#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfe s ARG 3 N 0.00 2.64 -0.18 4.33 0.52 -1.26 -4.99 118.95 120.01 1hfe s ARG 3 Ca 0.00 0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 55.87 1hfe s ARG 3 Cb 0.00 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 1hfe s ARG 3 CO 0.00 -1.26 0.16 0.99 0.02 0.00 0.00 175.30 175.21 1hfe s THR 4 N -3.13 5.40 -0.14 0.02 2.01 -0.78 -4.82 115.64 114.21 1hfe s THR 4 Ca 0.59 0.26 -0.21 0.00 0.31 0.00 0.00 61.69 62.64 1hfe s THR 4 Cb -0.14 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1hfe s THR 4 CO 0.54 0.46 0.61 -0.69 -0.69 0.00 0.00 174.62 174.86 1hfe s VAL 5 N 0.13 5.07 -0.19 3.82 1.01 -1.26 -0.27 120.40 128.70 1hfe s VAL 5 Ca 0.11 1.19 -0.01 0.00 0.00 0.00 0.00 61.98 63.27 1hfe s VAL 5 Cb -0.12 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.38 1hfe s VAL 5 CO 0.00 0.20 -0.02 -0.04 0.00 0.00 0.00 175.10 175.24 1hfe s MET 6 N 1.31 1.14 -1.24 2.72 -1.94 0.36 -4.81 119.30 116.83 1hfe s MET 6 Ca 0.30 -0.56 -0.11 0.00 -1.71 0.00 0.00 55.69 53.61 1hfe s MET 6 Cb -0.16 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.54 1hfe s MET 6 CO 0.12 -0.55 0.67 0.39 -0.01 0.00 0.00 175.02 175.65 1hfe n GLU 7 N 4.91 -2.51 0.00 2.03 -0.58 -1.26 -2.14 120.64 121.09 1hfe n GLU 7 Ca -0.11 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1hfe n GLU 7 Cb 0.47 -4.47 0.00 0.00 -0.57 0.00 0.00 31.44 26.86 1hfe n GLU 7 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1hfe n ARG 8 N -4.24 0.00 -3.47 3.49 5.12 -1.26 -4.70 116.66 111.61 1hfe n ARG 8 Ca -0.19 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.36 1hfe n ARG 8 Cb 0.64 -1.02 -0.06 0.00 -1.16 0.00 0.00 32.46 30.85 1hfe n ARG 8 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1hfe s ILE 9 N -0.52 5.23 0.36 0.55 -1.09 -0.91 -5.02 121.20 119.79 1hfe s ILE 9 Ca 0.00 0.71 -0.26 0.00 -2.23 0.00 0.00 60.65 58.88 1hfe s ILE 9 Cb 0.00 -3.70 -0.09 0.00 -1.58 0.00 0.00 42.46 37.09 1hfe s ILE 9 CO 0.00 0.40 1.06 -1.61 -1.23 0.00 0.00 174.94 173.56 1hfe s GLU 10 N 0.25 4.34 -0.03 2.79 2.02 -1.26 -0.49 118.70 126.32 1hfe s GLU 10 Ca 0.21 1.59 0.03 0.00 0.02 0.00 0.00 54.97 56.81 1hfe s GLU 10 Cb -0.14 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1hfe s GLU 10 CO 0.07 -0.00 -0.10 0.71 0.02 0.00 0.00 175.26 175.97 1hfe s TYR 11 N -1.49 1.00 0.09 1.61 1.51 0.62 -1.56 117.35 119.14 1hfe s TYR 11 Ca 0.53 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 56.05 1hfe s TYR 11 Cb -0.25 -0.72 -0.06 0.00 -0.11 0.00 0.00 41.96 40.83 1hfe s TYR 11 CO 0.32 -0.11 0.90 -1.21 -1.11 0.00 0.00 175.55 174.34 1hfe s GLU 12 N 0.21 4.64 -1.40 -0.62 0.41 -0.44 -1.86 118.70 119.63 1hfe s GLU 12 Ca -0.04 1.34 -0.07 0.00 -0.41 0.00 0.00 54.97 55.80 1hfe s GLU 12 Cb -0.09 -3.37 0.07 0.00 -1.78 0.00 0.00 34.13 28.95 1hfe s GLU 12 CO 0.01 0.23 2.53 -1.33 -0.49 0.00 0.00 175.26 176.21 1hfe n MET 13 N 2.81 4.36 -4.00 1.61 2.81 -1.26 -3.53 117.12 119.92 1hfe n MET 13 Ca 0.01 -3.14 -0.34 0.00 -1.81 0.00 0.00 57.70 52.42 1hfe n MET 13 Cb 0.49 -2.68 -0.15 0.00 -0.71 0.00 0.00 33.22 30.18 1hfe n MET 13 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1hfe s HIS 14 N -0.28 2.93 -0.32 2.03 5.04 -1.26 -4.92 115.29 118.51 1hfe s HIS 14 Ca 0.58 -1.40 -0.14 0.00 -1.54 0.00 0.00 55.06 52.56 1hfe s HIS 14 Cb 0.18 -2.02 -0.02 0.00 0.04 0.00 0.00 32.58 30.76 1hfe s HIS 14 CO -0.09 -0.70 0.31 0.99 -2.34 0.00 0.00 174.74 172.92 1hfe s THR 15 N 1.36 5.21 0.49 0.89 2.01 -1.20 -0.73 115.64 123.68 1hfe s THR 15 Ca 0.04 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.88 1hfe s THR 15 Cb -0.15 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.56 1hfe s THR 15 CO -0.07 0.01 1.40 -2.84 -0.69 0.00 0.00 174.62 172.43 1hfe s PRO 16 N 1.93 3.44 0.40 4.92 0.02 -1.26 -4.95 135.00 139.49 1hfe s PRO 16 Ca 0.10 2.36 -0.26 0.00 0.02 0.00 0.00 61.00 63.22 1hfe s PRO 16 Cb -0.17 -2.48 -0.09 0.00 0.02 0.00 0.00 34.50 31.79 1hfe s PRO 16 CO 0.11 -1.00 1.27 0.34 -0.33 0.00 0.00 177.00 177.39 1hfe s ASP 17 N -0.68 6.40 0.63 2.53 -1.08 -1.26 -4.89 116.67 118.32 1hfe s ASP 17 Ca 0.66 2.58 0.34 0.00 -0.52 0.00 0.00 52.55 55.60 1hfe s ASP 17 Cb -0.43 -2.63 1.89 0.00 -1.46 0.00 0.00 42.92 40.29 1hfe s ASP 17 CO 0.53 -0.78 2.16 -0.65 0.52 0.00 0.00 175.17 176.95 1hfe h PRO 18 N 2.74 0.00 -0.31 4.34 0.11 -1.95 -0.32 132.00 136.61 1hfe h PRO 18 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hfe h PRO 18 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1hfe h PRO 18 CO 0.63 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.05 1hfe n LYS 19 N -3.42 2.23 -1.94 1.05 5.02 -1.26 -4.98 118.16 114.85 1hfe n LYS 19 Ca -0.01 -1.86 -0.38 0.00 -2.02 0.00 0.00 58.31 54.05 1hfe n LYS 19 Cb 0.24 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1hfe n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hfe s ALA 20 N -1.61 2.85 -0.44 7.82 0.00 -0.13 -4.97 121.76 125.28 1hfe s ALA 20 Ca 0.36 1.19 -0.23 0.00 0.00 0.00 0.00 51.96 53.29 1hfe s ALA 20 Cb 0.21 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1hfe s ALA 20 CO 0.29 -1.14 0.75 0.34 0.00 0.00 0.00 175.76 176.01 1hfe s ASP 21 N -1.11 6.40 0.61 0.00 -1.08 -1.26 -4.85 116.67 115.38 1hfe s ASP 21 Ca 0.69 -0.12 0.37 0.00 -0.52 0.00 0.00 52.55 52.98 1hfe s ASP 21 Cb -0.36 -2.37 2.00 0.00 -1.46 0.00 0.00 42.92 40.73 1hfe s ASP 21 CO 0.43 -0.87 2.25 1.55 0.52 0.00 0.00 175.17 179.05 1hfe h PRO 22 N 8.91 0.00 0.00 4.34 0.13 -1.88 -0.31 132.00 143.19 1hfe h PRO 22 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1hfe h PRO 22 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1hfe h PRO 22 CO 0.94 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.48 1hfe n ASP 23 N -3.34 0.20 -0.96 1.44 8.00 -1.26 -2.60 116.55 118.03 1hfe n ASP 23 Ca -0.02 0.54 0.08 0.00 0.71 0.00 0.00 54.79 56.09 1hfe n ASP 23 Cb 0.13 -0.59 0.26 0.00 -0.02 0.00 0.00 41.12 40.90 1hfe n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hfe n LYS 24 N -1.71 3.12 -4.87 -1.24 5.02 -0.13 -4.80 118.16 113.55 1hfe n LYS 24 Ca 0.05 -2.72 -0.27 0.00 -2.02 0.00 0.00 58.31 53.34 1hfe n LYS 24 Cb 0.26 -1.77 -0.15 0.00 -0.02 0.00 0.00 35.03 33.35 1hfe n LYS 24 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hfe s LEU 25 N -2.42 2.10 0.06 -0.35 1.43 -1.07 -5.02 118.68 113.41 1hfe s LEU 25 Ca 0.40 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 1hfe s LEU 25 Cb 0.30 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1hfe s LEU 25 CO 0.12 0.22 0.53 -1.00 0.23 0.00 0.00 176.35 176.44 1hfe s HIS 26 N -0.64 3.77 -0.10 0.29 3.76 -1.26 -4.97 115.29 116.15 1hfe s HIS 26 Ca 0.08 1.19 -0.00 0.00 -0.15 0.00 0.00 55.06 56.18 1hfe s HIS 26 Cb -0.09 -2.44 -0.06 0.00 1.11 0.00 0.00 32.58 31.11 1hfe s HIS 26 CO 0.00 0.59 -0.09 1.19 -0.85 0.00 0.00 174.74 175.58 1hfe n PHE 27 N 1.67 0.00 -4.53 1.40 3.01 -1.26 -4.58 117.46 113.17 1hfe n PHE 27 Ca -0.11 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.04 1hfe n PHE 27 Cb 0.51 -0.37 -0.11 0.00 -0.01 0.00 0.00 39.48 39.50 1hfe n PHE 27 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1hfe s VAL 28 N -2.19 3.16 0.06 -4.37 -7.23 -1.26 -0.33 120.40 108.23 1hfe s VAL 28 Ca -0.13 -1.06 -0.09 0.00 -1.81 0.00 0.00 61.98 58.88 1hfe s VAL 28 Cb 0.04 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1hfe s VAL 28 CO 0.22 0.32 0.20 -1.10 -0.31 0.00 0.00 175.10 174.43 1hfe s GLN 29 N -1.54 0.75 -0.13 4.82 -0.21 -0.56 -4.89 119.66 117.90 1hfe s GLN 29 Ca 0.16 -0.74 -0.03 0.00 0.02 0.00 0.00 55.36 54.78 1hfe s GLN 29 Cb -0.11 0.31 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 1hfe s GLN 29 CO 0.07 -0.23 -0.04 0.42 -2.12 0.00 0.00 175.29 173.39 1hfe s ILE 30 N -3.03 3.87 -0.70 1.08 1.01 -1.26 -0.88 121.20 121.28 1hfe s ILE 30 Ca -0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 1hfe s ILE 30 Cb 0.01 -2.67 0.05 0.00 0.01 0.00 0.00 42.46 39.87 1hfe s ILE 30 CO -0.06 0.52 1.10 -0.62 0.00 0.00 0.00 174.94 175.88 1hfe s ASP 31 N 0.05 6.17 0.64 3.58 -1.08 0.11 -4.89 116.67 121.25 1hfe s ASP 31 Ca -0.00 -0.78 0.37 0.00 -0.52 0.00 0.00 52.55 51.62 1hfe s ASP 31 Cb -0.13 -2.48 2.07 0.00 -1.46 0.00 0.00 42.92 40.92 1hfe s ASP 31 CO 0.03 -1.60 2.24 -0.33 0.52 0.00 0.00 175.17 176.03 1hfe h GLU 32 N 9.76 0.00 0.00 4.34 5.08 -1.85 -0.17 114.58 131.73 1hfe h GLU 32 Ca -0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1hfe h GLU 32 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1hfe h GLU 32 CO 1.22 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 179.04 1hfe h ALA 33 N 1.87 0.98 0.00 3.43 0.00 -1.96 -3.14 119.26 120.44 1hfe h ALA 33 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1hfe h ALA 33 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1hfe h ALA 33 CO -0.00 0.24 -1.59 1.63 0.00 0.00 0.00 179.25 179.53 1hfe n LYS 34 N -3.29 0.49 -2.34 0.00 5.02 -0.11 -4.96 118.16 112.97 1hfe n LYS 34 Ca 0.01 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.76 1hfe n LYS 34 Cb 0.45 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1hfe n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hfe n ILE 36 N 3.77 0.41 -3.26 0.00 -5.35 -1.26 -4.56 119.36 109.11 1hfe n ILE 36 Ca 0.09 -0.71 -0.16 0.00 -0.27 0.00 0.00 62.75 61.70 1hfe n ILE 36 Cb 0.45 1.01 0.07 0.00 -1.74 0.00 0.00 39.64 39.43 1hfe n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hfe n GLY 37 N 1.04 -0.22 0.09 3.28 0.00 -1.25 -4.16 105.19 103.97 1hfe n GLY 37 Ca 0.14 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1hfe n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfe n ASP 39 N -2.14 -1.11 -0.10 0.00 8.00 -1.26 -4.91 116.55 115.03 1hfe n ASP 39 Ca 0.06 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.49 1hfe n ASP 39 Cb 0.42 -0.70 0.01 0.00 -0.02 0.00 0.00 41.12 40.82 1hfe n ASP 39 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1hfe h THR 40 N 0.00 0.96 -0.68 -3.53 2.02 -1.95 -1.04 112.91 108.69 1hfe h THR 40 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1hfe h THR 40 Cb 0.06 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1hfe h THR 40 CO 0.00 0.06 0.44 0.00 0.37 0.00 0.00 175.52 176.39 1hfe h SER 42 N 0.92 0.29 1.31 0.00 0.02 -1.77 0.13 113.55 114.45 1hfe h SER 42 Ca 0.25 