65 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 3hfg n ALA 65 Cb 0.60 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.68 0.00 1.74 -1.11 0.22 116.66 115.50 3hfg n ARG 66 Ca 0.00 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 3hfg n ARG 66 Cb 0.00 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 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 -6.03 6.20 0.14 0.55 0.01 -1.26 -4.41 113.70 108.90 3hfg s SER 67 Ca -0.20 -0.78 -0.14 0.00 1.31 0.00 0.00 55.95 56.14 3hfg s SER 67 Cb 0.07 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.81 3hfg s SER 67 CO 0.74 -1.64 1.64 0.07 0.41 0.00 0.00 173.24 174.46 3hfg h LYS 68 N 9.79 0.72 -0.77 12.44 2.10 -1.97 -1.60 116.57 137.29 3hfg h LYS 68 Ca -0.24 -0.18 0.10 0.00 -2.00 0.00 0.00 60.65 58.34 3hfg h LYS 68 Cb 1.05 -0.09 -0.08 0.00 -0.90 0.00 0.00 32.23 32.22 3hfg h LYS 68 CO 1.25 0.73 0.41 0.93 -2.00 0.00 0.00 179.45 180.76 3hfg h GLU 69 N 0.59 0.66 0.01 0.07 4.39 -2.01 -0.86 114.58 117.43 3hfg h GLU 69 Ca 0.14 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 3hfg h GLU 69 Cb 0.34 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3hfg h GLU 69 CO 0.00 0.43 -0.90 1.79 -1.16 0.00 0.00 179.01 179.18 3hfg h THR 70 N 0.67 1.59 -0.32 1.13 1.35 -1.93 -3.13 112.91 112.27 3hfg h THR 70 Ca 0.38 -2.91 0.06 0.00 -0.55 0.00 0.00 66.41 63.39 3hfg h THR 70 Cb 0.41 2.60 -0.05 0.00 -1.73 0.00 0.00 68.15 69.38 3hfg h THR 70 CO -0.27 0.84 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.76 3hfg h LEU 71 N 0.03 -0.13 0.13 3.87 3.38 -0.17 -1.72 115.31 120.71 3hfg h LEU 71 Ca -0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hfg h LEU 71 Cb 1.57 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 3hfg h LEU 71 CO 0.13 -0.03 -0.09 1.56 0.09 0.00 0.00 178.44 180.09 3hfg h GLN 72 N 0.09 -0.22 -0.97 1.13 4.20 -1.31 -0.82 115.11 117.21 3hfg h GLN 72 Ca 0.16 0.01 0.23 0.00 0.06 0.00 0.00 58.65 59.11 3hfg h GLN 72 Cb 0.21 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.92 3hfg h GLN 72 CO -0.26 -0.15 0.54 -0.22 -0.67 0.00 0.00 178.83 178.07 3hfg h LYS 73 N -0.23 0.53 -0.56 1.46 3.64 -1.44 0.69 116.57 120.66 3hfg h LYS 73 Ca -0.01 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3hfg h LYS 73 Cb 0.20 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3hfg h LYS 73 CO 0.00 0.35 0.05 0.28 -2.27 0.00 0.00 179.45 177.86 3hfg h VAL 74 N 0.55 1.26 -0.43 2.00 2.07 -0.75 -2.88 116.25 118.07 3hfg h VAL 74 Ca 0.61 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 3hfg h VAL 74 Cb 1.14 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3hfg h VAL 74 CO -0.48 0.37 -0.04 -0.37 0.02 0.00 0.00 177.57 177.07 3hfg h VAL 75 N 0.84 1.27 -0.71 2.57 -1.51 0.16 -1.34 116.25 117.52 3hfg h VAL 75 Ca 0.16 -1.11 -0.00 0.00 -1.23 0.00 0.00 66.70 64.52 3hfg h VAL 75 Cb 0.47 1.12 -0.03 0.00 -2.13 0.00 0.00 31.29 30.72 3hfg h VAL 75 CO 0.02 0.38 0.43 0.77 -1.23 0.00 0.00 177.57 177.93 3hfg h SER 76 N 0.62 0.84 0.51 4.19 4.64 -0.44 -2.60 113.55 121.32 3hfg h SER 76 Ca 0.12 -0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.18 3hfg h SER 76 Cb 0.56 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3hfg h SER 76 CO 0.03 0.65 -0.94 -0.74 -0.87 0.00 0.00 176.83 174.95 3hfg h HIS 77 N 0.97 0.42 -0.69 4.77 6.17 -1.32 -3.24 115.15 122.22 3hfg h HIS 77 Ca 0.25 -0.24 0.14 0.00 0.71 0.00 0.00 60.37 61.24 3hfg h HIS 77 Cb -0.04 -0.04 -0.10 0.00 2.52 0.00 0.00 27.41 29.75 3hfg h HIS 77 CO 0.00 1.07 0.18 0.00 0.71 0.00 0.00 177.93 179.90 3hfg h LEU 79 N 0.30 0.78 -1.25 0.00 3.38 -1.57 -1.57 115.31 115.37 3hfg h LEU 79 Ca 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hfg h LEU 79 Cb 0.60 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3hfg h LEU 79 CO -0.45 0.70 0.44 -0.33 0.09 0.00 0.00 178.44 178.89 3hfg h GLU 80 N 0.80 0.94 0.00 1.13 5.08 -1.31 0.27 114.58 121.50 3hfg h GLU 80 Ca 0.20 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hfg h GLU 80 Cb 0.14 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3hfg h GLU 80 CO -0.02 0.65 0.00 -0.07 -1.00 0.00 0.00 179.01 178.57 3hfg h LEU 81 N 0.97 0.00 0.00 1.33 3.38 -1.17 -3.46 115.31 116.36 3hfg h LEU 81 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3hfg h LEU 81 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hfg h LEU 81 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 3hfg n GLY 82 N 0.33 1.98 3.74 0.83 0.00 0.08 -3.79 105.19 108.36 3hfg n GLY 82 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.39 0.04 4.61 0.00 -0.61 -3.81 121.76 123.37 3hfg s ALA 83 Ca 0.00 0.85 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 3hfg s ALA 83 Cb 0.00 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3hfg s ALA 83 CO 0.00 -0.25 1.26 0.00 0.00 0.00 0.00 175.76 176.77 3hfg h ALA 84 N 5.14 -0.93 -4.78 0.00 0.00 -1.63 -3.43 119.26 113.63 3hfg h ALA 84 Ca -0.44 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 3hfg h ALA 84 Cb 1.21 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3hfg h ALA 84 CO 0.73 -0.95 -0.07 0.43 0.00 0.00 0.00 179.25 179.39 3hfg n SER 85 N -3.81 1.32 -3.15 0.00 7.64 -1.25 -4.97 113.62 109.40 3hfg n SER 85 Ca -0.06 -1.65 0.06 0.00 1.01 0.00 0.00 58.87 58.24 3hfg n SER 85 Cb 0.22 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3hfg n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hfg s ALA 86 N -2.28 -4.38 0.12 -0.43 0.00 -1.25 -4.21 121.76 109.33 3hfg s ALA 86 Ca 0.15 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.55 3hfg s ALA 86 Cb -0.01 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 3hfg s ALA 86 CO 0.10 -2.05 -0.08 -1.01 0.00 0.00 0.00 175.76 172.72 3hfg s HIS 87 N 2.99 1.08 0.10 0.00 3.76 -1.14 -4.98 115.29 117.10 3hfg s HIS 87 Ca 0.25 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.34 3hfg s HIS 87 Cb -0.01 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 3hfg s HIS 87 CO -0.19 -0.04 -0.07 1.52 -0.85 0.00 0.00 174.74 175.11 3hfg s TYR 88 N -3.48 0.90 -0.16 1.40 -0.85 -1.26 -2.34 117.35 111.56 3hfg s TYR 88 Ca 0.14 -0.89 -0.05 0.00 -0.52 0.00 0.00 57.07 55.76 3hfg s TYR 88 Cb 0.04 -0.52 0.08 0.00 0.38 0.00 0.00 41.96 41.94 3hfg s TYR 88 CO -0.02 -0.13 0.29 0.42 -1.52 0.00 0.00 175.55 174.58 3hfg s ILE 89 N -3.51 -0.45 0.45 -3.49 1.01 -1.20 -5.01 121.20 108.99 3hfg s ILE 89 Ca 0.11 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.73 3hfg s ILE 89 Cb 0.04 -0.55 -0.10 0.00 0.01 0.00 0.00 42.46 41.87 3hfg s ILE 89 CO -0.04 0.04 0.97 0.00 0.00 0.00 0.00 174.94 175.90 3hfg s ALA 90 N 2.44 3.01 0.00 9.38 0.00 -1.26 -3.69 121.76 131.64 3hfg s ALA 90 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3hfg s ALA 90 Cb -0.13 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3hfg s ALA 90 CO -0.10 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3hfg n GLY 91 N -0.62 1.10 3.30 0.00 0.00 0.13 -4.95 105.19 104.16 3hfg n GLY 91 Ca 0.07 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 3hfg n GLY 91 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hfg s THR 92 N -2.00 2.93 -2.00 2.61 -1.32 -1.26 -2.74 115.64 111.86 3hfg s THR 92 Ca 0.00 -0.68 0.19 0.00 -1.21 0.00 0.00 61.69 59.99 3hfg s THR 92 Cb 0.00 -2.26 0.53 0.00 -1.51 0.00 0.00 72.50 69.26 3hfg s THR 92 CO 0.00 0.50 1.53 0.23 -2.21 0.00 0.00 174.62 174.67 3hfg n MET 93 N 4.07 0.66 -0.19 7.08 0.00 -1.26 -0.42 