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1hfe h SER 42 Cb -0.09 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1hfe h SER 42 CO -0.05 0.32 0.00 1.56 -1.14 0.00 0.00 176.83 177.51 1hfe h GLN 43 N 0.32 0.00 0.00 3.45 1.08 -0.34 -3.14 115.11 116.48 1hfe h GLN 43 Ca 0.08 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.05 1hfe h GLN 43 Cb 0.15 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1hfe h GLN 43 CO -0.00 0.00 -1.91 0.66 -0.95 0.00 0.00 178.83 176.63 1hfe n TYR 44 N -2.57 0.46 -1.88 2.96 4.01 -0.21 -4.95 117.16 114.98 1hfe n TYR 44 Ca 0.03 0.16 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 1hfe n TYR 44 Cb 0.38 -0.97 -0.03 0.00 -0.31 0.00 0.00 39.34 38.41 1hfe n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hfe h PRO 46 N 9.34 0.00 -0.07 0.00 0.13 -1.89 -3.31 132.00 136.20 1hfe h PRO 46 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1hfe h PRO 46 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1hfe h PRO 46 CO 0.94 0.07 0.00 0.25 -0.23 0.00 0.00 178.00 179.03 1hfe n THR 47 N -3.16 0.76 -3.80 1.56 -2.24 -1.26 -4.65 114.28 101.48 1hfe n THR 47 Ca 0.01 -0.88 -0.26 0.00 -2.27 0.00 0.00 64.05 60.65 1hfe n THR 47 Cb 0.40 0.63 0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1hfe n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hfe n ALA 48 N -0.13 -1.57 0.84 6.98 0.00 -1.25 -4.87 120.51 120.52 1hfe n ALA 48 Ca 0.03 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1hfe n ALA 48 Cb 0.24 -3.62 0.48 0.00 0.00 0.00 0.00 19.45 16.56 1hfe n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hfe n ALA 49 N -4.56 2.46 -2.52 0.00 0.00 -1.26 -4.73 120.51 109.90 1hfe n ALA 49 Ca -0.09 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1hfe n ALA 49 Cb 0.59 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 1hfe n ALA 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hfe s ILE 50 N -3.05 5.09 0.11 0.00 1.01 -1.26 -4.24 121.20 118.86 1hfe s ILE 50 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 1hfe s ILE 50 Cb 0.16 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1hfe s ILE 50 CO 0.58 -0.28 0.42 -0.36 0.00 0.00 0.00 174.94 175.30 1hfe s PHE 51 N 2.18 3.56 0.00 3.97 0.40 0.35 -4.89 117.98 123.54 1hfe s PHE 51 Ca 0.14 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 1hfe s PHE 51 Cb -0.16 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.21 1hfe s PHE 51 CO 0.13 0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.94 1hfe n GLY 52 N 0.69 4.45 3.86 4.36 0.00 -1.26 -1.28 105.19 116.01 1hfe n GLY 52 Ca -0.06 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1hfe n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hfe s GLU 53 N -3.67 2.93 0.19 1.61 2.02 -1.26 -4.95 118.70 115.57 1hfe s GLU 53 Ca 0.00 0.65 -0.33 0.00 0.02 0.00 0.00 54.97 55.31 1hfe s GLU 53 Cb 0.00 -2.01 -0.13 0.00 0.10 0.00 0.00 34.13 32.09 1hfe s GLU 53 CO 0.00 -1.03 1.67 -0.12 0.02 0.00 0.00 175.26 175.81 1hfe n MET 54 N -3.04 2.55 -0.59 1.61 1.56 -1.26 -1.29 117.12 116.67 1hfe n MET 54 Ca 0.07 0.92 0.00 0.00 -0.27 0.00 0.00 57.70 58.42 1hfe n MET 54 Cb 0.56 -2.74 0.00 0.00 2.15 0.00 0.00 33.22 33.18 1hfe n MET 54 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1hfe n GLY 55 N 3.77 1.45 3.54 -5.12 0.00 0.11 -5.02 105.19 103.93 1hfe n GLY 55 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1hfe n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hfe s GLU 56 N -0.14 1.92 0.26 1.61 0.41 -0.41 -4.55 118.70 117.80 1hfe s GLU 56 Ca 0.00 -1.48 -0.31 0.00 -0.41 0.00 0.00 54.97 52.77 1hfe s GLU 56 Cb 0.00 -2.00 -0.13 0.00 -1.78 0.00 0.00 34.13 30.22 1hfe s GLU 56 CO 0.00 0.38 1.49 -2.30 -0.49 0.00 0.00 175.26 174.34 1hfe n PRO 57 N -0.32 2.30 -3.68 0.39 -0.02 -1.26 -3.81 135.00 128.60 1hfe n PRO 57 Ca -0.09 0.82 -0.22 0.00 -2.02 0.00 0.00 63.50 61.99 1hfe n PRO 57 Cb 0.58 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1hfe n PRO 57 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1hfe s HIS 58 N -0.01 3.46 0.23 6.00 3.76 -1.26 -4.56 115.29 122.91 1hfe s HIS 58 Ca 0.67 0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 55.52 1hfe s HIS 58 Cb -0.59 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.40 1hfe s HIS 58 CO 0.49 0.28 0.64 -1.54 -0.85 0.00 0.00 174.74 173.75 1hfe s SER 59 N -4.01 -0.34 -0.62 1.40 1.04 -0.40 -4.63 113.70 106.13 1hfe s SER 59 Ca 0.37 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1hfe s SER 59 Cb -0.09 0.66 0.15 0.00 0.10 0.00 0.00 66.02 66.84 1hfe s SER 59 CO 0.32 -1.18 0.40 -0.63 0.98 0.00 0.00 173.24 173.14 1hfe s ILE 60 N -3.87 2.99 0.22 -1.02 1.01 -1.26 -0.50 121.20 118.77 1hfe s ILE 60 Ca 0.08 -3.62 0.19 0.00 0.00 0.00 0.00 60.65 57.30 1hfe s ILE 60 Cb -0.03 -2.99 0.14 0.00 0.01 0.00 0.00 42.46 39.58 1hfe s ILE 60 CO -0.00 -0.90 1.77 1.55 0.00 0.00 0.00 174.94 177.36 1hfe h PRO 61 N 6.19 0.00 -4.49 2.79 0.13 -1.95 -3.42 132.00 131.24 1hfe h PRO 61 Ca 0.02 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.51 1hfe h PRO 61 Cb 0.85 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.60 1hfe h PRO 61 CO 0.72 0.36 -0.77 -1.01 -0.23 0.00 0.00 178.00 177.06 1hfe s HIS 62 N -3.73 2.86 0.50 1.56 3.76 -1.26 -4.97 115.29 114.00 1hfe s HIS 62 Ca -0.01 -2.17 0.25 0.00 -0.15 0.00 0.00 55.06 52.98 1hfe s HIS 62 Cb 0.12 -1.97 1.50 0.00 1.11 0.00 0.00 32.58 33.34 1hfe s HIS 62 CO 0.68 -0.85 2.13 0.97 -0.85 0.00 0.00 174.74 176.83 1hfe h ILE 63 N 6.67 0.69 0.00 0.60 -0.00 -1.95 -2.21 117.51 121.31 1hfe h ILE 63 Ca -0.15 -0.30 -0.03 0.00 -0.00 0.00 0.00 64.86 64.38 1hfe h ILE 63 Cb 1.05 1.18 -0.00 0.00 -0.00 0.00 0.00 36.82 39.05 1hfe h ILE 63 CO 0.45 0.07 -0.12 -0.33 -0.00 0.00 0.00 178.15 178.22 1hfe h GLU 64 N 0.00 0.00 0.00 2.19 3.07 -1.93 -2.65 114.58 115.25 1hfe h GLU 64 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1hfe h GLU 64 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1hfe h GLU 64 CO 0.01 0.12 -0.96 0.00 -1.40 0.00 0.00 179.01 176.78 1hfe h ALA 65 N 1.88 0.51 -2.63 3.43 0.00 -1.80 -3.47 119.26 117.19 1hfe h ALA 65 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1hfe h ALA 65 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1hfe h ALA 65 CO 0.02 0.00 0.20 0.00 0.00 0.00 0.00 179.25 179.47 1hfe n ILE 67 N 3.07 1.60 -2.21 0.00 -5.35 -1.26 -4.97 119.36 110.23 1hfe n ILE 67 Ca -0.01 -1.20 -0.19 0.00 -0.27 0.00 0.00 62.75 61.08 1hfe n ILE 67 Cb 0.50 0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 1hfe n ILE 67 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1hfe n ASN 68 N 0.95 -5.45 0.21 7.28 3.02 -1.26 -4.35 115.26 115.66 1hfe n ASN 68 Ca 0.23 0.13 0.07 0.00 -0.03 0.00 0.00 54.58 54.98 1hfe n ASN 68 Cb 0.77 -4.61 0.43 0.00 -0.61 0.00 0.00 39.78 35.76 1hfe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hfe n GLY 70 N -0.03 0.41 0.24 0.00 0.00 -1.26 -2.88 105.19 101.67 1hfe n GLY 70 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1hfe n GLY 70 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1hfe h GLN 71 N 0.91 0.00 -0.07 1.61 1.08 -1.91 -1.13 115.11 115.61 1hfe h GLN 71 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1hfe h GLN 71 Cb 0.24 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1hfe h GLN 71 CO 0.00 0.20 -0.12 0.00 -0.95 0.00 0.00 178.83 177.96 1hfe h LEU 73 N -0.27 0.14 0.00 0.00 6.46 -1.75 -2.01 115.31 117.88 1hfe h LEU 73 Ca 0.01 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1hfe h LEU 73 Cb 0.68 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1hfe h LEU 73 CO 0.03 0.12 0.00 0.35 -0.62 0.00 0.00 178.44 178.31 1hfe n THR 74 N -5.02 0.14 -0.03 1.05 -2.24 -0.49 -3.40 114.28 104.29 1hfe n THR 74 Ca 0.02 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1hfe n THR 74 Cb 0.15 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1hfe n THR 74 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1hfe n HIS 75 N -1.17 0.00 -1.96 4.78 8.25 -0.84 -4.66 115.22 119.62 1hfe n HIS 75 Ca 0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 1hfe n HIS 75 Cb 0.15 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 1hfe n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hfe h PRO 77 N 10.50 0.00 -0.14 0.00 0.13 -1.93 -3.03 132.00 137.54 1hfe h PRO 77 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1hfe h PRO 77 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1hfe h PRO 77 CO 0.97 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.13 1hfe n GLU 78 N -2.62 2.22 -3.36 0.86 -0.58 -1.26 -4.59 120.64 111.32 1hfe n GLU 78 Ca 0.02 -1.80 -0.24 0.00 -0.42 0.00 0.00 57.16 54.71 1hfe n GLU 78 Cb 0.29 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 29.72 1hfe n GLU 78 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1hfe n ASN 79 N 1.12 -5.55 -0.09 1.62 2.85 -1.15 -4.88 115.26 109.18 1hfe n ASN 79 Ca 0.16 -0.44 0.12 0.00 -0.11 0.00 0.00 54.58 54.31 1hfe n ASN 79 Cb 0.54 -4.46 0.21 0.00 1.24 0.00 0.00 39.78 37.31 1hfe n ASN 79 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1hfe n ALA 80 N -4.06 3.63 -2.89 5.20 0.00 -1.26 -4.88 120.51 116.25 1hfe n ALA 80 Ca -0.04 -0.42 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1hfe n ALA 80 Cb 0.58 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 1hfe n ALA 80 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hfe s ILE 81 N -2.85 4.53 0.38 0.00 1.01 -1.26 0.06 121.20 123.07 1hfe s ILE 81 Ca 0.14 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.74 1hfe s ILE 81 Cb 0.18 -3.06 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 1hfe s ILE 81 CO 0.68 0.43 -0.01 -0.72 0.00 0.00 0.00 174.94 175.32 1hfe s TYR 82 N 0.74 2.40 -0.08 3.97 -0.85 -0.06 -4.67 117.35 118.80 1hfe s TYR 82 Ca 0.03 -0.68 -0.12 0.00 -0.52 0.00 0.00 57.07 55.78 1hfe s TYR 82 Cb -0.14 -1.61 -0.05 0.00 0.38 0.00 0.00 41.96 40.55 1hfe s TYR 82 CO 0.02 0.41 0.28 -1.21 -1.52 0.00 0.00 175.55 173.53 1hfe s GLU 83 N -3.72 3.82 0.03 -3.49 2.02 -0.60 -1.49 118.70 115.27 1hfe s GLU 83 Ca 0.34 0.13 0.24 0.00 0.02 0.00 0.00 54.97 55.70 1hfe s GLU 83 Cb 0.08 -3.26 0.21 0.00 0.10 0.00 0.00 34.13 31.26 1hfe s GLU 83 CO 0.17 0.62 1.18 0.00 0.02 0.00 0.00 175.26 177.26 1hfe n ALA 84 N 2.28 3.61 -2.76 5.21 