117.12 127.06 3hfg n MET 93 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.46 3hfg n MET 93 Cb 0.52 -1.44 0.11 0.00 0.00 0.00 0.00 33.22 32.41 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 0.98 -6.34 0.03 5.08 -1.93 -3.39 114.58 109.01 3hfg h GLU 94 Ca 0.00 -0.24 -0.54 0.00 -1.00 0.00 0.00 59.36 57.58 3hfg h GLU 94 Cb 0.00 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.04 3hfg h GLU 94 CO 0.00 0.89 1.07 0.34 -1.00 0.00 0.00 179.01 180.32 3hfg s ASP 95 N -6.54 6.18 0.12 1.42 -1.08 0.44 -4.87 116.67 112.33 3hfg s ASP 95 Ca -0.11 -0.50 -0.20 0.00 -0.52 0.00 0.00 52.55 51.22 3hfg s ASP 95 Cb 0.15 -2.56 -0.08 0.00 -1.46 0.00 0.00 42.92 38.97 3hfg s ASP 95 CO 0.83 -1.82 1.77 0.24 0.52 0.00 0.00 175.17 176.71 3hfg h MET 96 N 10.01 0.22 -0.65 4.34 2.86 -1.82 -0.88 114.93 129.01 3hfg h MET 96 Ca -0.26 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.46 3hfg h MET 96 Cb 1.05 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.55 3hfg h MET 96 CO 1.29 0.14 -0.43 1.15 1.06 0.00 0.00 176.91 180.12 3hfg h THR 97 N 0.23 0.08 -0.27 2.22 2.02 -1.94 0.15 112.91 115.39 3hfg h THR 97 Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.31 3hfg h THR 97 Cb -0.02 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.40 3hfg h THR 97 CO -0.02 0.00 -0.20 0.15 0.37 0.00 0.00 175.52 175.82 3hfg h PHE 98 N -0.18 -0.52 -0.50 3.16 3.57 -1.76 -2.24 116.94 118.47 3hfg h PHE 98 Ca 0.20 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.81 3hfg h PHE 98 Cb 0.56 0.27 -0.10 0.00 2.79 0.00 0.00 35.95 39.47 3hfg h PHE 98 CO -0.74 -0.28 -0.47 0.00 -2.23 0.00 0.00 178.31 174.59 3hfg h ALA 99 N 0.94 -0.48 -0.40 2.41 0.00 0.65 0.31 119.26 122.70 3hfg h ALA 99 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hfg h ALA 99 Cb 0.41 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3hfg h ALA 99 CO -0.38 -0.90 0.25 1.49 0.00 0.00 0.00 179.25 179.71 3hfg h GLU 100 N -0.30 0.53 0.20 0.00 4.81 -0.86 -2.95 114.58 116.02 3hfg h GLU 100 Ca 0.14 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 59.00 3hfg h GLU 100 Cb 0.58 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.86 3hfg h GLU 100 CO -0.64 0.36 -1.59 1.96 -0.73 0.00 0.00 179.01 178.37 3hfg h GLN 101 N 0.54 0.43 -0.08 1.92 4.20 -0.59 -3.22 115.11 118.31 3hfg h GLN 101 Ca 0.14 -0.73 0.02 0.00 0.06 0.00 0.00 58.65 58.15 3hfg h GLN 101 Cb -0.04 0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3hfg h GLN 101 CO -0.03 1.34 0.31 0.35 -0.67 0.00 0.00 178.83 180.13 3hfg h PHE 102 N 0.12 0.00 0.03 2.96 3.57 -0.27 -1.45 116.94 121.89 3hfg h PHE 102 Ca -0.29 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.05 3hfg h PHE 102 Cb 2.11 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.84 3hfg h PHE 102 CO 0.11 0.00 -0.90 0.28 -2.23 0.00 0.00 178.31 175.57 3hfg h VAL 103 N 0.00 1.22 -0.00 1.41 2.07 -1.56 -2.82 116.25 116.56 3hfg h VAL 103 Ca 0.04 -2.28 0.03 0.00 0.82 0.00 0.00 66.70 65.31 3hfg h VAL 103 Cb 0.66 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 3hfg h VAL 103 CO -0.00 0.49 -0.24 0.00 0.02 0.00 0.00 177.57 177.84 3hfg h ALA 104 N -0.24 -0.32 0.00 1.67 0.00 -1.49 0.10 119.26 118.98 3hfg h ALA 104 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hfg h ALA 104 Cb 1.31 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3hfg h ALA 104 CO -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.42 3hfg n GLN 105 N -5.36 0.76 -0.09 0.00 10.64 -0.59 -0.99 117.38 121.75 3hfg n GLN 105 Ca -0.05 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.99 3hfg n GLN 105 Cb 0.28 -1.17 -0.08 0.00 -0.86 0.00 0.00 30.24 28.40 3hfg n GLN 105 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hfg n ALA 106 N -0.22 1.61 1.33 2.61 0.00 -0.10 -4.22 120.51 121.52 3hfg n ALA 106 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3hfg n ALA 106 Cb 0.09 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3hfg n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfg n GLY 107 N 2.55 0.30 0.40 0.00 0.00 0.17 -2.87 105.19 105.74 3hfg n GLY 107 Ca -0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 3hfg n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hfg n LYS 108 N -0.21 0.24 0.25 1.61 4.81 -0.87 -3.93 118.16 120.06 3hfg n LYS 108 Ca 0.00 0.08 0.08 0.00 -0.87 0.00 0.00 58.31 57.60 3hfg n LYS 108 Cb 0.12 -1.02 0.61 0.00 0.02 0.00 0.00 35.03 34.76 3hfg n LYS 108 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3hfg h LEU 109 N -0.22 0.00 0.00 3.14 4.07 -1.70 -3.11 115.31 117.49 3hfg h LEU 109 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.71 3hfg h LEU 109 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 3hfg h LEU 109 CO -0.11 0.06 -1.35 0.23 -1.08 0.00 0.00 178.44 176.20 3hfg n MET 110 N -4.41 1.01 -0.51 1.13 2.81 -1.14 -4.99 117.12 111.03 3hfg n MET 110 Ca -0.03 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 3hfg n MET 110 Cb 0.14 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.50 1.25 0.00 3.03 0.00 -1.18 -4.93 105.19 104.86 3hfg n GLY 111 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 -1.78 3.22 -0.02 0.00 -1.25 -4.98 105.19 98.38 3hfg n GLY 112 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.49 -0.06 0.99 2.96 -1.26 -4.73 118.68 116.09 3hfg s LEU 113 Ca 0.00 0.91 0.06 0.00 -0.22 0.00 0.00 54.13 54.88 3hfg s LEU 113 Cb 0.00 1.23 -0.09 0.00 0.50 0.00 0.00 46.19 47.83 3hfg s LEU 113 CO 0.00 -0.23 0.05 0.47 -1.32 0.00 0.00 176.35 175.32 3hfg n ASP 114 N 5.21 3.27 -3.91 3.68 8.00 -0.03 -4.00 116.55 128.77 3hfg n ASP 114 Ca -0.10 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.26 3hfg n ASP 114 Cb 0.50 0.79 -0.14 0.00 -0.02 0.00 0.00 41.12 42.25 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 -2.23 0.18 -0.20 -1.24 1.75 -0.89 0.60 119.30 117.27 3hfg s MET 115 Ca -0.03 -0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.29 3hfg s MET 115 Cb 0.03 -0.14 0.04 0.00 2.84 0.00 0.00 34.83 37.60 3hfg s MET 115 CO 0.29 0.04 -0.10 -1.17 -0.65 0.00 0.00 175.02 173.42 3hfg s LEU 116 N -0.18 2.37 -0.44 4.11 2.96 -0.95 -1.95 118.68 124.60 3hfg s LEU 116 Ca -0.01 -0.93 -0.07 0.00 -0.22 0.00 0.00 54.13 52.91 3hfg s LEU 116 Cb -0.02 -1.26 0.11 0.00 0.50 0.00 0.00 46.19 45.52 3hfg s LEU 116 CO -0.00 -0.15 0.29 -0.63 -1.32 0.00 0.00 176.35 174.54 3hfg s ILE 117 N 1.37 3.85 -0.23 6.68 1.01 -0.48 0.97 121.20 134.36 3hfg s ILE 117 Ca -0.02 -1.87 -0.21 0.00 0.00 0.00 0.00 60.65 58.55 3hfg s ILE 117 Cb -0.16 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3hfg s ILE 117 CO -0.08 -0.73 0.66 -0.76 0.00 0.00 0.00 174.94 174.03 3hfg s LEU 118 N 1.28 4.09 0.00 2.97 1.43 0.38 -1.71 118.68 127.12 3hfg s LEU 118 Ca 0.06 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3hfg s LEU 118 Cb -0.25 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.05 3hfg s LEU 118 CO -0.02 -0.36 0.00 -3.20 0.23 0.00 0.00 176.35 173.00 3hfg n ASN 119 N 5.53 0.00 -4.52 2.29 5.15 -1.26 -1.59 115.26 120.85 3hfg n ASN 119 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 3hfg n ASN 119 Cb 0.49 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.78 3hfg n ASN 119 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hfg n HIS 120 N -1.01 -0.14 -3.81 1.20 1.44 -1.25 -4.86 115.22 106.79 3hfg n HIS 120 Ca 0.00 0.44 -0.12 0.00 -2.01 0.00 0.00 57.72 56.02 3hfg n HIS 120 Cb 0.00 -2.02 -0.09 0.00 0.12 0.00 0.00 29.99 28.00 3hfg n HIS 120 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 3hfg s ILE 121 N -1.65 0.07 0.59 0.61 -4.36 -1.26 -4.78 121.20 110.41 3hfg s ILE 121 Ca 0.72 -0.57 -0.19 0.00 -0.26 0.00 0.00 60.65 60.35 3hfg s ILE 121 Cb -0.43 -0.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.72 3hfg s ILE 121 CO 0.51 -0.31 1.22 0.28 0.24 0.00 0.00 174.94 176.88 3hfg s THR 122 N -1.33 2.60 0.14 8.37 -1.32 -1.26 -4.89 115.64 117.95 3hfg s THR 122 Ca -0.14 0.38 -0.33 0.00 -1.21 0.00 0.00 61.69 60.39 3hfg s THR 122 Cb -0.06 -3.16 -0.17 0.00 -1.51 0.00 0.00 72.50 67.60 3hfg s THR 122 CO 0.03 -0.08 0.90 -3.20 -2.21 0.00 0.00 174.62 170.06 3hfg n ASN 123 N -1.53 0.03 -3.81 8.08 5.15 -1.26 -4.97 115.26 116.94 3hfg n ASN 123 Ca 0.13 1.15 -0.12 0.00 -0.60 0.00 0.00 54.58 55.14 3hfg n ASN 123 Cb 0.49 -1.04 -0.09 0.00 -0.53 0.00 0.00 39.78 38.62 3hfg n ASN 123 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hfg s THR 124 N -0.47 0.08 0.34 -0.44 2.01 -1.26 -5.04 115.64 110.87 3hfg s THR 124 Ca 0.74 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 62.11 3hfg s THR 124 Cb -0.99 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3hfg s THR 124 CO 0.55 -0.37 0.18 -0.94 -0.69 0.00 0.00 174.62 173.36 3hfg s SER 125 N -1.64 1.91 -0.25 3.53 1.04 -1.26 -4.95 113.70 112.08 3hfg s SER 125 Ca -0.11 -1.64 -0.18 0.00 0.48 0.00 0.00 55.95 54.50 3hfg s SER 125 Cb -0.04 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 3hfg s SER 125 CO 0.00 -0.95 0.52 -0.76 0.98 0.00 0.00 173.24 173.04 3hfg s LEU 126 N -3.44 4.07 -0.02 2.42 1.43 -1.26 -4.92 118.68 116.97 3hfg s LEU 126 Ca 0.34 0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 53.82 3hfg s LEU 126 Cb 0.04 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.61 3hfg s LEU 126 CO 0.19 -0.27 0.39 0.20 0.23 0.00 0.00 176.35 177.10 3hfg s ASN 127 N 1.45 -0.30 0.28 2.29 -0.87 -0.87 -5.06 114.94 111.86 3hfg s ASN 127 Ca 0.22 0.22 -0.29 0.00 -1.57 0.00 0.00 52.86 51.44 3hfg s ASN 127 Cb -0.16 0.36 -0.10 0.00 -0.02 0.00 0.00 41.25 41.34 3hfg s ASN 127 CO 0.09 -0.49 1.36 -0.76 -2.57 0.00 0.00 177.10 174.73 3hfg s LEU 128 N -1.32 4.41 -0.08 0.60 1.43 -1.26 -4.12 118.68 118.34 3hfg s LEU 128 Ca -0.13 2.64 -0.29 0.00 -1.03 0.00 0.00 54.13 55.32 3hfg s LEU 128 Cb -0.04 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 3hfg s LEU 128 CO 0.05 -0.60 1.85 0.12 0.23 0.00 0.00 176.35 178.01 3hfg s PHE 129 N -0.54 1.61 -0.46 0.29 5.36 -1.26 -4.91 117.98 118.07 3hfg s PHE 129 Ca 0.54 0.08 0.06 0.00 -0.96 0.00 0.00 56.93 56.65 3hfg s PHE 129 Cb -0.40 -4.05 0.22 0.00 -0.34 0.00 0.00 43.02 38.45 3hfg s PHE 129 CO 0.47 -4.34 0.51 1.58 -1.46 0.00 0.00 175.22 171.98 3hfg n HIS 130 N 8.29 0.38 -0.75 10.12 -0.00 -1.26 -4.93 115.22 127.08 3hfg n HIS 130 Ca 0.21 -3.64 0.00 0.00 -0.00 0.00 0.00 57.72 54.28 3hfg n HIS 130 Cb 0.43 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 3hfg n HIS 130 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3hfg n ASP 131 N 1.73 0.00 -3.96 0.26 5.68 -1.26 -4.92 116.55 114.08 3hfg n ASP 131 Ca 0.25 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 54.13 3hfg n ASP 131 Cb 0.48 -1.11 -0.02 0.00 -1.14 0.00 0.00 41.12 39.33 3hfg n ASP 131 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hfg n ASP 132 N 0.00 3.58 0.23 -1.12 2.03 -1.26 -4.66 116.55 115.36 3hfg n ASP 132 Ca 0.00 -2.79 0.07 0.00 0.52 0.00 0.00 54.79 52.59 3hfg n ASP 132 Cb 0.00 -1.53 0.57 0.00 -0.72 0.00 0.00 41.12 39.44 3hfg n ASP 132 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3hfg h ILE 133 N 4.69 0.97 0.08 5.18 1.08 -1.99 -2.96 117.51 124.56 3hfg h ILE 133 Ca 0.46 -0.62 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 3hfg h ILE 133 Cb 0.73 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.83 3hfg h ILE 133 CO 1.75 0.17 -0.04 -0.74 -0.69 0.00 0.00 178.15 178.60 3hfg h HIS 134 N 0.00 -0.10 0.00 1.37 2.76 -1.99 0.39 115.15 117.58 3hfg h HIS 134 Ca -0.00 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 3hfg h HIS 134 Cb 0.33 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3hfg h HIS 134 CO 0.00 -0.06 -0.45 1.25 -1.30 0.00 0.00 177.93 177.37 3hfg h HIS 135 N -0.11 0.00 -0.54 5.26 -0.00 -1.94 0.23 115.15 118.06 3hfg h HIS 135 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.27 3hfg h HIS 135 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3hfg h HIS 135 CO -0.07 0.45 -0.00 0.28 -0.00 0.00 0.00 177.93 178.58 3hfg h VAL 136 N 0.00 1.26 0.25 5.26 2.07 -1.33 -0.12 116.25 123.65 3hfg h VAL 136 Ca -0.00 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 3hfg h VAL 136 Cb 0.94 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3hfg h VAL 136 CO 0.06 0.40 -0.12 -0.09 0.02 0.00 0.00 177.57 177.83 3hfg h ARG 137 N 0.83 -0.32 0.08 1.57 2.43 -0.40 -1.77 114.38 116.79 3hfg h ARG 137 Ca 0.15 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3hfg h ARG 137 Cb 0.54 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 3hfg h ARG 137 CO 0.03 -0.03 -0.50 -0.22 -1.51 0.00 0.00 179.97 177.74 3hfg h LYS 138 N -0.63 -0.66 -0.80 0.20 1.63 -0.53 -1.06 116.57 114.73 3hfg h LYS 138 Ca -0.03 0.05 0.14 0.00 -0.85 0.00 0.00 60.65 59.96 3hfg h LYS 138 Cb 0.45 0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 32.13 3hfg h LYS 138 CO 0.06 -0.44 0.37 0.77 -3.45 0.00 0.00 179.45 176.75 3hfg h SER 139 N -0.69 0.40 0.00 4.20 0.02 -1.06 0.47 113.55 116.90 3hfg h SER 139 Ca -0.00 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3hfg h SER 139 Cb 0.70 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3hfg h SER 139 CO -0.29 0.16 -0.07 -0.03 -1.14 0.00 0.00 176.83 175.46 3hfg h MET 140 N 0.53 0.17 0.00 3.45 1.85 -0.80 -0.43 114.93 119.69 3hfg h MET 140 Ca 0.44 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.48 3hfg h MET 140 Cb 0.64 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.64 3hfg h MET 140 CO -0.38 0.25 -0.18 0.93 -0.40 0.00 0.00 176.91 177.12 3hfg h GLU 141 N 0.17 0.00 -0.58 0.39 5.08 0.11 -0.45 114.58 119.30 3hfg h GLU 141 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3hfg h GLU 141 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3hfg h GLU 141 CO 0.01 0.51 -0.04 0.28 -1.00 0.00 0.00 179.01 178.77 3hfg h VAL 142 N -1.00 1.27 0.00 3.13 2.07 -1.00 0.12 116.25 120.83 3hfg h VAL 142 Ca -0.04 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 3hfg h VAL 142 Cb 0.59 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3hfg h VAL 142 CO -0.02 0.43 -1.00 0.78 0.02 0.00 0.00 177.57 177.77 3hfg h ASN 143 N 0.94 0.00 0.00 0.57 4.21 -1.23 -3.38 115.58 116.68 3hfg h ASN 143 Ca 0.16 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3hfg h ASN 143 Cb 0.60 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 3hfg h ASN 143 CO 0.04 0.40 -0.50 0.33 -1.29 0.00 0.00 177.43 176.41 3hfg n PHE 144 N -2.95 0.00 0.07 1.19 7.35 -1.04 -4.68 117.46 117.40 3hfg n PHE 144 Ca -0.04 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.52 3hfg n PHE 144 Cb 0.73 0.11 -0.08 0.00 0.35 0.00 0.00 39.48 40.60 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 -0.09 -0.49 -2.13 -0.00 -0.83 -2.44 115.31 109.33 3hfg h LEU 145 Ca 0.00 -0.08 0.05 0.00 -0.00 0.00 0.00 57.88 57.85 3hfg h LEU 145 Cb 0.50 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.14 3hfg h LEU 145 CO 0.00 0.02 0.24 0.77 -0.00 0.00 0.00 178.44 179.46 3hfg h SER 146 N -0.20 0.33 -0.91 -0.43 4.64 -0.95 -1.97 113.55 114.06 3hfg h SER 146 Ca -0.01 0.03 0.16 0.00 -0.47 0.00 0.00 61.79 61.50 3hfg h SER 146 Cb 0.16 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 62.13 3hfg h SER 146 CO 0.02 0.23 0.51 1.88 -0.87 0.00 0.00 176.83 178.59 3hfg h TYR 147 N 0.46 0.90 0.00 4.77 -1.99 -1.74 0.35 116.97 119.72 3hfg h TYR 147 Ca 0.22 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.92 3hfg h TYR 147 Cb 0.15 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 3hfg h TYR 147 CO -0.11 0.22 -0.28 0.28 -0.00 0.00 0.00 178.16 178.26 3hfg h VAL 148 N 0.70 0.77 0.01 -2.88 2.07 -0.88 -2.24 116.25 113.80 3hfg h VAL 148 Ca 0.51 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 3hfg h VAL 148 Cb 0.73 1.74 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3hfg h VAL 148 CO -0.36 0.28 -0.31 0.58 0.02 0.00 0.00 177.57 177.78 3hfg h VAL 149 N 0.00 1.55 -0.80 2.57 2.07 0.13 -2.04 116.25 119.73 3hfg h VAL 149 Ca -0.00 -2.02 0.09 0.00 0.82 0.00 0.00 66.70 65.59 3hfg h VAL 149 Cb 0.71 2.81 -0.07 0.00 -1.52 0.00 0.00 31.29 33.23 3hfg h VAL 149 CO 0.04 0.56 0.44 -0.07 0.02 0.00 0.00 177.57 178.56 3hfg h LEU 150 N -0.48 0.63 -0.29 2.57 3.38 -1.10 -2.20 115.31 117.82 3hfg h LEU 150 Ca -0.04 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hfg h LEU 150 Cb 1.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3hfg h LEU 150 CO 0.06 0.36 0.01 0.74 0.09 0.00 0.00 178.44 179.70 3hfg h THR 151 N 0.75 1.25 -0.81 0.22 2.02 -1.44 -2.41 112.91 112.49 3hfg h THR 151 Ca 0.38 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.72 3hfg h THR 151 Cb 0.35 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3hfg h THR 151 CO -0.25 0.29 0.49 0.58 0.37 0.00 0.00 175.52 177.00 3hfg h VAL 152 N 0.30 1.01 -0.17 3.16 2.07 -0.99 -2.02 116.25 119.62 3hfg h VAL 152 Ca 0.08 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3hfg h VAL 152 Cb 0.41 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3hfg h VAL 152 CO 0.01 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.76 3hfg n ALA 153 N -2.36 2.52 0.25 1.67 0.00 -0.86 -3.36 120.51 118.37 3hfg n ALA 153 Ca 0.12 -0.53 0.03 0.00 0.00 0.00 0.00 53.44 53.05 3hfg n ALA 153 Cb 0.19 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 3hfg n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfg n ALA 154 N 0.35 2.64 -0.04 0.00 0.00 -0.90 -4.56 120.51 118.00 3hfg n ALA 154 Ca 0.16 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 3hfg n ALA 154 Cb 0.34 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 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 0.22 0.20 -0.39 0.00 5.85 -1.39 -2.27 115.31 117.53 3hfg h LEU 155 Ca 0.00 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.52 3hfg h LEU 155 Cb 0.15 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 3hfg h LEU 155 CO 0.00 0.41 -0.43 -0.65 -0.34 0.00 0.00 178.44 177.44 3hfg h PRO 156 N -0.02 -0.32 0.00 5.25 0.11 -1.86 0.17 132.00 135.33 3hfg h PRO 156 Ca 0.04 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3hfg h PRO 156 Cb 0.30 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 3hfg h PRO 156 CO 0.00 -0.22 -0.15 0.52 -0.21 0.00 0.00 178.00 177.94 3hfg h MET 157 N -0.34 0.00 0.00 1.05 2.86 -1.88 -2.57 114.93 114.06 3hfg h MET 157 Ca 0.13 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.61 3hfg h MET 157 Cb 0.58 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 3hfg h MET 157 CO -0.56 0.15 -0.95 -0.07 1.06 0.00 0.00 176.91 176.54 3hfg h LEU 158 N 0.00 0.00 0.56 1.22 3.38 -0.63 -3.05 115.31 116.78 3hfg h LEU 158 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hfg h LEU 158 Cb 0.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hfg h LEU 158 CO 0.02 0.70 -0.27 0.11 0.09 0.00 0.00 178.44 179.09 3hfg h LYS 159 N 0.00 -0.72 -0.97 1.13 1.57 -0.30 -1.95 116.57 115.32 3hfg h LYS 159 Ca -0.07 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3hfg h LYS 159 Cb 1.59 0.16 -0.09 0.00 0.08 0.00 0.00 32.23 33.98 3hfg h LYS 159 CO 0.08 -0.41 0.61 0.37 -0.57 0.00 0.00 179.45 179.53 3hfg h GLN 160 N -1.02 0.82 -0.61 3.15 5.75 -1.65 -1.99 115.11 119.56 3hfg h GLN 160 Ca -0.08 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3hfg h GLN 160 Cb 0.64 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.01 3hfg h GLN 160 CO 0.13 0.55 0.00 -1.13 -2.65 0.00 0.00 178.83 175.72 3hfg n SER 161 N -4.63 3.66 -3.68 -0.69 3.41 -1.15 -4.94 113.62 105.59 3hfg n SER 161 Ca 0.20 -2.26 -0.21 0.00 -0.26 0.00 0.00 58.87 56.34 3hfg n SER 161 Cb 0.44 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.93 -0.65 -0.63 4.04 3.02 -0.75 -4.89 115.26 116.34 3hfg n ASN 162 Ca 0.20 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 3hfg n ASN 162 Cb 0.67 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.75 1.67 3.25 7.41 0.00 -0.80 -4.87 105.19 110.11 3hfg n GLY 163 Ca -0.13 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 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 0.83 -0.04 1.61 0.01 0.20 -2.12 113.70 113.19 3hfg s SER 164 Ca 0.00 -1.32 -0.01 0.00 1.31 0.00 0.00 55.95 55.93 3hfg s SER 164 Cb 0.00 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.48 3hfg s SER 164 CO 0.00 -0.73 0.01 -0.63 0.41 0.00 0.00 173.24 172.31 3hfg s ILE 165 N -3.87 0.18 -0.34 1.44 1.01 0.16 -2.23 121.20 117.55 3hfg s ILE 165 Ca 0.34 0.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 3hfg s ILE 165 Cb 0.07 -0.32 0.07 0.00 0.01 0.00 0.00 42.46 42.29 3hfg s ILE 165 CO 0.10 0.18 0.07 -0.69 0.00 0.00 0.00 174.94 174.61 3hfg s VAL 166 N 1.49 3.18 -0.30 2.92 1.01 0.27 -1.22 120.40 127.75 3hfg s VAL 166 Ca -0.03 -1.55 -0.12 0.00 0.00 0.00 0.00 61.98 60.27 3hfg s VAL 166 Cb -0.13 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3hfg s VAL 166 CO -0.03 -0.29 0.24 -0.69 0.00 0.00 0.00 175.10 174.33 3hfg s VAL 167 N 1.24 5.27 -0.21 2.92 1.01 -0.70 -0.47 120.40 129.46 3hfg s VAL 167 Ca -0.01 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 3hfg s VAL 167 Cb -0.21 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 3hfg s VAL 167 CO -0.02 0.12 0.85 -0.69 0.00 0.00 0.00 175.10 175.37 3hfg s VAL 168 N 1.81 4.84 0.00 2.92 1.01 -0.62 -1.33 120.40 129.02 3hfg s VAL 168 Ca 0.08 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.71 3hfg s VAL 168 Cb -0.16 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3hfg s VAL 168 CO 0.11 -0.04 0.00 -0.24 0.00 0.00 0.00 175.10 174.93 3hfg n SER 169 N 5.70 0.73 -3.80 3.32 2.88 -0.77 -4.88 113.62 116.79 3hfg n SER 169 Ca 0.06 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.52 3hfg n SER 169 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.28 0.53 -3.46 0.01 -1.26 -2.49 113.70 107.75 3hfg s SER 170 Ca 0.00 -0.55 0.19 0.00 1.31 0.00 0.00 55.95 56.90 3hfg s SER 170 Cb 0.00 0.67 1.38 0.00 0.21 0.00 0.00 66.02 68.29 3hfg s SER 170 CO 0.00 -1.23 2.16 -0.07 0.41 0.00 0.00 173.24 174.51 3hfg h LEU 171 N 2.06 0.00 0.00 2.44 3.38 -1.40 0.22 115.31 122.02 3hfg h LEU 171 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hfg h LEU 171 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hfg h LEU 171 CO 0.29 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3hfg n ALA 172 N -2.48 2.29 0.10 1.53 0.00 -1.26 -0.96 120.51 119.73 3hfg n ALA 172 Ca -0.03 