0.00 0.55 -1.33 120.51 128.07 1hfe n ALA 84 Ca -0.16 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.66 1hfe n ALA 84 Cb 0.53 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 1hfe n ALA 84 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1hfe s GLN 85 N -3.09 1.23 -0.13 0.00 -1.52 -1.26 -4.43 119.66 110.47 1hfe s GLN 85 Ca 0.07 -0.47 -0.08 0.00 -1.95 0.00 0.00 55.36 52.92 1hfe s GLN 85 Cb 0.16 -1.15 0.04 0.00 -0.22 0.00 0.00 33.01 31.84 1hfe s GLN 85 CO 0.77 0.24 0.31 0.45 -0.25 0.00 0.00 175.29 176.81 1hfe s SER 86 N -0.12 -0.35 0.00 5.90 0.15 0.09 -4.87 113.70 114.51 1hfe s SER 86 Ca 0.01 0.66 0.24 0.00 0.70 0.00 0.00 55.95 57.56 1hfe s SER 86 Cb -0.08 0.59 0.26 0.00 -1.71 0.00 0.00 66.02 65.09 1hfe s SER 86 CO 0.00 -0.15 1.30 0.79 1.20 0.00 0.00 173.24 176.38 1hfe n TRP 87 N 3.75 0.16 -0.21 3.44 8.01 -1.26 -3.20 117.44 128.12 1hfe n TRP 87 Ca -0.20 -0.08 0.01 0.00 -1.31 0.00 0.00 57.50 55.92 1hfe n TRP 87 Cb 0.55 -0.00 0.11 0.00 -2.01 0.00 0.00 31.31 29.96 1hfe n TRP 87 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1hfe h VAL 88 N 4.63 0.50 -0.55 -0.99 2.07 -1.95 -0.42 116.25 119.53 1hfe h VAL 88 Ca 0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1hfe h VAL 88 Cb 0.99 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1hfe h VAL 88 CO 0.00 0.03 0.34 -0.65 0.02 0.00 0.00 177.57 177.31 1hfe h PRO 89 N 0.14 0.74 -0.17 1.57 0.11 -1.97 -1.18 132.00 131.25 1hfe h PRO 89 Ca 0.33 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.26 1hfe h PRO 89 Cb 0.54 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1hfe h PRO 89 CO -0.52 0.51 -0.39 1.49 -0.21 0.00 0.00 178.00 178.88 1hfe h GLU 90 N 0.76 0.57 -0.53 1.05 4.81 -1.54 -2.81 114.58 116.89 1hfe h GLU 90 Ca 0.20 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1hfe h GLU 90 Cb -0.04 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1hfe h GLU 90 CO -0.04 1.00 0.17 0.28 -0.73 0.00 0.00 179.01 179.69 1hfe h VAL 91 N 0.23 1.21 -0.53 0.32 2.07 -0.78 -1.11 116.25 117.66 1hfe h VAL 91 Ca 0.00 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1hfe h VAL 91 Cb 1.00 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1hfe h VAL 91 CO 0.09 0.27 0.35 -0.33 0.02 0.00 0.00 177.57 177.97 1hfe h GLU 92 N 0.77 0.69 -0.36 1.57 5.08 -1.19 -1.10 114.58 120.05 1hfe h GLU 92 Ca 0.18 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1hfe h GLU 92 Cb 0.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1hfe h GLU 92 CO -0.01 0.46 0.10 0.87 -1.00 0.00 0.00 179.01 179.43 1hfe h LYS 93 N 0.72 0.57 -0.46 2.33 1.57 -1.13 -3.02 116.57 117.15 1hfe h LYS 93 Ca 0.20 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1hfe h LYS 93 Cb -0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1hfe h LYS 93 CO -0.05 0.60 0.03 0.87 -0.57 0.00 0.00 179.45 180.33 1hfe h LYS 94 N 0.43 0.73 0.00 3.15 1.79 -0.95 -2.02 116.57 119.70 1hfe h LYS 94 Ca 0.12 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1hfe h LYS 94 Cb 0.27 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1hfe h LYS 94 CO -0.00 0.72 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.91 1hfe h LEU 95 N 0.69 0.00 0.00 2.94 3.38 -1.09 -1.91 115.31 119.33 1hfe h LEU 95 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1hfe h LEU 95 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1hfe h LEU 95 CO 0.01 0.11 -0.75 0.11 0.09 0.00 0.00 178.44 178.01 1hfe h LYS 96 N 0.00 0.00 -6.55 1.13 1.57 -1.26 -3.45 116.57 108.01 1hfe h LYS 96 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1hfe h LYS 96 Cb 0.37 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 1hfe h LYS 96 CO 0.01 0.05 0.89 0.34 -0.57 0.00 0.00 179.45 180.18 1hfe s ASP 97 N -5.68 6.74 0.17 0.86 -1.08 -0.72 -4.91 116.67 112.05 1hfe s ASP 97 Ca 0.01 0.68 0.20 0.00 -0.52 0.00 0.00 52.55 52.93 1hfe s ASP 97 Cb 0.08 -2.55 0.85 0.00 -1.46 0.00 0.00 42.92 39.85 1hfe s ASP 97 CO 0.76 -1.11 1.62 0.61 0.52 0.00 0.00 175.17 177.57 1hfe n GLY 98 N 4.48 -1.17 0.03 2.66 0.00 -1.26 -1.89 105.19 108.03 1hfe n GLY 98 Ca 0.12 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1hfe n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hfe n LYS 99 N -1.98 0.10 -4.02 1.61 5.02 -1.26 -4.85 118.16 112.78 1hfe n LYS 99 Ca 0.03 0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 56.01 1hfe n LYS 99 Cb 0.21 -1.58 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 1hfe n LYS 99 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hfe s VAL 100 N -3.05 5.02 -0.62 -0.18 1.01 -0.79 -4.86 120.40 116.92 1hfe s VAL 100 Ca 0.11 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 1hfe s VAL 100 Cb 0.16 -3.20 0.16 0.00 0.00 0.00 0.00 36.38 33.50 1hfe s VAL 100 CO 0.64 0.56 0.55 -0.54 0.00 0.00 0.00 175.10 176.31 1hfe s LYS 101 N -0.52 3.05 -0.01 2.72 -0.14 0.52 -4.93 119.74 120.43 1hfe s LYS 101 Ca 0.11 -1.99 -0.30 0.00 -1.36 0.00 0.00 55.97 52.43 1hfe s LYS 101 Cb -0.12 -4.24 -0.03 0.00 -1.68 0.00 0.00 37.83 31.76 1hfe s LYS 101 CO 0.02 -1.28 1.08 0.00 -0.76 0.00 0.00 175.35 174.41 1hfe s ILE 103 N 1.44 3.44 -0.10 0.00 -1.09 0.01 -0.20 121.20 124.70 1hfe s ILE 103 Ca 0.54 -0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 58.18 1hfe s ILE 103 Cb -0.23 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 1hfe s ILE 103 CO 0.25 0.35 0.62 0.00 -1.23 0.00 0.00 174.94 174.93 1hfe s ALA 104 N 1.47 3.41 -0.60 9.38 0.00 0.00 -0.64 121.76 134.77 1hfe s ALA 104 Ca 0.05 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1hfe s ALA 104 Cb -0.15 -2.86 0.21 0.00 0.00 0.00 0.00 23.12 20.32 1hfe s ALA 104 CO -0.02 -0.13 0.58 -1.33 0.00 0.00 0.00 175.76 174.86 1hfe n MET 105 N 3.91 1.75 -2.45 0.00 0.00 -0.01 -1.37 117.12 118.95 1hfe n MET 105 Ca -0.03 -4.24 -0.40 0.00 0.00 0.00 0.00 57.70 53.04 1hfe n MET 105 Cb 0.51 -2.06 -0.04 0.00 0.00 0.00 0.00 33.22 31.63 1hfe n MET 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1hfe s PRO 106 N -1.63 4.50 0.65 0.03 0.04 -1.26 -1.76 135.00 135.57 1hfe s PRO 106 Ca 0.33 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1hfe s PRO 106 Cb 0.07 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 1hfe s PRO 106 CO -0.11 0.09 1.04 0.00 0.04 0.00 0.00 177.00 178.07 1hfe s ALA 107 N -1.26 2.91 0.20 8.56 0.00 -0.23 -1.19 121.76 130.75 1hfe s ALA 107 Ca 0.48 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1hfe s ALA 107 Cb -0.31 -3.12 0.25 0.00 0.00 0.00 0.00 23.12 19.94 1hfe s ALA 107 CO 0.39 -0.93 1.70 -1.35 0.00 0.00 0.00 175.76 175.57 1hfe h PRO 108 N -0.50 0.20 0.00 0.00 0.11 -1.90 -2.62 132.00 127.29 1hfe h PRO 108 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1hfe h PRO 108 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1hfe h PRO 108 CO 0.60 0.13 -0.05 0.00 -0.21 0.00 0.00 178.00 178.47 1hfe h ALA 109 N 1.46 1.13 -0.65 -0.75 0.00 -1.89 -3.13 119.26 115.43 1hfe h ALA 109 Ca 0.29 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1hfe h ALA 109 Cb 0.42 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1hfe h ALA 109 CO -0.40 0.06 0.41 0.28 0.00 0.00 0.00 179.25 179.61 1hfe h VAL 110 N 0.00 1.12 0.00 0.00 2.07 -1.80 -1.99 116.25 115.64 1hfe h VAL 110 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1hfe h VAL 110 Cb 0.28 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1hfe h VAL 110 CO 0.01 0.15 0.00 -2.11 0.02 0.00 0.00 177.57 175.64 1hfe n ARG 111 N -4.67 0.00 -0.09 1.57 1.85 -1.18 -1.12 116.66 113.02 1hfe n ARG 111 Ca 0.06 0.31 0.10 0.00 -1.00 0.00 0.00 57.85 57.33 1hfe n ARG 111 Cb 0.06 -1.51 0.14 0.00 -1.05 0.00 0.00 32.46 30.09 1hfe n ARG 111 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1hfe n TYR 112 N -1.52 0.23 -0.00 2.89 4.01 -0.75 -1.07 117.16 120.94 1hfe n TYR 112 Ca 0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1hfe n TYR 112 Cb 0.13 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1hfe n TYR 112 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hfe n ALA 113 N 1.23 0.00 -0.18 -0.72 0.00 -0.91 -3.74 120.51 116.19 1hfe n ALA 113 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1hfe n ALA 113 Cb 0.53 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.37 1hfe n ALA 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hfe h LEU 114 N 0.00 0.61 -2.23 0.00 5.85 -1.36 -1.32 115.31 116.86 1hfe h LEU 114 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1hfe h LEU 114 Cb 0.00 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1hfe h LEU 114 CO 0.00 0.38 -0.05 1.23 -0.34 0.00 0.00 178.44 179.66 1hfe h GLY 115 N 0.69 0.00 1.24 3.75 0.00 -1.86 -2.59 103.07 104.30 1hfe h GLY 115 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.73 1hfe h GLY 115 CO -0.11 0.00 0.34 -0.55 0.00 0.00 0.00 176.54 176.22 1hfe h ASP 116 N 0.00 0.33 0.72 0.19 5.19 -1.42 0.10 116.42 121.54 1hfe h ASP 116 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hfe h ASP 116 Cb 0.20 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1hfe h ASP 116 CO 0.01 0.21 0.00 0.00 -3.12 0.00 0.00 179.24 176.34 1hfe n ALA 117 N -2.52 2.12 -1.46 3.45 0.00 -0.98 -3.54 120.51 117.58 1hfe n ALA 117 Ca 0.07 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1hfe n ALA 117 Cb 0.30 -1.39 0.17 0.00 0.00 0.00 0.00 19.45 18.53 1hfe n ALA 117 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1hfe n PHE 118 N -1.44 0.00 -1.13 0.00 3.72 0.32 -4.98 117.46 113.94 1hfe n PHE 118 Ca 0.07 -1.23 -0.05 0.00 -0.05 0.00 0.00 57.45 56.20 1hfe n PHE 118 Cb 0.25 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1hfe n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hfe n GLY 119 N -1.13 0.71 3.92 1.37 0.00 -1.17 -4.83 105.19 104.07 1hfe n GLY 119 Ca 0.17 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1hfe n GLY 119 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hfe s MET 120 N -1.90 3.55 0.50 1.61 -1.94 -0.92 -5.04 119.30 115.16 1hfe s MET 120 Ca 0.00 -0.21 -0.23 0.00 -1.71 0.00 0.00 55.69 53.54 1hfe s MET 120 Cb 0.00 -2.70 -0.07 0.00 2.01 0.00 0.00 34.83 34.07 1hfe s MET 120 CO 0.00 0.24 1.36 -2.30 -0.01 0.00 0.00 175.02 174.31 1hfe n PRO 121 N -1.18 1.88 -1.79 2.03 -0.02 -1.26 -4.27 135.00 130.39 1hfe n PRO 121 Ca -0.04 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1hfe