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.34 3hfg n ALA 172 Cb 0.10 -1.37 0.11 0.00 0.00 0.00 0.00 19.45 18.29 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 0.50 1.44 0.46 0.00 0.00 0.06 -4.45 105.19 103.19 3hfg n GLY 173 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.58 0.00 -4.32 1.61 4.76 -0.77 -4.22 118.16 115.80 3hfg n LYS 174 Ca 0.10 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.35 3hfg n LYS 174 Cb 0.37 -0.72 -0.10 0.00 -1.84 0.00 0.00 35.03 32.73 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 -1.89 1.68 -0.26 -0.18 -7.23 -0.14 -5.12 120.40 107.26 3hfg s VAL 175 Ca 0.00 -2.08 -0.24 0.00 -1.81 0.00 0.00 61.98 57.85 3hfg s VAL 175 Cb 0.00 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.01 3hfg s VAL 175 CO 0.00 -0.52 0.82 0.00 -0.31 0.00 0.00 175.10 175.10 3hfg s ALA 176 N -2.68 3.62 0.16 1.32 0.00 -1.26 -4.29 121.76 118.63 3hfg s ALA 176 Ca 0.19 -0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.04 3hfg s ALA 176 Cb -0.02 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3hfg s ALA 176 CO 0.06 -1.00 -0.21 0.71 0.00 0.00 0.00 175.76 175.32 3hfg s TYR 177 N 2.89 2.02 0.28 0.00 1.51 -1.26 -5.11 117.35 117.67 3hfg s TYR 177 Ca 0.34 -0.42 -0.18 0.00 -1.01 0.00 0.00 57.07 55.81 3hfg s TYR 177 Cb -0.15 -1.02 -0.09 0.00 -0.11 0.00 0.00 41.96 40.59 3hfg s TYR 177 CO 0.09 0.38 0.75 -2.14 -1.11 0.00 0.00 175.55 173.51 3hfg s PRO 178 N -2.59 4.14 0.00 -1.71 0.02 -1.26 -4.22 135.00 129.39 3hfg s PRO 178 Ca 0.16 0.80 0.00 0.00 0.02 0.00 0.00 61.00 61.98 3hfg s PRO 178 Cb -0.07 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.82 3hfg s PRO 178 CO 0.07 0.26 0.00 -1.33 -0.33 0.00 0.00 177.00 175.67 3hfg n MET 179 N 0.13 0.00 -2.13 5.54 2.81 -1.26 -4.88 117.12 117.33 3hfg n MET 179 Ca 0.01 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.86 3hfg n MET 179 Cb 0.52 -2.36 0.05 0.00 -0.71 0.00 0.00 33.22 30.73 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 -2.31 1.40 0.35 2.03 0.24 -1.26 -2.05 118.33 116.72 3hfg n VAL 180 Ca 0.00 -2.85 -0.15 0.00 -2.04 0.00 0.00 64.34 59.30 3hfg n VAL 180 Cb 0.00 0.52 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 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 2.00 -0.93 -0.41 2.33 0.00 -1.85 0.68 119.26 121.08 3hfg h ALA 181 Ca -0.03 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3hfg h ALA 181 Cb 1.44 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.51 3hfg h ALA 181 CO 0.28 -0.88 -0.09 0.00 0.00 0.00 0.00 179.25 178.56 3hfg h ALA 182 N -1.21 0.28 -0.69 0.00 0.00 -1.94 0.25 119.26 115.96 3hfg h ALA 182 Ca -0.10 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hfg h ALA 182 Cb 0.72 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3hfg h ALA 182 CO 0.16 -0.45 0.41 -0.92 0.00 0.00 0.00 179.25 178.45 3hfg h TYR 183 N 0.01 0.76 -0.54 0.00 3.20 -1.90 -2.62 116.97 115.88 3hfg h TYR 183 Ca 0.20 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3hfg h TYR 183 Cb 0.30 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3hfg h TYR 183 CO -0.35 0.40 0.22 0.77 -1.64 0.00 0.00 178.16 177.56 3hfg h SER 184 N 0.78 0.74 -0.45 -2.11 0.02 0.17 -2.50 113.55 110.20 3hfg h SER 184 Ca 0.29 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3hfg h SER 184 Cb 0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3hfg h SER 184 CO -0.15 0.70 0.19 0.00 -1.14 0.00 0.00 176.83 176.43 3hfg h ALA 185 N 1.07 1.39 -0.23 3.77 0.00 -0.21 0.24 119.26 125.30 3hfg h ALA 185 Ca 0.18 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3hfg h ALA 185 Cb 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hfg h ALA 185 CO -0.02 0.46 -0.53 0.66 0.00 0.00 0.00 179.25 179.83 3hfg h SER 186 N 0.72 0.85 -0.42 0.00 4.64 -1.41 -2.01 113.55 115.93 3hfg h SER 186 Ca 0.17 -0.56 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 3hfg h SER 186 Cb 0.17 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3hfg h SER 186 CO -0.01 1.26 0.01 0.11 -0.87 0.00 0.00 176.83 177.33 3hfg h LYS 187 N 0.49 0.81 -0.29 4.77 1.79 -0.92 0.42 116.57 123.63 3hfg h LYS 187 Ca -0.00 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 3hfg h LYS 187 Cb 1.14 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 3hfg h LYS 187 CO 0.12 0.80 0.13 0.74 -1.08 0.00 0.00 179.45 180.16 3hfg h PHE 188 N 0.76 0.43 -0.64 -1.35 0.04 -0.53 -2.78 116.94 112.87 3hfg h PHE 188 Ca 0.15 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.90 3hfg h PHE 188 Cb 0.44 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 3hfg h PHE 188 CO 0.02 0.40 0.43 0.00 -0.60 0.00 0.00 178.31 178.56 3hfg h ALA 189 N 0.99 1.55 -0.74 2.45 0.00 -0.80 -0.82 119.26 121.89 3hfg h ALA 189 Ca 0.10 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3hfg h ALA 189 Cb 0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3hfg h ALA 189 CO -0.01 0.42 0.38 -0.07 0.00 0.00 0.00 179.25 179.96 3hfg h LEU 190 N 0.86 0.50 0.08 0.00 3.38 -0.66 0.30 115.31 119.77 3hfg h LEU 190 Ca 0.24 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3hfg h LEU 190 Cb -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hfg h LEU 190 CO -0.05 0.28 -0.04 -0.78 0.09 0.00 0.00 178.44 177.94 3hfg h ASP 191 N 0.63 -0.09 0.10 -0.43 1.82 -0.99 -1.83 116.42 115.63 3hfg h ASP 191 Ca 0.37 -0.36 0.02 0.00 -0.39 0.00 0.00 57.03 56.67 3hfg h ASP 191 Cb 0.40 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 3hfg h ASP 191 CO -0.28 0.33 -0.25 1.23 -1.61 0.00 0.00 179.24 178.66 3hfg h GLY 192 N -0.52 -0.46 0.98 -0.78 0.00 -1.06 -1.78 103.07 99.45 3hfg h GLY 192 Ca -0.01 0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 3hfg h GLY 192 CO 0.02 -0.22 -0.48 -2.75 0.00 0.00 0.00 176.54 173.11 3hfg h PHE 193 N -0.45 -1.24 -0.05 5.60 3.04 -0.99 -2.58 116.94 120.28 3hfg h PHE 193 Ca 0.03 -0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.82 3hfg h PHE 193 Cb 0.48 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 3hfg h PHE 193 CO -0.24 -0.76 -0.60 0.74 -2.02 0.00 0.00 178.31 175.42 3hfg h PHE 194 N -1.32 0.22 0.00 0.41 -1.00 -1.38 -1.65 116.94 112.21 3hfg h PHE 194 Ca -0.13 -0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.50 3hfg h PHE 194 Cb 1.02 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.53 3hfg h PHE 194 CO 0.00 0.73 -0.31 0.77 -1.61 0.00 0.00 178.31 177.89 3hfg h SER 195 N 0.13 0.00 0.02 2.17 0.02 -1.41 0.33 113.55 114.80 3hfg h SER 195 Ca -0.01 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 3hfg h SER 195 Cb 1.09 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.64 3hfg h SER 195 CO 0.09 0.31 -0.61 -1.28 -1.14 0.00 0.00 176.83 174.20 3hfg h SER 196 N 0.00 0.51 0.10 3.07 0.87 -0.93 -2.80 113.55 114.37 3hfg h SER 196 Ca -0.00 -0.78 -0.11 0.00 -1.23 0.00 0.00 61.79 59.66 3hfg h SER 196 Cb 0.70 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3hfg h SER 196 CO 0.04 1.23 -0.37 0.16 -0.53 0.00 0.00 176.83 177.36 3hfg h ILE 197 N -0.15 1.30 -0.42 2.23 3.07 -1.26 -2.16 117.51 120.11 3hfg h ILE 197 Ca -0.08 -1.47 0.09 0.00 1.55 0.00 0.00 64.86 64.94 3hfg h ILE 197 Cb 1.34 1.58 -0.08 0.00 -0.27 0.00 0.00 36.82 39.38 3hfg h ILE 197 CO 0.12 0.45 -0.12 -0.09 -1.05 0.00 0.00 178.15 177.46 3hfg h ARG 198 N 0.31 -0.01 -0.67 0.16 2.43 -0.92 0.48 114.38 116.16 3hfg h ARG 198 Ca 0.03 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 3hfg h ARG 198 Cb 0.80 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.26 3hfg h ARG 198 CO 0.06 -0.01 0.19 0.87 -1.51 0.00 0.00 179.97 179.58 3hfg h LYS 199 N -0.01 0.31 -0.51 0.20 1.79 -1.20 -2.23 116.57 114.91 3hfg h LYS 199 Ca 0.20 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.59 3hfg h LYS 199 Cb 0.32 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 3hfg h LYS 199 CO -0.44 0.21 0.07 0.93 -1.08 0.00 0.00 179.45 179.14 3hfg h GLU 200 N 0.32 0.81 0.00 3.15 5.08 0.43 -2.06 114.58 122.32 3hfg h GLU 200 Ca 0.36 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 3hfg h GLU 200 Cb 0.54 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3hfg h GLU 200 CO -0.41 0.77 -0.54 1.88 -1.00 0.00 0.00 179.01 179.70 3hfg h TYR 201 N 0.77 0.00 0.00 4.33 0.05 -0.40 -1.19 116.97 120.53 3hfg h TYR 201 Ca 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 3hfg h TYR 201 Cb 0.36 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 3hfg h TYR 201 CO 0.02 0.54 -0.01 1.03 -1.05 0.00 0.00 178.16 178.69 3hfg h SER 202 N 0.00 0.00 0.00 3.88 0.87 -0.76 0.55 113.55 118.09 3hfg h SER 202 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3hfg h SER 202 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3hfg h SER 202 CO 0.07 0.01 -0.91 1.33 -0.53 0.00 0.00 176.83 176.80 3hfg n VAL 203 N -3.11 0.00 1.04 2.23 0.24 -1.12 -4.25 118.33 113.36 3hfg n VAL 203 Ca 0.01 -0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.22 3hfg n VAL 203 Cb 0.32 0.58 0.33 0.00 -1.47 0.00 0.00 33.84 33.60 3hfg n VAL 203 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hfg n SER 204 N -1.50 2.25 -2.46 -1.34 3.41 -0.46 -4.94 113.62 108.58 3hfg n SER 204 Ca -0.00 -1.78 -0.20 0.00 -0.26 0.00 0.00 58.87 56.63 3hfg n SER 204 Cb 0.12 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3hfg n SER 204 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hfg n ARG 205 N 0.72 -2.56 -2.55 4.33 1.74 -0.61 -4.97 116.66 112.76 3hfg n ARG 205 Ca 0.17 0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 57.76 3hfg n ARG 205 Cb 0.44 -5.59 -0.03 0.00 -1.02 0.00 0.00 32.46 26.27 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 -3.04 4.47 -0.77 1.55 1.01 0.09 -4.95 120.40 118.75 3hfg s VAL 206 Ca 0.09 1.77 -0.03 0.00 0.00 0.00 0.00 61.98 63.81 3hfg s VAL 206 Cb -0.04 -4.14 0.16 0.00 0.00 0.00 0.00 36.38 32.37 3hfg s VAL 206 CO 0.11 -0.03 2.44 -3.20 0.00 0.00 0.00 175.10 174.42 3hfg n ASN 207 N 5.36 7.11 -4.35 3.32 5.15 -1.26 -4.52 115.26 126.07 3hfg n ASN 207 Ca 0.11 -3.38 -0.33 0.00 -0.60 0.00 0.00 54.58 50.37 3hfg n ASN 207 Cb 0.47 -1.22 -0.15 0.00 -0.53 0.00 0.00 39.78 38.36 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 -2.88 2.89 -0.04 3.44 1.01 -1.26 -4.27 120.40 119.28 3hfg s VAL 208 Ca 0.54 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 3hfg s VAL 208 Cb 0.34 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3hfg s VAL 208 CO -0.23 0.53 0.63 -0.94 0.00 0.00 0.00 175.10 175.09 3hfg s SER 209 N 0.33 6.95 -0.15 3.32 1.04 -0.90 -4.98 113.70 119.31 3hfg s SER 209 Ca -0.12 1.14 -0.03 0.00 0.48 0.00 0.00 55.95 57.42 3hfg s SER 209 Cb -0.16 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 3hfg s SER 209 CO 0.06 -0.01 -0.05 -0.63 0.98 0.00 0.00 173.24 173.59 3hfg s ILE 210 N 0.36 3.75 -0.23 -1.02 1.01 -1.26 -0.66 121.20 123.15 3hfg s ILE 210 Ca 0.33 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 3hfg s ILE 210 Cb -0.18 -2.63 0.06 0.00 0.01 0.00 0.00 42.46 39.73 3hfg s ILE 210 CO 0.17 0.50 -0.01 -0.89 0.00 0.00 0.00 174.94 174.71 3hfg s THR 211 N 0.32 1.14 -0.25 2.92 2.01 -0.35 -4.41 115.64 117.01 3hfg s THR 211 Ca -0.05 -1.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.75 3hfg s THR 211 Cb -0.14 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3hfg s THR 211 CO 0.03 -0.20 0.48 -0.22 -0.69 0.00 0.00 174.62 174.03 3hfg s LEU 212 N 1.57 4.07 -0.86 4.42 2.96 -0.87 -1.72 118.68 128.25 3hfg s LEU 212 Ca -0.02 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.34 3hfg s LEU 212 Cb -0.18 -2.62 0.22 0.00 0.50 0.00 0.00 46.19 44.10 3hfg s LEU 212 CO -0.08 -0.23 0.76 0.00 -1.32 0.00 0.00 176.35 175.47 3hfg s VAL 214 N -0.65 3.26 0.33 0.00 1.01 -0.49 -1.85 120.40 122.01 3hfg s VAL 214 Ca 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 3hfg s VAL 214 Cb -0.12 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3hfg s VAL 214 CO -0.08 -0.65 0.56 -0.76 0.00 0.00 0.00 175.10 174.17 3hfg s LEU 215 N 10.34 4.01 0.00 3.92 1.43 -1.04 -2.54 118.68 134.80 3hfg s LEU 215 Ca 0.76 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 3hfg s LEU 215 Cb -0.13 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3hfg s LEU 215 CO 0.18 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.11 3hfg n GLY 216 N -1.44 2.86 3.69 -3.19 0.00 -0.21 -1.04 105.19 105.86 3hfg n GLY 216 Ca -0.03 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 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 4.09 -4.10 0.99 7.94 -1.26 -4.94 117.00 119.72 3hfg n LEU 217 Ca 0.00 1.06 -0.14 0.00 -1.11 0.00 0.00 56.01 55.82 3hfg n LEU 217 Cb 0.00 -1.49 -0.11 0.00 0.53 0.00 0.00 43.42 42.35 3hfg n LEU 217 CO 0.00 -0.80 -0.41 -0.63 -1.11 0.00 0.00 177.39 174.43 3hfg s ILE 218 N -1.24 0.71 -1.18 1.96 -1.09 -1.26 -2.58 121.20 116.52 3hfg s ILE 218 Ca 0.64 -1.24 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 3hfg s ILE 218 Cb -0.49 -0.85 0.06 0.00 -1.58 0.00 0.00 42.46 39.60 3hfg s ILE 218 CO 0.56 -0.40 0.70 -0.90 -1.23 0.00 0.00 174.94 173.67 3hfg n ASP 219 N 1.24 1.13 -4.74 3.58 3.85 -1.01 -4.52 116.55 116.08 3hfg n ASP 219 Ca -0.21 -2.06 -0.37 0.00 -0.71 0.00 0.00 54.79 51.44 3hfg n ASP 219 Cb 0.55 -0.41 0.06 0.00 -1.35 0.00 0.00 41.12 39.98 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 -1.32 2.06 0.30 2.12 -4.23 -1.26 -4.84 115.64 108.46 3hfg s THR 220 Ca 0.04 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.61 3hfg s THR 220 Cb 0.03 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.14 3hfg s THR 220 CO 0.02 -0.01 1.88 -0.08 -0.54 0.00 0.00 174.62 175.89 3hfg h GLU 221 N 0.74 0.96 -0.34 3.99 4.22 -1.99 -2.37 114.58 119.78 3hfg h GLU 221 Ca -0.51 -0.06 -0.04 0.00 0.08 0.00 0.00 59.36 58.83 3hfg h GLU 221 Cb 1.33 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3hfg h GLU 221 CO 0.54 0.64 0.06 1.15 -2.18 0.00 0.00 179.01 179.22 3hfg h THR 222 N 0.99 1.23 -0.11 0.32 2.02 -1.95 -2.39 112.91 113.03 3hfg h THR 222 Ca 0.44 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.70 3hfg h THR 222 Cb 0.37 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3hfg h THR 222 CO -0.20 0.27 -0.44 0.00 0.37 0.00 0.00 175.52 175.52 3hfg h ALA 223 N 0.91 1.04 0.00 6.16 0.00 -1.75 -3.22 119.26 122.40 3hfg h ALA 223 Ca 0.11 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 3hfg h ALA 223 Cb 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hfg h ALA 223 CO 0.01 0.62 -0.88 0.52 0.00 0.00 0.00 179.25 179.51 3hfg h MET 224 N 0.22 0.00 -0.20 0.00 2.86 -1.34 -3.20 114.93 113.27 3hfg h MET 224 Ca 0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 3hfg h MET 224 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3hfg h MET 224 CO 0.07 0.69 -0.47 -0.22 1.06 0.00 0.00 176.91 178.04 3hfg h LYS 225 N 0.00 0.52 0.00 1.72 3.64 -1.44 -3.19 116.57 117.82 3hfg h LYS 225 Ca -0.04 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 