n PRO 121 Cb 0.55 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1hfe n PRO 121 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hfe s VAL 122 N -1.25 2.22 0.00 -1.45 1.01 -1.26 -1.58 120.40 118.08 1hfe s VAL 122 Ca 0.67 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1hfe s VAL 122 Cb -0.44 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1hfe s VAL 122 CO 0.53 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1hfe n GLY 123 N 3.89 0.62 3.77 4.51 0.00 -1.25 -5.06 105.19 111.68 1hfe n GLY 123 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1hfe n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hfe s SER 124 N -2.91 6.24 -0.49 1.61 0.01 -0.62 -4.98 113.70 112.57 1hfe s SER 124 Ca 0.00 2.81 -0.20 0.00 1.31 0.00 0.00 55.95 59.88 1hfe s SER 124 Cb 0.00 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.63 1hfe s SER 124 CO 0.00 -0.91 0.64 -0.69 0.41 0.00 0.00 173.24 172.68 1hfe s VAL 125 N -1.20 4.85 -0.24 3.43 1.01 -1.26 -4.21 120.40 122.78 1hfe s VAL 125 Ca 0.56 -0.31 0.13 0.00 0.00 0.00 0.00 61.98 62.37 1hfe s VAL 125 Cb -0.42 -4.28 0.55 0.00 0.00 0.00 0.00 36.38 32.24 1hfe s VAL 125 CO 0.54 -0.76 1.49 0.35 0.00 0.00 0.00 175.10 176.72 1hfe n THR 126 N 5.69 2.47 -0.22 3.92 -2.24 -0.24 -4.79 114.28 118.87 1hfe n THR 126 Ca -0.05 -2.13 -0.02 0.00 -2.27 0.00 0.00 64.05 59.58 1hfe n THR 126 Cb 0.46 -0.29 0.04 0.00 -2.10 0.00 0.00 70.33 68.44 1hfe n THR 126 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1hfe h THR 127 N 1.61 0.25 -0.61 4.28 2.02 -1.91 0.11 112.91 118.66 1hfe h THR 127 Ca 0.12 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 1hfe h THR 127 Cb 1.65 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1hfe h THR 127 CO 0.35 0.00 0.21 1.23 0.37 0.00 0.00 175.52 177.68 1hfe h GLY 128 N -0.08 1.01 1.38 2.16 0.00 -1.87 -1.96 103.07 103.70 1hfe h GLY 128 Ca 0.29 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1hfe h GLY 128 CO -0.69 0.54 -0.16 0.50 0.00 0.00 0.00 176.54 176.73 1hfe h LYS 129 N 0.86 0.73 -0.63 4.80 1.57 -1.58 0.14 116.57 122.47 1hfe h LYS 129 Ca 0.20 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hfe h LYS 129 Cb 0.26 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1hfe h LYS 129 CO -0.01 0.85 0.39 1.98 -0.57 0.00 0.00 179.45 182.09 1hfe h MET 130 N 0.65 0.86 -0.63 3.15 4.05 -0.38 0.57 114.93 123.20 1hfe h MET 130 Ca 0.10 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.36 1hfe h MET 130 Cb 0.64 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1hfe h MET 130 CO 0.05 0.60 0.04 -0.07 0.23 0.00 0.00 176.91 177.75 1hfe h LEU 131 N 0.86 1.06 -0.44 3.39 3.38 -1.06 -0.31 115.31 122.18 1hfe h LEU 131 Ca 0.23 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1hfe h LEU 131 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1hfe h LEU 131 CO -0.04 1.08 -0.05 0.00 0.09 0.00 0.00 178.44 179.52 1hfe h ALA 132 N 1.03 0.60 -0.73 1.53 0.00 -0.84 -2.09 119.26 118.76 1hfe h ALA 132 Ca 0.18 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1hfe h ALA 132 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1hfe h ALA 132 CO 0.03 0.45 0.22 0.00 0.00 0.00 0.00 179.25 179.94 1hfe h ALA 133 N 0.89 1.01 -0.50 0.00 0.00 -0.56 -0.10 119.26 120.01 1hfe h ALA 133 Ca 0.12 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1hfe h ALA 133 Cb 0.57 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1hfe h ALA 133 CO 0.03 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.84 1hfe h LEU 134 N 1.08 0.83 -0.26 0.00 3.38 -0.88 0.23 115.31 119.69 1hfe h LEU 134 Ca 0.23 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1hfe h LEU 134 Cb 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1hfe h LEU 134 CO -0.01 0.91 0.04 -0.61 0.09 0.00 0.00 178.44 178.86 1hfe h GLN 135 N 0.78 0.43 0.00 1.13 -0.00 -0.91 -2.43 115.11 114.11 1hfe h GLN 135 Ca 0.14 -0.12 -0.03 0.00 -0.00 0.00 0.00 58.65 58.64 1hfe h GLN 135 Cb 0.51 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.94 1hfe h GLN 135 CO 0.03 0.56 -0.15 0.87 0.00 0.00 0.00 178.83 180.13 1hfe h LYS 136 N 0.23 0.00 0.00 1.69 1.57 -0.57 -1.33 116.57 118.17 1hfe h LYS 136 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1hfe h LYS 136 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1hfe h LYS 136 CO 0.01 0.15 0.00 -0.07 -0.57 0.00 0.00 179.45 178.97 1hfe h LEU 137 N 0.00 0.00 0.00 2.94 3.38 -0.55 -3.47 115.31 117.62 1hfe h LEU 137 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hfe h LEU 137 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1hfe h LEU 137 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1hfe n GLY 138 N 0.43 1.16 3.72 0.83 0.00 -0.50 -4.93 105.19 105.90 1hfe n GLY 138 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1hfe n GLY 138 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hfe s PHE 139 N -2.00 3.25 0.29 1.61 0.08 -0.95 -4.77 117.98 115.49 1hfe s PHE 139 Ca 0.00 0.99 -0.02 0.00 0.12 0.00 0.00 56.93 58.02 1hfe s PHE 139 Cb 0.00 -3.67 0.43 0.00 -0.57 0.00 0.00 43.02 39.22 1hfe s PHE 139 CO 0.00 -2.30 1.92 0.00 -0.10 0.00 0.00 175.22 174.74 1hfe h ALA 140 N 6.63 1.35 -2.78 5.36 0.00 -0.93 -3.43 119.26 125.47 1hfe h ALA 140 Ca -0.42 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1hfe h ALA 140 Cb 1.21 -0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 1hfe h ALA 140 CO 0.85 0.54 -0.12 -1.01 0.00 0.00 0.00 179.25 179.51 1hfe s HIS 141 N -5.70 0.16 -0.47 0.00 3.76 -1.17 -5.04 115.29 106.83 1hfe s HIS 141 Ca -0.11 -0.51 0.03 0.00 -0.15 0.00 0.00 55.06 54.31 1hfe s HIS 141 Cb 0.17 0.20 0.14 0.00 1.11 0.00 0.00 32.58 34.20 1hfe s HIS 141 CO 0.79 -0.87 0.26 0.00 -0.85 0.00 0.00 174.74 174.07 1hfe s TRP 143 N 0.13 3.28 0.18 0.00 0.51 -0.47 -4.39 118.94 118.17 1hfe s TRP 143 Ca 0.18 -1.46 -0.33 0.00 -2.12 0.00 0.00 56.10 52.37 1hfe s TRP 143 Cb -0.23 -4.09 -0.13 0.00 -0.81 0.00 0.00 33.47 28.21 1hfe s TRP 143 CO -0.01 -1.30 1.64 -3.47 -0.51 0.00 0.00 176.95 173.30 1hfe n ASP 144 N 5.76 3.48 0.13 2.95 -0.08 -0.75 -4.11 116.55 123.93 1hfe n ASP 144 Ca 0.13 1.07 0.12 0.00 -1.51 0.00 0.00 54.79 54.60 1hfe n ASP 144 Cb 0.47 -1.49 0.49 0.00 2.34 0.00 0.00 41.12 42.93 1hfe n ASP 144 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1hfe n THR 145 N 3.67 0.82 0.07 5.18 -1.04 -0.33 -1.20 114.28 121.46 1hfe n THR 145 Ca 0.17 0.22 -0.04 0.00 -2.04 0.00 0.00 64.05 62.35 1hfe n THR 145 Cb 0.31 -1.14 0.18 0.00 -1.82 0.00 0.00 70.33 67.86 1hfe n THR 145 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1hfe h GLU 146 N 0.00 0.30 -0.72 -2.82 4.81 -1.89 -0.21 114.58 114.04 1hfe h GLU 146 Ca 0.00 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1hfe h GLU 146 Cb 0.37 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1hfe h GLU 146 CO 0.00 0.70 0.27 0.35 -0.73 0.00 0.00 179.01 179.60 1hfe h PHE 147 N 0.24 1.12 0.00 0.92 3.04 -1.31 -2.41 116.94 118.54 1hfe h PHE 147 Ca 0.02 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.87 1hfe h PHE 147 Cb 0.91 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1hfe h PHE 147 CO 0.02 0.87 0.00 1.79 -2.02 0.00 0.00 178.31 178.97 1hfe h THR 148 N 1.05 0.00 -0.42 4.41 1.35 -1.35 -2.03 112.91 115.92 1hfe h THR 148 Ca 0.24 -0.66 -0.08 0.00 -0.55 0.00 0.00 66.41 65.35 1hfe h THR 148 Cb 0.24 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 1hfe h THR 148 CO -0.02 0.00 -0.08 0.00 -0.25 0.00 0.00 175.52 175.17 1hfe h ALA 149 N 2.18 1.07 -0.53 6.62 0.00 -0.53 0.41 119.26 128.48 1hfe h ALA 149 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1hfe h ALA 149 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1hfe h ALA 149 CO 0.00 0.57 -0.11 -0.44 0.00 0.00 0.00 179.25 179.28 1hfe h ASP 150 N 0.67 0.99 -0.73 0.00 3.32 -1.24 -0.98 116.42 118.45 1hfe h ASP 150 Ca 0.12 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 1hfe h ASP 150 Cb 0.53 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1hfe h ASP 150 CO 0.03 1.10 0.20 0.58 -1.72 0.00 0.00 179.24 179.43 1hfe h VAL 151 N 0.88 1.26 -0.89 -1.35 2.07 -1.08 -1.29 116.25 115.85 1hfe h VAL 151 Ca 0.14 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1hfe h VAL 151 Cb 0.66 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1hfe h VAL 151 CO 0.05 0.37 0.59 0.74 0.02 0.00 0.00 177.57 179.33 1hfe h THR 152 N 1.09 1.20 -0.47 2.57 2.02 0.26 -0.75 112.91 118.83 1hfe h THR 152 Ca 0.23 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.88 1hfe h THR 152 Cb 0.34 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1hfe h THR 152 CO -0.00 0.21 -0.24 0.40 0.37 0.00 0.00 175.52 176.27 1hfe h ILE 153 N 1.17 1.27 -0.81 3.11 1.08 -0.60 0.33 117.51 123.06 1hfe h ILE 153 Ca 0.34 -1.40 -0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1hfe h ILE 153 Cb -0.08 1.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 1hfe h ILE 153 CO -0.08 0.48 0.50 -0.50 -0.69 0.00 0.00 178.15 177.86 1hfe h TRP 154 N 0.84 1.05 0.26 1.37 4.06 -0.18 0.25 115.95 123.61 1hfe h TRP 154 Ca 0.10 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.05 1hfe h TRP 154 Cb 0.81 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1hfe h TRP 154 CO 0.05 0.69 -0.13 0.93 -3.56 0.00 0.00 178.44 176.43 1hfe h GLU 155 N 1.10 -0.34 -0.26 0.49 4.39 -0.92 -2.90 114.58 116.13 1hfe h GLU 155 Ca 0.29 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 1hfe h GLU 155 Cb -0.07 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1hfe h GLU 155 CO -0.06 -0.07 -0.12 1.49 -1.16 0.00 0.00 179.01 179.10 1hfe h GLU 156 N -1.02 0.43 -0.44 2.33 4.81 -0.35 0.13 114.58 120.48 1hfe h GLU 156 Ca -0.04 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 1hfe h GLU 156 Cb 0.43 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1hfe h GLU 156 CO 0.06 0.55 -0.06 0.78 -0.73 0.00 0.00 179.01 179.62 1hfe h GLY 157 N 0.88 0.89 1.15 1.92 0.00 -0.62 0.29 103.07 107.58 1hfe h GLY 157 Ca 0.08 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 1hfe h GLY 157 CO 0.03 0.64 -0.15 1.76 0.00 0.00 0.00 176.54 178.81 1hfe h SER 158 N 0.66 1.00 -0.10 0.19 0.02 -1.27 -1.23 113.55 112.81 1hfe h SER 158 Ca 0.12 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1hfe h SER 158 Cb 0.58 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1hfe h SER 158 CO 0.03 1.13 0.06 -0.08 -1.14 0.00 0.00 176.83 176.83 1hfe h GLU 159 N 0.87 0.15 -0.59 3.45 4.81 -0.83 -1.72 114.58 120.72 1hfe h GLU 159 Ca 0.13 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1hfe h GLU 159 Cb 0.72 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1hfe h GLU 159 CO 0.05 0.18 0.34 0.35 -0.73 0.00 0.00 179.01 179.21 1hfe h PHE 160 N 0.07 0.63 -0.92 0.92 3.57 -0.71 -1.51 116.94 118.99 1hfe h PHE 160 Ca 0.04 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1hfe h PHE 160 Cb 0.08 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1hfe h PHE 160 CO -0.04 0.34 0.61 0.28 -2.23 0.00 0.00 178.31 177.26 1hfe h VAL 161 N 0.66 1.16 -0.19 1.41 2.07 -0.88 -1.50 116.25 118.98 1hfe h VAL 161 Ca 0.25 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1hfe h VAL 161 Cb 0.09 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1hfe h VAL 161 CO -0.13 0.21 -0.24 -0.33 0.02 0.00 0.00 177.57 177.10 1hfe h GLU 162 N 1.16 0.35 0.00 1.57 5.08 -0.37 -0.65 114.58 121.72 1hfe h GLU 162 Ca 0.37 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1hfe h GLU 162 Cb 0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1hfe h GLU 162 CO -0.11 0.57 -0.42 0.00 -1.00 0.00 0.00 179.01 178.05 1hfe h ARG 163 N 0.31 0.00 0.22 2.33 3.08 -0.78 0.85 114.38 120.39 1hfe h ARG 163 Ca 0.05 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.80 1hfe h ARG 163 Cb 0.60 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.68 1hfe h ARG 163 CO 0.04 0.42 -1.37 1.25 -1.07 0.00 0.00 179.97 179.25 1hfe h LEU 164 N 0.00 0.72 -0.80 3.04 6.46 -0.82 -3.20 115.31 120.71 1hfe h LEU 164 Ca -0.00 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 1hfe h LEU 164 Cb 1.11 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1hfe h LEU 164 CO 0.06 1.65 0.00 0.35 -0.62 0.00 0.00 178.44 179.88 1hfe n THR 165 N -3.81 0.22 -1.19 1.05 -2.24 -0.29 -4.91 114.28 103.12 1hfe n THR 165 Ca -0.18 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.27 1hfe n THR 165 Cb 1.03 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 1hfe n THR 165 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hfe n LYS 166 N 0.06 -1.12 0.15 -0.78 5.02 -1.01 -4.85 118.16 115.63 1hfe n LYS 166 Ca 0.12 0.64 0.13 0.00 -2.02 0.00 0.00 58.31 57.18 1hfe n LYS 166 Cb 0.22 -4.65 0.47 0.00 -0.02 0.00 0.00 35.03 31.05 1hfe n LYS 166 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1hfe h LYS 167 N 0.19 0.00 -6.31 1.97 3.64 -1.17 -3.42 116.57 111.46 1hfe h LYS 167 Ca -0.13 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.61 1hfe h LYS 167 Cb 0.76 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.29 1hfe h LYS 167 CO 0.19 0.00 -0.87 0.45 -2.27 0.00 0.00 179.45 176.96 1hfe s SER 168 N -4.72 2.72 0.22 4.20 0.15 -0.51 -4.97 113.70 110.80 1hfe s SER 168 Ca 0.06 -0.47 0.25 0.00 0.70 0.00 0.00 55.95 56.48 1hfe s SER 168 Cb 0.10 -0.28 0.50 0.00 -1.71 0.00 0.00 66.02 64.63 1hfe s SER 168 CO 0.50 0.25 1.53 0.44 1.20 0.00 0.00 173.24 177.16 1hfe h ASP 169 N 5.26 0.00 -2.76 5.45 3.32 -1.89 -3.42 116.42 122.38 1hfe h ASP 169 Ca -0.42 -0.07 -0.59 0.00 0.02 0.00 0.00 57.03 55.97 1hfe h ASP 169 Cb 1.14 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.78 1hfe h ASP 169 CO 0.46 0.03 0.52 0.23 -1.72 0.00 0.00 179.24 178.76 1hfe n MET 170 N -2.41 1.93 -1.35 3.56 2.81 -1.26 -4.95 117.12 115.46 1hfe n MET 170 Ca 0.04 0.69 -0.33 0.00 -1.81 0.00 0.00 57.70 56.29 1hfe n MET 170 Cb 0.46 -2.29 0.09 0.00 -0.71 0.00 0.00 33.22 30.78 1hfe n MET 170 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1hfe s PRO 171 N -0.85 2.13 0.07 0.03 0.04 -1.26 -4.87 135.00 130.28 1hfe s PRO 171 Ca 0.65 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.26 1hfe s PRO 171 Cb -0.65 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1hfe s PRO 171 CO 0.54 -1.79 -0.14 -0.51 0.04 0.00 0.00 177.00 175.13 1hfe s LEU 172 N -5.50 2.83 0.37 -3.56 1.43 -1.26 -4.00 118.68 108.98 1hfe s LEU 172 Ca 0.68 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.13 1hfe s LEU 172 Cb -0.23 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 1hfe s LEU 172 CO 0.49 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 176.22 1hfe s PRO 173 N -1.77 4.24 0.25 1.29 0.04 -1.24 -5.04 135.00 132.77 1hfe s PRO 173 Ca 0.17 1.66 -0.28 0.00 0.04 0.00 0.00 61.00 62.59 1hfe s PRO 173 Cb -0.11 -2.72 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 1hfe s PRO 173 CO 0.09 -0.10 0.91 -1.14 0.04 0.00 0.00 177.00 176.80 1hfe s GLN 174 N -2.21 4.75 -0.04 4.56 0.74 -0.40 -4.74 119.66 122.32 1hfe s GLN 174 Ca 0.55 1.40 0.00 0.00 0.05 0.00 0.00 55.36 57.36 1hfe s GLN 174 Cb -0.26 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 1hfe s GLN 174 CO 0.33 0.47 -0.02 -0.06 -0.55 0.00 0.00 175.29 175.47 1hfe s PHE 175 N -1.28 3.06 0.71 1.67 0.08 0.28 -0.97 117.98 121.53 1hfe s PHE 175 Ca 0.42 0.10 -0.14 0.00 0.12 0.00 0.00 56.93 57.43 1hfe s PHE 175 Cb -0.24 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1hfe s PHE 175 CO 0.29 0.43 1.13 0.95 -0.10 0.00 0.00 175.22 177.92 1hfe s THR 176 N -0.96 2.98 0.00 0.64 -4.23 -0.74 -0.98 115.64 112.36 1hfe s THR 176 Ca 0.16 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1hfe s THR 176 Cb -0.11 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1hfe s THR 176 CO 0.06 -0.31 0.59 -1.54 -0.54 0.00 0.00 174.62 172.88 1hfe n SER 177 N -2.78 1.05 0.19 3.99 3.41 -1.26 -4.65 113.62 113.57 1hfe n SER 177 Ca 0.11 -1.33 0.06 0.00 -0.26 0.00 0.00 58.87 57.45 1hfe n SER 177 Cb 0.52 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.82 1hfe n SER 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hfe h PRO 180 N 8.33 0.00 -0.28 0.00 0.13 -1.88 0.91 132.00 139.20 1hfe h PRO 180 Ca -0.24 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.82 1hfe h PRO 180 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1hfe h PRO 180 CO 0.93 0.03 -0.12 0.78 -0.23 0.00 0.00 178.00 179.39 1hfe h GLY 181 N 1.45 0.63 1.30 1.56 0.00 -1.88 -1.81 103.07 104.32 1hfe h GLY 181 Ca -0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 1hfe h GLY 181 CO 0.00 0.51 -0.27 -0.25 0.00 0.00 0.00 176.54 176.53 1hfe h TRP 182 N 0.32 0.92 0.09 5.60 -0.00 -1.72 -1.23 115.95 119.93 1hfe h TRP 182 Ca 0.06 -0.23 0.02 0.00 -0.00 0.00 0.00 58.89 58.74 1hfe h TRP 182 Cb 0.63 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.16 29.56 1hfe h TRP 182 CO 0.06 0.97 -0.19 1.96 -0.00 0.00 0.00 178.44 181.24 1hfe h GLN 183 N 0.68 -0.35 -0.70 2.65 4.20 -0.63 0.25 115.11 121.23 1hfe h GLN 183 Ca 0.08 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1hfe h GLN 183 Cb 0.80 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 1hfe h GLN 183 CO 0.07 -0.23 0.18 -0.22 -0.67 0.00 0.00 178.83 177.96 1hfe h LYS 184 N -0.36 1.10 -0.11 1.46 3.64 -1.23 -0.24 116.57 120.84 1hfe h LYS 184 Ca 0.03 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1hfe h LYS 184 Cb 0.38 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1hfe h LYS 184 CO -0.11 0.96 0.06 -0.92 -2.27 0.00 0.00 179.45 177.17 1hfe h TYR 185 N 1.05 0.14 -0.35 1.91 5.03 -0.73 -0.62 116.97 123.40 1hfe h TYR 185 Ca 0.22 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.46 1hfe h TYR 185 Cb 0.35 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 1hfe h TYR 185 CO 0.03 0.14 -0.04 0.00 -1.32 0.00 0.00 178.16 176.96 1hfe h ALA 186 N 0.99 0.47 0.00 1.82 0.00 -0.29 0.17 119.26 122.42 1hfe h ALA 186 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1hfe h ALA 186 Cb 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1hfe h ALA 186 CO -0.01 0.28 -0.15 0.93 0.00 0.00 0.00 179.25 180.30 1hfe h GLU 187 N 0.44 0.00 0.03 0.00 5.08 -0.93 0.52 114.58 119.72 1hfe h GLU 187 Ca 0.09 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.20 1hfe h GLU 187 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1hfe h GLU 187 CO 0.03 0.15 -1.38 1.15 -1.00 0.00 0.00 179.01 177.96 1hfe h THR 188 N 0.00 0.88 0.00 1.13 2.02 -0.90 -3.38 112.91 112.66 1hfe h THR 188 Ca -0.00 -2.22 -0.11 0.00 0.77 0.00 0.00 66.41 64.85 1hfe h THR 188 Cb 0.39 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1hfe h THR 188 CO 0.02 0.44 -1.97 -1.22 0.37 0.00 0.00 175.52 173.16 1hfe n TYR 189 N -4.25 0.16 -2.90 3.16 4.01 0.57 -4.67 117.16 113.26 1hfe n TYR 189 Ca -0.31 0.05 -0.15 0.00 -0.16 0.00 0.00 57.90 57.33 1hfe n TYR 189 Cb 0.75 -0.72 -0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1hfe n TYR 189 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1hfe n TYR 190 N -2.47 0.95 0.15 -0.72 4.01 0.13 -4.94 117.16 114.27 1hfe n TYR 190 Ca -0.12 -3.32 0.13 0.00 -0.16 0.00 0.00 57.90 54.44 1hfe n TYR 190 Cb 0.74 -0.39 0.66 0.00 -0.31 0.00 0.00 39.34 40.04 1hfe n TYR 190 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hfe h PRO 191 N 2.98 0.00 0.00 -0.72 0.13 -1.63 -0.24 132.00 132.53 1hfe h PRO 191 Ca 0.02 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1hfe h PRO 191 Cb 1.04 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1hfe h PRO 191 CO 0.53 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.35 1hfe h GLU 192 N 0.01 0.00 -0.01 0.86 9.09 -1.92 -2.33 114.58 120.28 1hfe h GLU 192 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 1hfe h GLU 192 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1hfe h GLU 192 CO -0.00 0.00 -0.16 1.28 0.05 0.00 0.00 179.01 180.18 1hfe n LEU 193 N -3.02 1.32 -0.18 3.06 4.77 -0.10 -4.48 117.00 118.37 1hfe n LEU 193 Ca -0.00 -0.40 0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1hfe n LEU 193 Cb 0.24 -0.07 0.56 0.00 -2.33 0.00 0.00 43.42 41.82 1hfe n LEU 193 CO 0.25 0.23 1.22 -0.07 -1.33 0.00 0.00 177.39 177.69 1hfe h LEU 194 N 1.82 0.30 -1.38 2.23 3.38 -1.47 -0.85 115.31 119.34 1hfe h LEU 194 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1hfe h LEU 194 Cb 0.53 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1hfe h LEU 194 CO 0.00 0.14 0.00 -0.65 0.09 0.00 0.00 178.44 178.02 1hfe h PRO 195 N 0.31 0.00 0.00 1.13 0.11 -1.83 -0.40 132.00 131.32 1hfe h PRO 195 Ca 0.40 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.41 1hfe h PRO 195 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1hfe h PRO 