3hfg h LYS 225 Cb 1.61 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.45 3hfg h LYS 225 CO 0.09 0.88 -0.29 0.00 -2.27 0.00 0.00 179.45 177.86 3hfg h ALA 226 N 1.08 0.86 -0.36 5.00 0.00 -1.62 -3.33 119.26 120.88 3hfg h ALA 226 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hfg h ALA 226 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hfg h ALA 226 CO 0.09 0.14 0.00 1.55 0.00 0.00 0.00 179.25 181.02 3hfg n VAL 227 N -3.05 1.82 0.27 0.00 3.14 -1.21 -4.53 118.33 114.78 3hfg n VAL 227 Ca 0.03 -1.47 -0.15 0.00 -2.96 0.00 0.00 64.34 59.79 3hfg n VAL 227 Cb 0.58 0.05 -0.08 0.00 -1.06 0.00 0.00 33.84 33.33 3hfg n VAL 227 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3hfg h SER 228 N 2.32 -0.57 -1.53 6.55 4.64 -1.67 -3.51 113.55 119.79 3hfg h SER 228 Ca 0.00 -0.05 -0.75 0.00 -0.47 0.00 0.00 61.79 60.52 3hfg h SER 228 Cb 1.24 0.15 -0.18 0.00 -0.31 0.00 0.00 62.40 63.30 3hfg h SER 228 CO 0.16 -0.29 1.77 0.61 -0.87 0.00 0.00 176.83 178.22 3hfg n GLY 229 N -0.89 5.47 0.00 -0.77 0.00 -1.26 -5.17 105.19 102.56 3hfg n GLY 229 Ca -0.11 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.68 3hfg n GLY 229 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3hfg n MET 233 N 0.99 0.00 -1.79 1.61 -0.00 -1.26 -5.18 117.12 111.50 3hfg n MET 233 Ca 0.56 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.84 3hfg n MET 233 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 33.22 33.46 3hfg n MET 233 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3hfg s GLN 234 N -3.40 4.16 0.45 3.17 -1.52 -1.26 -4.99 119.66 116.27 3hfg s GLN 234 Ca 0.00 2.48 -0.04 0.00 -1.95 0.00 0.00 55.36 55.85 3hfg s GLN 234 Cb 0.00 -3.98 -0.03 0.00 -0.22 0.00 0.00 33.01 28.78 3hfg s GLN 234 CO 0.00 -0.89 0.73 0.00 -0.25 0.00 0.00 175.29 174.88 3hfg s ALA 235 N 3.91 3.48 -0.00 6.09 0.00 -1.26 -4.55 121.76 129.42 3hfg s ALA 235 Ca 0.82 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.22 3hfg s ALA 235 Cb -0.41 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 3hfg s ALA 235 CO 0.37 -0.29 -0.21 0.00 0.00 0.00 0.00 175.76 175.63 3hfg s ALA 236 N -2.65 1.75 0.04 0.00 0.00 -1.06 -4.75 121.76 115.09 3hfg s ALA 236 Ca 0.46 -0.94 -0.35 0.00 0.00 0.00 0.00 51.96 51.13 3hfg s ALA 236 Cb -0.10 -0.43 -0.14 0.00 0.00 0.00 0.00 23.12 22.45 3hfg s ALA 236 CO 0.43 0.42 1.60 -2.30 0.00 0.00 0.00 175.76 175.91 3hfg n PRO 237 N 2.42 1.79 0.26 0.00 -0.02 -1.26 -2.42 135.00 135.77 3hfg n PRO 237 Ca -0.16 0.65 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 3hfg n PRO 237 Cb 0.53 -2.39 0.64 0.00 -0.02 0.00 0.00 33.50 32.26 3hfg n PRO 237 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3hfg h LYS 238 N 6.41 0.00 0.21 -0.52 2.10 -1.94 -2.32 116.57 120.51 3hfg h LYS 238 Ca -0.47 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 3hfg h LYS 238 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3hfg h LYS 238 CO 0.88 0.04 -0.10 0.93 -2.00 0.00 0.00 179.45 179.20 3hfg h GLU 239 N 0.00 -0.27 0.00 0.07 3.07 -1.95 -0.77 114.58 114.73 3hfg h GLU 239 Ca -0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3hfg h GLU 239 Cb 0.07 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3hfg h GLU 239 CO 0.01 0.07 -0.03 0.93 -1.40 0.00 0.00 179.01 178.58 3hfg h GLU 240 N -0.63 0.00 0.19 2.33 5.08 -1.90 -1.00 114.58 118.65 3hfg h GLU 240 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3hfg h GLU 240 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3hfg h GLU 240 CO 0.05 0.03 -0.09 0.00 -1.00 0.00 0.00 179.01 177.99 3hfg h ALA 242 N -0.92 1.57 0.48 0.00 0.00 -0.85 0.14 119.26 119.69 3hfg h ALA 242 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hfg h ALA 242 Cb 0.29 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hfg h ALA 242 CO 0.04 -0.40 -0.23 1.25 0.00 0.00 0.00 179.25 179.91 3hfg h LEU 243 N 0.38 -0.55 -1.13 0.00 5.85 -1.24 -1.97 115.31 116.65 3hfg h LEU 243 Ca 0.61 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 59.38 3hfg h LEU 243 Cb 1.22 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 3hfg h LEU 243 CO -0.56 -0.25 0.60 -0.33 -0.34 0.00 0.00 178.44 177.57 3hfg h GLU 244 N -0.86 0.87 0.57 1.25 4.39 -0.33 -0.51 114.58 119.96 3hfg h GLU 244 Ca -0.07 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 3hfg h GLU 244 Cb 0.58 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3hfg h GLU 244 CO 0.11 0.58 -0.38 0.82 -1.16 0.00 0.00 179.01 178.98 3hfg h ILE 245 N 0.90 0.22 -0.46 3.13 2.04 -0.62 -1.33 117.51 121.40 3hfg h ILE 245 Ca 0.46 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.36 3hfg h ILE 245 Cb 0.50 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3hfg h ILE 245 CO -0.22 0.00 0.21 0.40 0.00 0.00 0.00 178.15 178.54 3hfg h ILE 246 N -0.91 0.93 -0.47 -0.67 2.04 -0.70 -1.91 117.51 115.82 3hfg h ILE 246 Ca -0.07 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.73 3hfg h ILE 246 Cb 0.75 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3hfg h ILE 246 CO 0.05 0.08 0.07 0.11 0.00 0.00 0.00 178.15 178.45 3hfg h LYS 247 N 0.42 0.19 -0.59 2.37 1.57 -1.03 -0.79 116.57 118.71 3hfg h LYS 247 Ca 0.20 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3hfg h LYS 247 Cb 0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3hfg h LYS 247 CO -0.16 0.12 0.29 0.78 -0.57 0.00 0.00 179.45 179.91 3hfg h GLY 248 N 0.19 0.88 1.02 3.86 0.00 -0.67 -0.96 103.07 107.39 3hfg h GLY 248 Ca 0.24 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 3hfg h GLY 248 CO -0.34 0.38 -0.43 -1.33 0.00 0.00 0.00 176.54 174.83 3hfg h GLY 249 N 0.91 0.80 0.90 4.60 0.00 -0.62 -1.18 103.07 108.47 3hfg h GLY 249 Ca 0.21 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3hfg h GLY 249 CO -0.03 0.82 -0.05 0.00 0.00 0.00 0.00 176.54 177.28 3hfg h ALA 250 N 0.65 -0.15 0.00 3.60 0.00 -0.95 -2.51 119.26 119.91 3hfg h ALA 250 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hfg h ALA 250 Cb 1.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hfg h ALA 250 CO 0.10 -0.53 0.00 1.28 0.00 0.00 0.00 179.25 180.10 3hfg n LEU 251 N -5.10 0.00 -2.81 0.00 4.77 -0.38 -4.81 117.00 108.66 3hfg n LEU 251 Ca -0.08 0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.85 3hfg n LEU 251 Cb 0.13 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3hfg n LEU 251 CO 0.34 -0.12 -0.11 0.54 -1.33 0.00 0.00 177.39 176.71 3hfg n ARG 252 N -1.16 -3.31 -2.31 3.23 1.74 -0.94 -4.94 116.66 108.96 3hfg n ARG 252 Ca 0.05 0.80 -0.41 0.00 -0.77 0.00 0.00 57.85 57.52 3hfg n ARG 252 Cb 0.05 -5.54 -0.03 0.00 -1.02 0.00 0.00 32.46 25.92 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 -5.46 4.49 0.28 5.56 -0.21 -0.49 -4.86 119.66 118.96 3hfg s GLN 253 Ca 0.19 1.99 -0.01 0.00 0.02 0.00 0.00 55.36 57.54 3hfg s GLN 253 Cb -0.09 -3.16 0.40 0.00 1.00 0.00 0.00 33.01 31.17 3hfg s GLN 253 CO 0.23 -0.03 1.80 0.93 -2.12 0.00 0.00 175.29 176.10 3hfg h GLU 254 N 4.12 0.76 -3.47 2.91 5.08 -1.89 -3.39 114.58 118.72 3hfg h GLU 254 Ca -0.47 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 57.55 3hfg h GLU 254 Cb 1.22 -0.10 -0.23 0.00 0.50 0.00 0.00 28.75 30.13 3hfg h GLU 254 CO 0.69 0.74 -0.53 -1.21 -1.00 0.00 0.00 179.01 177.70 3hfg s GLU 255 N -5.07 0.32 -0.27 2.33 2.02 -1.26 -2.05 118.70 114.72 3hfg s GLU 255 Ca -0.09 -0.12 -0.00 0.00 0.02 0.00 0.00 54.97 54.78 3hfg s GLU 255 Cb 0.15 0.14 0.08 