195 CO -0.11 0.00 -0.51 0.45 -0.21 0.00 0.00 178.00 177.62 1hfe h HIS 196 N 0.00 0.00 -3.81 0.65 3.86 -1.44 -3.39 115.15 111.02 1hfe h HIS 196 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 1hfe h HIS 196 Cb 0.11 0.00 0.13 0.00 1.06 0.00 0.00 27.41 28.71 1hfe h HIS 196 CO 0.00 0.51 0.59 1.19 0.86 0.00 0.00 177.93 181.08 1hfe n PHE 197 N -3.35 2.38 -2.06 2.45 3.01 -0.16 -0.56 117.46 119.17 1hfe n PHE 197 Ca 0.01 0.46 -0.37 0.00 1.01 0.00 0.00 57.45 58.56 1hfe n PHE 197 Cb 0.67 -2.41 0.02 0.00 -0.01 0.00 0.00 39.48 37.75 1hfe n PHE 197 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1hfe s SER 198 N -0.58 5.65 0.00 4.37 0.15 -0.15 -4.77 113.70 118.37 1hfe s SER 198 Ca 0.63 2.45 0.30 0.00 0.70 0.00 0.00 55.95 60.02 1hfe s SER 198 Cb -0.47 -2.61 1.40 0.00 -1.71 0.00 0.00 66.02 62.63 1hfe s SER 198 CO 0.56 -1.29 1.95 0.35 1.20 0.00 0.00 173.24 176.02 1hfe n THR 199 N -0.96 0.00 -2.36 6.45 -2.24 -1.26 -4.74 114.28 109.17 1hfe n THR 199 Ca 0.10 -0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 1hfe n THR 199 Cb 0.48 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 1hfe n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hfe s LYS 201 N -2.71 2.21 0.89 0.00 1.02 -1.26 -4.80 119.74 115.09 1hfe s LYS 201 Ca 0.63 0.36 -0.12 0.00 0.02 0.00 0.00 55.97 56.86 1hfe s LYS 201 Cb -0.25 -1.96 0.12 0.00 -0.52 0.00 0.00 37.83 35.22 1hfe s LYS 201 CO 0.31 -1.47 1.10 -1.54 -0.92 0.00 0.00 175.35 172.82 1hfe s SER 202 N -4.30 3.62 0.28 2.83 1.04 -1.26 -4.76 113.70 111.16 1hfe s SER 202 Ca 0.61 1.37 0.02 0.00 0.48 0.00 0.00 55.95 58.42 1hfe s SER 202 Cb -0.12 -2.05 0.59 0.00 0.10 0.00 0.00 66.02 64.54 1hfe s SER 202 CO 0.52 -2.53 1.81 -0.65 0.98 0.00 0.00 173.24 173.37 1hfe h PRO 203 N -1.47 0.88 -0.29 4.02 0.11 -1.88 -1.21 132.00 132.16 1hfe h PRO 203 Ca -0.50 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 1hfe h PRO 203 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1hfe h PRO 203 CO 0.57 0.58 -0.26 0.97 -0.21 0.00 0.00 178.00 179.65 1hfe h ILE 204 N 0.91 1.27 -0.67 4.15 6.09 -1.91 0.47 117.51 127.82 1hfe h ILE 204 Ca 0.51 -1.33 -0.07 0.00 -1.37 0.00 0.00 64.86 62.61 1hfe h ILE 204 Cb 0.60 1.34 -0.03 0.00 0.47 0.00 0.00 36.82 39.20 1hfe h ILE 204 CO -0.30 0.43 0.16 1.23 -3.07 0.00 0.00 178.15 176.59 1hfe h GLY 205 N 1.01 1.15 1.33 8.18 0.00 -1.60 -1.27 103.07 111.86 1hfe h GLY 205 Ca 0.07 -0.71 -0.15 0.00 0.00 0.00 0.00 47.33 46.54 1hfe h GLY 205 CO 0.05 0.66 -0.41 -0.33 0.00 0.00 0.00 176.54 176.52 1hfe h MET 206 N 1.02 0.74 0.03 4.80 2.86 -0.88 -2.95 114.93 120.55 1hfe h MET 206 Ca 0.21 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1hfe h MET 206 Cb 0.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1hfe h MET 206 CO 0.00 1.01 -0.02 -0.97 1.06 0.00 0.00 176.91 178.00 1hfe h ASN 207 N 0.60 -0.04 -0.65 1.22 -0.73 -0.42 0.55 115.58 116.11 1hfe h ASN 207 Ca 0.05 -0.10 0.05 0.00 1.87 0.00 0.00 56.30 58.17 1hfe h ASN 207 Cb 0.96 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 39.50 1hfe h ASN 207 CO 0.09 0.08 0.37 1.23 -0.37 0.00 0.00 177.43 178.82 1hfe h GLY 208 N -0.15 0.95 0.93 1.57 0.00 -1.28 0.19 103.07 105.28 1hfe h GLY 208 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1hfe h GLY 208 CO 0.01 0.16 0.08 0.00 0.00 0.00 0.00 176.54 176.79 1hfe h ALA 209 N 1.34 0.50 -0.29 3.60 0.00 -1.32 -2.72 119.26 120.36 1hfe h ALA 209 Ca 0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1hfe h ALA 209 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1hfe h ALA 209 CO -0.17 0.18 -0.26 -0.07 0.00 0.00 0.00 179.25 178.92 1hfe h LEU 210 N 0.46 0.58 -0.81 0.00 3.38 -0.44 -2.75 115.31 115.73 1hfe h LEU 210 Ca 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1hfe h LEU 210 Cb 0.32 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1hfe h LEU 210 CO 0.00 0.83 0.46 0.00 0.09 0.00 0.00 178.44 179.82 1hfe h ALA 211 N 1.22 1.04 -0.21 1.53 0.00 -0.40 0.11 119.26 122.54 1hfe h ALA 211 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hfe h ALA 211 Cb 0.72 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1hfe h ALA 211 CO 0.06 0.54 0.00 1.63 0.00 0.00 0.00 179.25 181.47 1hfe n LYS 212 N -4.42 1.79 0.00 0.00 5.02 -1.05 -1.21 118.16 118.30 1hfe n LYS 212 Ca 0.08 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.17 1hfe n LYS 212 Cb 0.08 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1hfe n LYS 212 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hfe n THR 213 N 0.42 0.00 0.12 -0.18 -2.24 -0.96 -4.67 114.28 106.77 1hfe n THR 213 Ca 0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1hfe n THR 213 Cb 0.34 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 1hfe n THR 213 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1hfe h TYR 214 N 0.00 -0.23 0.21 4.78 3.20 -1.33 -0.55 116.97 123.05 1hfe h TYR 214 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1hfe h TYR 214 Cb 0.00 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1hfe h TYR 214 CO 0.00 -0.14 -0.10 0.78 -1.64 0.00 0.00 178.16 177.06 1hfe h GLY 215 N -0.23 -0.30 0.83 1.82 0.00 -0.91 -1.11 103.07 103.17 1hfe h GLY 215 Ca -0.02 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1hfe h GLY 215 CO 0.03 -0.11 0.61 0.00 0.00 0.00 0.00 176.54 177.07 1hfe h ALA 216 N 0.48 1.26 -0.08 3.60 0.00 -1.08 -1.28 119.26 122.17 1hfe h ALA 216 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1hfe h ALA 216 Cb 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1hfe h ALA 216 CO 0.05 0.45 0.02 1.49 0.00 0.00 0.00 179.25 181.26 1hfe h GLU 217 N 1.16 0.13 -0.31 0.00 4.81 -0.87 0.93 114.58 120.44 1hfe h GLU 217 Ca 0.39 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1hfe h GLU 217 Cb 0.05 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1hfe h GLU 217 CO -0.14 0.33 -0.00 0.00 -0.73 0.00 0.00 179.01 178.47 1hfe h ARG 218 N -0.09 0.47 -0.01 1.92 2.47 -0.89 -2.36 114.38 115.89 1hfe h ARG 218 Ca 0.02 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1hfe h ARG 218 Cb 0.26 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1hfe h ARG 218 CO 0.00 0.50 -0.28 -1.33 0.56 0.00 0.00 179.97 179.43 1hfe n MET 219 N -4.30 0.76 -2.75 0.04 2.81 -0.51 -4.94 117.12 108.24 1hfe n MET 219 Ca 0.01 -0.44 -0.18 0.00 -1.81 0.00 0.00 57.70 55.28 1hfe n MET 219 Cb 0.23 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.27 1hfe n MET 219 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1hfe n LYS 220 N -0.73 -3.39 -3.25 0.03 5.02 0.08 -5.00 118.16 110.93 1hfe n LYS 220 Ca 0.12 0.75 -0.28 0.00 -2.02 0.00 0.00 58.31 56.87 1hfe n LYS 220 Cb 0.35 -5.23 -0.03 0.00 -0.02 0.00 0.00 35.03 30.09 1hfe n LYS 220 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1hfe s TYR 221 N -3.01 3.48 -0.21 2.13 2.02 0.10 -5.03 117.35 116.83 1hfe s TYR 221 Ca 0.19 0.69 -0.29 0.00 -0.37 0.00 0.00 57.07 57.29 1hfe s TYR 221 Cb -0.08 -2.15 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 1hfe s TYR 221 CO 0.24 0.11 1.02 0.34 -1.57 0.00 0.00 175.55 175.69 1hfe s ASP 222 N -3.25 7.11 0.49 2.29 2.15 -1.26 -4.59 116.67 119.60 1hfe s ASP 222 Ca 0.45 1.38 0.27 0.00 0.43 0.00 0.00 52.55 55.08 1hfe s ASP 222 Cb -0.11 -2.54 1.34 0.00 -0.30 0.00 0.00 42.92 41.32 1hfe s ASP 222 CO 0.31 -0.63 1.87 -0.65 -0.17 0.00 0.00 175.17 175.90 1hfe h PRO 223 N 7.41 0.14 0.00 4.34 0.11 -1.91 0.16 132.00 142.25 1hfe h PRO 223 Ca -0.21 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 1hfe h PRO 223 Cb 1.07 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1hfe h PRO 223 CO 0.96 0.10 -0.08 0.87 -0.21 0.00 0.00 178.00 179.63 1hfe h LYS 224 N 0.15 0.00 -0.23 1.05 1.57 -1.93 -2.54 116.57 114.63 1hfe h LYS 224 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1hfe h LYS 224 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1hfe h LYS 224 CO -0.08 0.08 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 1hfe n GLN 225 N -3.43 2.11 -3.11 3.15 1.13 0.55 -4.85 117.38 112.94 1hfe n GLN 225 Ca -0.01 -1.66 -0.41 0.00 -1.94 0.00 0.00 57.00 52.98 1hfe n GLN 225 Cb 0.23 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.06 1hfe n GLN 225 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1hfe s VAL 226 N -1.71 4.98 -0.33 5.09 1.01 -0.96 -0.36 120.40 128.13 1hfe s VAL 226 Ca 0.35 1.12 -0.07 0.00 0.00 0.00 0.00 61.98 63.38 1hfe s VAL 226 Cb 0.20 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1hfe s VAL 226 CO 0.29 0.02 0.10 -0.47 0.00 0.00 0.00 175.10 175.04 1hfe s TYR 227 N 2.52 3.23 -0.20 5.22 5.04 -0.23 -4.95 117.35 127.98 1hfe s TYR 227 Ca 0.26 -1.30 -0.20 0.00 -2.44 0.00 0.00 57.07 53.40 1hfe s TYR 227 Cb -0.15 -2.28 -0.03 0.00 0.35 0.00 0.00 41.96 39.85 1hfe s TYR 227 CO 0.09 -0.69 0.58 0.95 -1.34 0.00 0.00 175.55 175.14 1hfe s THR 228 N 1.43 5.06 -0.35 4.34 -4.23 -1.26 -0.81 115.64 119.82 1hfe s THR 228 Ca -0.00 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1hfe s THR 228 Cb -0.19 -3.90 0.09 0.00 1.34 0.00 0.00 72.50 69.84 1hfe s THR 228 CO 0.03 0.14 0.08 -0.69 -0.54 0.00 0.00 174.62 173.64 1hfe s VAL 229 N 1.79 2.77 0.20 2.29 1.01 0.18 -1.37 120.40 127.27 1hfe s VAL 229 Ca 0.27 -1.98 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 1hfe s VAL 229 Cb -0.16 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 1hfe s VAL 229 CO 0.10 -0.48 1.21 -0.55 0.00 0.00 0.00 175.10 175.38 1hfe s SER 230 N 1.32 7.06 -0.21 3.32 0.15 0.17 -0.83 113.70 124.69 1hfe s SER 230 Ca 0.05 2.28 0.01 0.00 0.70 0.00 0.00 55.95 58.98 1hfe s SER 230 Cb -0.21 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.54 1hfe s SER 230 CO -0.05 -0.38 -0.08 -0.63 1.20 0.00 0.00 173.24 173.31 1hfe s ILE 231 N -0.20 1.50 0.17 6.45 1.01 -0.72 -0.45 121.20 128.95 1hfe s ILE 231 Ca 0.52 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 60.21 1hfe s ILE 231 Cb -0.33 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 1hfe s ILE 231 CO 0.38 0.06 -0.12 -0.04 0.00 0.00 0.00 174.94 175.23 1hfe s MET 232 N 1.44 1.15 -0.22 2.79 -1.94 0.45 -1.07 119.30 121.91 1hfe s MET 232 Ca -0.03 -1.50 0.03 0.00 -1.71 0.00 0.00 55.69 52.49 1hfe s MET 232 Cb -0.17 -0.79 0.37 0.00 2.01 0.00 0.00 34.83 36.25 1hfe s MET 232 CO -0.07 0.11 1.42 -0.35 -0.01 0.00 0.00 175.02 176.12 1hfe n PRO 233 N -0.26 1.96 -3.81 2.03 -0.04 -1.26 -0.93 135.00 132.69 1hfe n PRO 233 Ca -0.09 -1.62 -0.12 0.00 -0.04 0.00 0.00 63.50 61.62 1hfe n PRO 233 Cb 0.61 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 1hfe n PRO 233 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hfe h ILE 235 N 4.56 1.03 0.00 0.00 2.04 -1.81 -3.33 117.51 119.99 1hfe h ILE 235 Ca -0.27 -2.68 -0.00 0.00 1.00 0.00 0.00 64.86 62.91 1hfe h ILE 235 Cb 1.19 2.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1hfe h ILE 235 CO 0.37 0.81 -0.02 0.00 0.00 0.00 0.00 178.15 179.32 1hfe h ALA 236 N 0.40 1.47 0.00 1.87 0.00 -1.68 -0.40 119.26 120.92 1hfe h ALA 236 Ca -0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1hfe h ALA 236 Cb 2.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 1hfe h ALA 236 CO 0.15 0.02 -0.08 0.87 0.00 0.00 0.00 179.25 180.22 1hfe h LYS 237 N 0.00 0.00 -0.41 0.00 1.79 -1.89 -0.57 116.57 115.49 1hfe h LYS 237 Ca -0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1hfe h LYS 237 Cb 0.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1hfe h LYS 237 CO 0.00 0.08 -0.17 0.87 -1.08 0.00 0.00 179.45 179.15 1hfe h LYS 238 N 0.00 0.84 -0.37 3.15 1.57 -1.27 -0.90 116.57 119.59 1hfe h LYS 238 Ca -0.00 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 1hfe h LYS 238 Cb 0.25 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1hfe h LYS 238 CO 0.01 0.99 0.11 -0.92 -0.57 0.00 0.00 179.45 179.07 1hfe h TYR 239 N 0.65 0.60 -0.71 -1.35 5.03 -1.41 -3.11 116.97 116.67 1hfe h TYR 239 Ca 0.09 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1hfe h TYR 239 Cb 0.72 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.80 1hfe h TYR 239 CO 0.06 0.57 0.38 1.49 -1.32 0.00 0.00 178.16 179.34 1hfe h GLU 240 N 0.45 0.99 -0.04 1.82 4.81 -0.90 -2.30 114.58 119.40 1hfe h GLU 240 Ca 0.12 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1hfe h GLU 240 Cb 0.26 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1hfe h GLU 240 CO -0.00 0.75 0.03 0.78 -0.73 0.00 0.00 179.01 179.84 1hfe h GLY 241 N 0.97 0.00 0.86 1.92 0.00 -1.10 -1.90 103.07 103.82 1hfe h GLY 241 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1hfe h GLY 241 CO -0.04 0.00 -0.25 1.04 0.00 0.00 0.00 176.54 177.29 1hfe n LEU 242 N -4.34 0.59 -4.67 3.11 4.77 -0.88 -4.63 117.00 110.95 1hfe n LEU 242 Ca -0.02 -0.02 -0.50 0.00 -0.03 0.00 0.00 56.01 55.44 1hfe n LEU 242 Cb 0.13 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1hfe n LEU 242 CO 0.32 0.12 1.25 0.54 -1.33 0.00 0.00 177.39 178.30 1hfe n ARG 243 N -1.08 1.75 -0.30 3.23 1.74 -0.72 -4.59 116.66 116.69 1hfe n ARG 243 Ca 0.10 0.64 0.14 0.00 -0.77 0.00 0.00 57.85 57.96 1hfe n ARG 243 Cb 0.32 -2.39 0.31 0.00 -1.02 0.00 0.00 32.46 29.69 1hfe n ARG 243 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1hfe h PRO 244 N 6.93 0.31 0.00 5.56 0.11 -1.90 -2.26 132.00 140.74 1hfe h PRO 244 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hfe h PRO 244 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1hfe h PRO 244 CO 0.90 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 178.05 1hfe n GLU 245 N -5.11 0.09 -2.10 1.05 0.00 -1.26 -4.24 120.64 109.07 1hfe n GLU 245 Ca 0.23 0.33 -0.42 0.00 0.00 0.00 0.00 57.16 57.29 1hfe n GLU 245 Cb 0.69 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 30.46 1hfe n GLU 245 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1hfe n LEU 246 N -1.84 6.59 -1.95 -1.84 4.77 -0.85 -4.22 117.00 117.66 1hfe n LEU 246 Ca 0.03 -4.36 0.00 0.00 -0.03 0.00 0.00 56.01 51.65 1hfe n LEU 246 Cb 0.20 -1.59 0.03 0.00 -2.33 0.00 0.00 43.42 39.73 1hfe n LEU 246 CO 0.16 1.15 0.17 2.29 -1.33 0.00 0.00 177.39 179.84 1hfe n LYS 247 N 5.25 0.68 0.31 3.23 2.85 -1.26 -1.97 118.16 127.25 1hfe n LYS 247 Ca 0.46 -2.14 0.19 0.00 -1.05 0.00 0.00 58.31 55.77 1hfe n LYS 247 Cb 0.38 -0.31 0.96 0.00 -0.65 0.00 0.00 35.03 35.41 1hfe n LYS 247 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1hfe h SER 248 N 1.28 0.00 0.89 -5.58 0.02 -1.74 -1.59 113.55 106.83 1hfe h SER 248 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1hfe h SER 248 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1hfe h SER 248 CO 0.01 0.02 0.00 -1.54 -1.14 0.00 0.00 176.83 174.19 1hfe n SER 249 N -3.24 0.00 0.00 3.07 3.41 -1.26 -4.85 113.62 110.75 1hfe n SER 249 Ca -0.02 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1hfe n SER 249 Cb 0.17 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1hfe n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hfe n GLY 250 N 1.24 0.75 3.69 5.00 0.00 -0.60 -4.93 105.19 110.33 1hfe n GLY 250 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1hfe n GLY 250 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1hfe s MET 251 N -0.51 2.06 0.07 1.61 0.00 -1.23 -5.11 119.30 116.20 1hfe s MET 251 Ca 0.00 -1.51 -0.35 0.00 0.00 0.00 0.00 55.69 53.83 1hfe s MET 251 Cb 0.00 0.55 -0.14 0.00 0.00 0.00 0.00 34.83 35.24 1hfe s MET 251 CO 0.00 -0.92 1.62 0.54 0.00 0.00 0.00 175.02 176.25 1hfe n ARG 252 N -0.53 1.95 0.09 3.16 5.12 -1.26 -4.28 116.66 120.92 1hfe n ARG 252 Ca -0.04 0.71 -0.06 0.00 -1.93 0.00 0.00 57.85 56.52 1hfe n ARG 252 Cb 0.61 -2.47 0.02 0.00 -1.16 0.00 0.00 32.46 29.46 1hfe n ARG 252 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1hfe h ASP 253 N 6.50 0.12 -3.67 0.55 3.32 -1.72 -3.42 116.42 118.11 1hfe h ASP 253 Ca -0.46 -0.10 -0.62 0.00 0.02 0.00 0.00 57.03 55.87 1hfe h ASP 253 Cb 1.27 -0.04 -0.38 0.00 0.22 0.00 0.00 39.33 40.40 1hfe h ASP 253 CO 0.89 0.88 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.88 1hfe s ILE 254 N -3.24 1.68 0.06 0.35 -1.09 -1.26 -4.36 121.20 113.33 1hfe s ILE 254 Ca -0.02 -1.38 -0.15 0.00 -2.23 0.00 0.00 60.65 56.88 1hfe s ILE 254 Cb 0.11 -1.94 -0.29 0.00 -1.58 0.00 0.00 42.46 38.76 1hfe s ILE 254 CO 0.81 -0.14 1.10 0.44 -1.23 0.00 0.00 174.94 175.92 1hfe h ASP 255 N 7.90 0.88 -5.18 3.58 3.32 -1.64 -3.45 116.42 121.83 1hfe h ASP 255 Ca -0.17 -0.81 -0.11 0.00 0.02 0.00 0.00 57.03 55.96 1hfe h ASP 255 Cb 1.06 -0.28 -0.15 0.00 0.22 0.00 0.00 39.33 40.18 1hfe h ASP 255 CO 0.43 1.61 -0.54 0.00 -1.72 0.00 0.00 179.24 179.02 1hfe s ALA 256 N -2.98 0.14 -0.04 3.45 0.00 -0.47 -5.01 121.76 116.85 1hfe s ALA 256 Ca -0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1hfe s ALA 256 Cb 0.06 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1hfe s ALA 256 CO 0.93 -0.41 0.01 0.99 0.00 0.00 0.00 175.76 177.29 1hfe s THR 257 N -3.62 0.18 0.06 0.00 2.01 -1.26 -0.66 115.64 112.35 1hfe s THR 257 Ca 0.04 0.15 0.09 0.00 0.31 0.00 0.00 61.69 62.28 1hfe s THR 257 Cb 0.05 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1hfe s THR 257 CO -0.09 0.18 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.03 1hfe s LEU 258 N 1.43 2.39 0.69 4.42 1.43 0.40 -4.42 118.68 125.02 1hfe s LEU 258 Ca -0.04 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 1hfe s LEU 258 Cb -0.13 -1.38 0.06 0.00 0.03 0.00 0.00 46.19 44.77 1hfe s LEU 258 CO -0.03 0.24 0.99 0.42 0.23 0.00 0.00 176.35 178.20 1hfe s THR 259 N -0.91 2.34 0.34 5.49 -4.23 -1.26 -0.41 115.64 117.00 1hfe s THR 259 Ca 0.14 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1hfe s THR 259 Cb -0.10 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 70.98 1hfe s THR 259 CO 0.04 -0.01 1.99 0.74 -0.54 0.00 0.00 174.62 176.85 1hfe h THR 260 N -0.53 1.17 -0.63 3.99 2.02 -0.77 -0.82 112.91 117.35 1hfe h THR 260 Ca -0.44 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 1hfe h THR 260 Cb 1.31 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1hfe h THR 260 CO 0.60 0.17 0.38 0.03 0.37 0.00 0.00 175.52 177.07 1hfe h ARG 261 N 0.89 0.86 -0.29 6.66 3.08 -1.81 -0.85 114.38 122.92 1hfe h ARG 261 Ca 0.24 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 1hfe h ARG 261 Cb -0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1hfe h ARG 261 CO -0.05 0.62 -0.36 0.93 -1.07 0.00 0.00 179.97 180.03 1hfe h GLU 262 N 0.86 0.66 -0.42 0.04 5.08 -1.66 -1.45 114.58 117.70 1hfe h GLU 262 Ca 0.23 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1hfe h GLU 262 Cb -0.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1hfe h GLU 262 CO -0.04 0.92 0.14 1.25 -1.00 0.00 0.00 179.01 180.28 1hfe h LEU 263 N 0.55 0.60 -0.56 1.33 5.85 -0.78 -1.50 115.31 120.81 1hfe h LEU 263 Ca 0.05 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1hfe h LEU 263 Cb 0.88 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1hfe h LEU 263 CO 0.08 0.64 0.30 0.00 -0.34 0.00 0.00 178.44 179.12 1hfe h ALA 264 N 0.98 0.73 -0.34 1.25 0.00 -0.89 -0.59 119.26 120.41 1hfe h ALA 264 Ca 0.14 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1hfe h ALA 264 Cb 0.25 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1hfe h ALA 264 CO -0.01 -0.02 0.06 -0.92 0.00 0.00 0.00 179.25 178.37 1hfe h TYR 265 N 0.59 0.10 -0.57 0.00 3.20 -0.92 -0.48 116.97 118.89 1hfe h TYR 265 Ca 0.25 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1hfe h TYR 265 Cb 0.13 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1hfe h TYR 265 CO -0.09 0.01 0.10 0.52 -1.64 0.00 0.00 178.16 177.07 1hfe h MET 266 N 0.18 0.90 -0.47 1.82 2.86 -0.60 0.88 114.93 120.50 1hfe h MET 266 Ca 0.16 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1hfe h MET 266 Cb 0.19 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1hfe h MET 266 CO -0.22 0.83 0.17 0.82 1.06 0.00 0.00 176.91 179.57 1hfe h ILE 267 N 0.85 1.21 -0.45 -1.22 2.04 -0.56 -1.26 117.51 118.13 1hfe h ILE 267 Ca 0.18 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 1hfe h ILE 267 Cb 0.36 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1hfe h ILE 267 CO 0.01 0.25 -0.02 0.11 0.00 0.00 0.00 178.15 178.50 1hfe h LYS 268 N 0.61 0.81 -0.57 2.37 1.57 -0.67 -2.15 116.57 118.55 1hfe h LYS 268 Ca 0.15 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1hfe h LYS 268 Cb 0.22 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1hfe h LYS 268 CO -0.01 0.88 0.27 0.87 -0.57 0.00 0.00 179.45 180.90 1hfe h LYS 269 N 0.66 0.79 0.00 3.15 1.79 -0.70 0.23 116.57 122.48 1hfe h LYS 269 Ca 0.13 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1hfe h LYS 269 Cb 0.53 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1hfe