0.00 0.10 0.00 0.00 34.13 34.60 3hfg s GLU 255 CO 0.80 -0.07 0.03 0.08 0.02 0.00 0.00 175.26 176.13 3hfg s VAL 256 N -0.68 1.15 0.12 2.63 1.01 0.26 -4.93 120.40 119.96 3hfg s VAL 256 Ca -0.08 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.51 3hfg s VAL 256 Cb -0.05 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 3hfg s VAL 256 CO 0.01 -0.39 0.49 -0.31 0.00 0.00 0.00 175.10 174.89 3hfg s TYR 257 N 1.52 3.59 -0.26 5.22 1.51 -1.26 -1.40 117.35 126.28 3hfg s TYR 257 Ca 0.03 0.94 -0.10 0.00 -1.01 0.00 0.00 57.07 56.93 3hfg s TYR 257 Cb -0.18 -2.28 0.11 0.00 -0.11 0.00 0.00 41.96 39.50 3hfg s TYR 257 CO -0.14 0.46 0.57 -0.47 -1.11 0.00 0.00 175.55 174.86 3hfg s TYR 258 N -1.45 -1.10 0.20 2.71 6.14 -1.05 -4.99 117.35 117.81 3hfg s TYR 258 Ca 0.36 2.00 -0.20 0.00 0.64 0.00 0.00 57.07 59.87 3hfg s TYR 258 Cb -0.14 0.60 0.04 0.00 0.42 0.00 0.00 41.96 42.88 3hfg s TYR 258 CO 0.19 -0.57 0.60 0.34 0.64 0.00 0.00 175.55 176.74 3hfg s ASP 259 N 2.57 -0.36 0.02 4.32 3.68 -1.26 -1.04 116.67 124.59 3hfg s ASP 259 Ca -0.05 -0.35 -0.21 0.00 2.13 0.00 0.00 52.55 54.07 3hfg s ASP 259 Cb -0.11 0.62 -0.11 0.00 -1.45 0.00 0.00 42.92 41.87 3hfg s ASP 259 CO -0.17 -1.10 1.17 0.77 0.13 0.00 0.00 175.17 175.98 3hfg h SER 260 N 2.08 -0.63 -1.98 -0.34 4.64 -1.85 -3.40 113.55 112.07 3hfg h SER 260 Ca -0.28 0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.51 3hfg h SER 260 Cb 1.28 0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3hfg h SER 260 CO 0.34 -0.41 1.50 -0.55 -0.87 0.00 0.00 176.83 176.84 3hfg s SER 261 N -3.43 5.22 0.00 4.97 0.15 -1.26 -4.89 113.70 114.46 3hfg s SER 261 Ca -0.11 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.06 3hfg s SER 261 Cb 0.01 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3hfg s SER 261 CO 0.33 -2.20 0.82 0.00 1.20 0.00 0.00 173.24 173.39 3hfg n LEU 262 N 12.71 0.00 -0.30 3.45 -0.00 -1.26 -3.29 117.00 128.31 3hfg n LEU 262 Ca 0.30 0.82 0.20 0.00 -0.00 0.00 0.00 56.01 57.33 3hfg n LEU 262 Cb 0.48 -0.32 0.47 0.00 -0.00 0.00 0.00 43.42 44.05 3hfg n LEU 262 CO 0.68 -0.32 1.22 4.11 -0.00 0.00 0.00 177.39 183.07 3hfg h TRP 263 N 0.00 0.71 0.00 1.47 5.08 -1.96 0.23 115.95 121.47 3hfg h TRP 263 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3hfg h TRP 263 Cb 0.00 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 25.95 3hfg h TRP 263 CO -0.34 0.12 0.12 1.79 -1.28 0.00 0.00 178.44 178.86 3hfg h THR 264 N 0.47 0.00 -0.85 0.12 1.35 -1.97 0.48 112.91 112.51 3hfg h THR 264 Ca 0.55 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.39 3hfg h THR 264 Cb 1.28 0.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.28 3hfg h THR 264 CO -0.28 0.00 0.46 0.74 -0.25 0.00 0.00 175.52 176.19 3hfg h THR 265 N 0.00 1.25 0.00 6.82 2.02 -1.08 -3.06 112.91 118.86 3hfg h THR 265 Ca 0.00 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3hfg h THR 265 Cb 0.25 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3hfg h THR 265 CO 0.00 0.29 0.00 -0.11 0.37 0.00 0.00 175.52 176.07 3hfg n LEU 266 N -4.36 0.00 -0.02 2.58 7.94 0.17 -2.51 117.00 120.80 3hfg n LEU 266 Ca 0.09 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.08 3hfg n LEU 266 Cb 0.10 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.88 3hfg n LEU 266 CO 0.39 0.00 -0.78 0.18 -1.11 0.00 0.00 177.39 176.06 3hfg n LEU 267 N -0.88 0.00 -0.04 -1.96 4.77 -1.16 -4.55 117.00 113.19 3hfg n LEU 267 Ca 0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 3hfg n LEU 267 Cb 0.08 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3hfg n LEU 267 CO 0.13 0.03 0.60 0.40 -1.33 0.00 0.00 177.39 177.22 3hfg h ILE 268 N 0.00 1.38 -2.24 -0.08 2.04 -1.59 -3.45 117.51 113.56 3hfg h ILE 268 Ca -0.04 -1.28 -0.61 0.00 1.00 0.00 0.00 64.86 63.93 3hfg h ILE 268 Cb 1.08 2.04 0.14 0.00 -0.74 0.00 0.00 36.82 39.35 3hfg h ILE 268 CO 0.00 0.36 -0.40 -1.14 0.00 0.00 0.00 178.15 176.97 3hfg n ARG 269 N -4.67 0.56 -3.58 2.37 0.63 -1.26 -4.97 116.66 105.74 3hfg n ARG 269 Ca -0.07 0.20 -0.29 0.00 -0.92 0.00 0.00 57.85 56.77 3hfg n ARG 269 Cb 0.33 -1.47 -0.15 0.00 0.45 0.00 0.00 32.46 31.62 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 -0.93 3.58 0.12 6.15 2.47 -1.26 -5.01 114.94 120.07 3hfg s ASN 270 Ca 0.63 -1.50 -0.20 0.00 0.42 0.00 0.00 52.86 52.20 3hfg s ASN 270 Cb -0.63 -0.49 -0.05 0.00 -1.45 0.00 0.00 41.25 38.63 3hfg s ASN 270 CO 0.58 -0.42 1.74 -0.65 -3.72 0.00 0.00 177.10 174.64 3hfg h PRO 271 N 8.13 0.12 -0.75 0.43 0.11 -1.99 -2.54 132.00 135.51 3hfg h PRO 271 Ca -0.15 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.10 3hfg h PRO 271 Cb 1.00 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 31.98 3hfg h PRO 271 CO 0.43 0.08 0.26 0.77 -0.21 0.00 0.00 178.00 179.33 3hfg h SER 272 N 0.13 0.18 -0.51 -2.05 0.02 -1.99 0.21 113.55 109.53 3hfg h SER 272 Ca 0.08 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3hfg h SER 272 Cb 0.06 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3hfg h SER 272 CO -0.09 0.05 0.30 -0.09 -1.14 0.00 0.00 176.83 175.86 3hfg h ARG 273 N 0.37 0.59 -0.81 3.45 2.43 -1.92 -2.37 114.38 116.12 3hfg h ARG 273 Ca 0.42 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3hfg h ARG 273 Cb 0.68 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3hfg h ARG 273 CO -0.45 0.39 0.35 0.87 -1.51 0.00 0.00 179.97 179.63 3hfg h LYS 274 N 0.61 1.19 -0.09 0.20 1.57 -0.35 -2.74 116.57 116.94 3hfg h LYS 274 Ca 0.21 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hfg h LYS 274 Cb 0.03 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3hfg h LYS 274 CO -0.10 0.94 0.05 0.82 -0.57 0.00 0.00 179.45 180.59 3hfg h ILE 275 N 1.17 1.09 -0.04 1.86 2.04 -0.36 -2.56 117.51 120.70 3hfg h ILE 275 Ca 0.27 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 3hfg h ILE 275 Cb 0.17 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3hfg h ILE 275 CO -0.03 0.08 -0.14 -0.07 0.00 0.00 0.00 178.15 177.99 3hfg h LEU 276 N 0.05 0.06 -0.97 1.44 3.38 -1.35 -1.56 115.31 116.36 3hfg h LEU 276 Ca 0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3hfg h LEU 276 Cb 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hfg h LEU 276 CO -0.00 0.21 -0.28 -0.33 0.09 0.00 0.00 178.44 178.12 3hfg h GLU 277 N 0.06 0.41 -0.09 1.13 5.08 -1.24 -3.00 114.58 116.93 3hfg h GLU 277 Ca 0.01 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 3hfg h GLU 277 Cb 0.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hfg h GLU 277 CO 0.02 0.66 -0.66 0.74 -1.00 0.00 0.00 179.01 178.77 3hfg h PHE 278 N 0.36 0.49 0.00 4.33 0.05 -0.91 -2.74 116.94 118.52 3hfg h PHE 278 Ca 0.05 -0.20 0.00 0.00 3.82 0.00 0.00 57.97 61.64 3hfg h PHE 278 Cb 0.69 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.55 3hfg h PHE 278 CO 0.02 0.93 0.00 -0.07 -0.18 0.00 0.00 178.31 179.00 3hfg h LEU 279 N 0.27 0.00 0.00 1.54 3.38 -1.24 -2.67 115.31 116.59 3hfg h LEU 279 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hfg h LEU 279 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3hfg h LEU 279 CO 0.11 0.00 -1.03 -1.22 0.09 0.00 0.00 178.44 176.39 3hfg n TYR 280 N -2.65 0.00 -1.98 1.13 0.53 -1.23 -5.11 117.16 107.85 3hfg n TYR 280 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.89 3hfg n TYR 280 Cb 0.27 -0.13 0.00 0.00 -1.03 0.00 0.00 39.34 38.45 3hfg n TYR 280 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29