h LYS 269 CO 0.03 0.61 0.00 0.00 -1.08 0.00 0.00 179.45 179.01 1hfe n ALA 270 N -2.45 2.44 -1.69 3.86 0.00 -0.49 -4.89 120.51 117.29 1hfe n ALA 270 Ca 0.05 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1hfe n ALA 270 Cb 0.13 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1hfe n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfe n GLY 271 N 0.82 0.65 3.69 0.00 0.00 0.07 -4.99 105.19 105.44 1hfe n GLY 271 Ca 0.17 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1hfe n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hfe s ILE 272 N -2.44 4.84 -1.28 -0.61 1.01 -0.84 -4.96 121.20 116.92 1hfe s ILE 272 Ca 0.00 1.93 -0.16 0.00 0.00 0.00 0.00 60.65 62.42 1hfe s ILE 272 Cb 0.00 -4.26 0.11 0.00 0.01 0.00 0.00 42.46 38.31 1hfe s ILE 272 CO 0.00 0.06 1.69 -0.67 0.00 0.00 0.00 174.94 176.02 1hfe n ASP 273 N 4.72 4.96 -0.18 3.58 2.03 -1.26 -4.69 116.55 125.70 1hfe n ASP 273 Ca 0.07 -2.94 -0.03 0.00 0.52 0.00 0.00 54.79 52.41 1hfe n ASP 273 Cb 0.49 -1.67 0.04 0.00 -0.72 0.00 0.00 41.12 39.26 1hfe n ASP 273 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1hfe h PHE 274 N 7.21 -0.48 0.00 -0.67 3.57 -1.94 -1.71 116.94 122.92 1hfe h PHE 274 Ca 0.41 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.97 1hfe h PHE 274 Cb 0.84 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1hfe h PHE 274 CO 1.32 -0.29 -0.01 0.00 -2.23 0.00 0.00 178.31 177.09 1hfe h ALA 275 N 1.39 1.57 -0.65 2.41 0.00 -1.88 -2.25 119.26 119.85 1hfe h ALA 275 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1hfe h ALA 275 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hfe h ALA 275 CO -0.61 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.29 1hfe n LYS 276 N -3.92 2.73 -2.59 0.00 4.76 -0.66 -4.99 118.16 113.49 1hfe n LYS 276 Ca -0.03 -2.53 -0.40 0.00 -2.87 0.00 0.00 58.31 52.47 1hfe n LYS 276 Cb 0.10 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 31.72 1hfe n LYS 276 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1hfe s LEU 277 N -1.03 4.57 0.74 -0.35 1.43 -0.85 -5.04 118.68 118.16 1hfe s LEU 277 Ca 0.44 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.53 1hfe s LEU 277 Cb 0.23 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.87 1hfe s LEU 277 CO 0.30 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.76 1hfe s PRO 278 N -1.08 2.53 0.19 1.29 0.04 -1.26 -4.76 135.00 131.95 1hfe s PRO 278 Ca 0.44 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1hfe s PRO 278 Cb -0.29 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1hfe s PRO 278 CO 0.36 -1.31 1.40 -0.51 0.04 0.00 0.00 177.00 176.98 1hfe s ASP 279 N -4.02 6.77 0.59 6.66 1.01 -1.26 -4.48 116.67 121.93 1hfe s ASP 279 Ca 0.59 2.49 -0.06 0.00 0.71 0.00 0.00 52.55 56.28 1hfe s ASP 279 Cb -0.13 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.20 1hfe s ASP 279 CO 0.54 -0.64 0.91 -0.83 0.21 0.00 0.00 175.17 175.35 1hfe s GLY 280 N 0.60 1.60 0.05 0.21 0.00 0.42 -4.90 107.32 105.31 1hfe s GLY 280 Ca 0.61 -0.66 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 1hfe s GLY 280 CO 0.37 -0.38 0.41 0.54 0.00 0.00 0.00 173.10 174.04 1hfe s LYS 281 N -5.00 3.84 0.51 2.90 1.02 -1.26 -4.82 119.74 116.94 1hfe s LYS 281 Ca 0.54 0.30 -0.20 0.00 0.02 0.00 0.00 55.97 56.63 1hfe s LYS 281 Cb -0.11 -3.09 -0.07 0.00 -0.52 0.00 0.00 37.83 34.04 1hfe s LYS 281 CO 0.46 0.62 1.09 1.03 -0.92 0.00 0.00 175.35 177.62 1hfe s ARG 282 N -1.53 3.59 0.55 1.68 0.52 -1.26 -4.98 118.95 117.52 1hfe s ARG 282 Ca 0.29 1.51 -0.21 0.00 -0.52 0.00 0.00 55.73 56.80 1hfe s ARG 282 Cb -0.15 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 1hfe s ARG 282 CO 0.16 -0.64 1.28 0.34 0.02 0.00 0.00 175.30 176.46 1hfe s ASP 283 N -1.84 5.35 0.00 0.23 2.15 -1.26 -4.89 116.67 116.41 1hfe s ASP 283 Ca 0.70 2.58 0.27 0.00 0.43 0.00 0.00 52.55 56.53 1hfe s ASP 283 Cb -0.21 -2.62 0.88 0.00 -0.30 0.00 0.00 42.92 40.67 1hfe s ASP 283 CO 0.24 -1.50 1.68 -1.54 -0.17 0.00 0.00 175.17 173.88 1hfe n SER 284 N -1.14 0.25 -0.11 -0.34 3.41 -1.26 -2.44 113.62 111.99 1hfe n SER 284 Ca 0.11 0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.65 1hfe n SER 284 Cb 0.47 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 1hfe n SER 284 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1hfe n LEU 285 N -1.52 1.83 -2.67 1.04 7.94 -1.26 -4.84 117.00 117.53 1hfe n LEU 285 Ca 0.06 0.19 -0.09 0.00 -1.11 0.00 0.00 56.01 55.07 1hfe n LEU 285 Cb 0.34 -0.66 0.03 0.00 0.53 0.00 0.00 43.42 43.66 1hfe n LEU 285 CO 0.31 0.53 -0.11 0.23 -1.11 0.00 0.00 177.39 177.24 1hfe n MET 286 N -3.80 1.16 -0.00 1.96 2.81 -1.26 -4.86 117.12 113.13 1hfe n MET 286 Ca -0.42 -3.25 0.01 0.00 -1.81 0.00 0.00 57.70 52.23 1hfe n MET 286 Cb 0.82 -1.25 -0.01 0.00 -0.71 0.00 0.00 33.22 32.07 1hfe n MET 286 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hfe n GLY 287 N -0.08 0.50 3.75 3.03 0.00 -1.02 -1.81 105.19 109.56 1hfe n GLY 287 Ca 0.09 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1hfe n GLY 287 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hfe s GLU 288 N -1.51 4.81 0.08 1.61 2.12 -1.26 -4.56 118.70 119.99 1hfe s GLU 288 Ca 0.00 1.52 -0.02 0.00 0.36 0.00 0.00 54.97 56.83 1hfe s GLU 288 Cb 0.01 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1hfe s GLU 288 CO 0.06 0.47 0.02 -1.54 -0.54 0.00 0.00 175.26 173.72 1hfe s SER 289 N -1.17 0.40 0.48 -1.70 1.04 -1.26 -4.13 113.70 107.37 1hfe s SER 289 Ca 0.42 -1.01 0.07 0.00 0.48 0.00 0.00 55.95 55.90 1hfe s SER 289 Cb -0.26 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1hfe s SER 289 CO 0.33 -0.65 0.37 0.42 0.98 0.00 0.00 173.24 174.69 1hfe s THR 290 N -3.95 2.08 0.34 2.02 -4.23 -1.26 -5.00 115.64 105.64 1hfe s THR 290 Ca 0.11 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1hfe s THR 290 Cb 0.07 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.57 1hfe s THR 290 CO -0.07 0.00 1.93 1.23 -0.54 0.00 0.00 174.62 177.17 1hfe h GLY 291 N 0.93 0.69 1.47 3.99 0.00 -2.00 -1.41 103.07 106.73 1hfe h GLY 291 Ca -0.39 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1hfe h GLY 291 CO 0.59 0.33 0.21 -1.33 0.00 0.00 0.00 176.54 176.34 1hfe h GLY 292 N 0.81 0.74 1.22 4.60 0.00 -1.95 -1.99 103.07 106.49 1hfe h GLY 292 Ca 0.15 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 1hfe h GLY 292 CO -0.01 0.33 -0.67 0.00 0.00 0.00 0.00 176.54 176.20 1hfe h ALA 293 N 1.54 0.42 0.00 3.60 0.00 -1.60 -3.18 119.26 120.04 1hfe h ALA 293 Ca 0.17 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1hfe h ALA 293 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1hfe h ALA 293 CO -0.02 0.69 -0.30 0.00 0.00 0.00 0.00 179.25 179.62 1hfe h THR 294 N 0.58 0.98 0.00 0.00 1.03 -0.71 -2.40 112.91 112.39 1hfe h THR 294 Ca -0.02 -1.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.26 1hfe h THR 294 Cb 1.28 1.64 0.00 0.00 -1.07 0.00 0.00 68.15 70.00 1hfe h THR 294 CO 0.14 0.29 0.00 2.30 -0.01 0.00 0.00 175.52 178.24 1hfe n ILE 295 N -3.84 0.17 -0.20 0.00 -5.35 -0.82 -3.38 119.36 105.93 1hfe n ILE 295 Ca -0.01 0.04 0.20 0.00 -0.27 0.00 0.00 62.75 62.70 1hfe n ILE 295 Cb 0.38 -0.62 0.55 0.00 -1.74 0.00 0.00 39.64 38.21 1hfe n ILE 295 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1hfe h PHE 296 N 0.00 0.42 0.00 4.28 -1.00 -1.51 -1.57 116.94 117.56 1hfe h PHE 296 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1hfe h PHE 296 Cb 0.23 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1hfe h PHE 296 CO 0.00 0.12 0.00 0.41 -1.61 0.00 0.00 178.31 177.23 1hfe n GLY 297 N -1.55 -0.69 3.39 -1.45 0.00 -1.22 -4.47 105.19 99.20 1hfe n GLY 297 Ca 0.17 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1hfe n GLY 297 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hfe s VAL 298 N -2.73 2.13 0.14 1.61 -7.23 -0.59 0.08 120.40 113.81 1hfe s VAL 298 Ca 0.08 -2.07 -0.32 0.00 -1.81 0.00 0.00 61.98 57.86 1hfe s VAL 298 Cb 0.07 -2.04 -0.11 0.00 0.56 0.00 0.00 36.38 34.85 1hfe s VAL 298 CO 0.16 -0.28 1.81 1.07 -0.31 0.00 0.00 175.10 177.55 1hfe n THR 299 N 0.08 0.28 0.00 5.32 5.66 -0.71 -0.60 114.28 124.31 1hfe n THR 299 Ca -0.11 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1hfe n THR 299 Cb 0.57 -2.07 0.00 0.00 -1.55 0.00 0.00 70.33 67.28 1hfe n THR 299 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1hfe n GLY 300 N 4.15 1.00 0.05 1.09 0.00 -1.26 -4.43 105.19 105.80 1hfe n GLY 300 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1hfe n GLY 300 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hfe h GLY 301 N 0.00 -0.03 1.01 -0.02 0.00 -0.96 0.37 103.07 103.44 1hfe h GLY 301 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1hfe h GLY 301 CO 0.00 -0.01 0.47 -2.08 0.00 0.00 0.00 176.54 174.92 1hfe h VAL 302 N -0.12 1.22 -0.31 4.60 2.07 -1.77 0.06 116.25 122.00 1hfe h VAL 302 Ca -0.00 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1hfe h VAL 302 Cb 0.11 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1hfe h VAL 302 CO 0.00 0.22 0.10 -0.03 0.02 0.00 0.00 177.57 177.89 1hfe h MET 303 N 1.05 0.48 -0.49 1.57 1.85 -1.91 0.15 114.93 117.64 1hfe h MET 303 Ca 0.28 -0.10 -0.03 0.00 -0.61 0.00 0.00 59.70 59.24 1hfe h MET 303 Cb -0.05 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 31.89 1hfe h MET 303 CO -0.05 0.52 0.19 1.49 -0.40 0.00 0.00 176.91 178.66 1hfe h GLU 304 N 0.34 0.73 -0.77 0.39 4.81 -0.56 0.04 114.58 119.56 1hfe h GLU 304 Ca 0.10 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1hfe h GLU 304 Cb 0.24 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1hfe h GLU 304 CO -0.00 0.65 0.37 0.00 -0.73 0.00 0.00 179.01 179.30 1hfe h ALA 305 N 1.04 1.19 -0.51 2.92 0.00 -0.74 -1.46 119.26 121.70 1hfe h ALA 305 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1hfe h ALA 305 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hfe h ALA 305 CO -0.01 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.79 1hfe h ALA 306 N 1.30 0.94 -0.58 0.00 0.00 -0.28 -2.62 119.26 118.02 1hfe h ALA 306 Ca 0.27 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1hfe h ALA 306 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1hfe h ALA 306 CO -0.03 0.63 -0.02 -0.07 0.00 0.00 0.00 179.25 179.76 1hfe h LEU 307 N 0.82 1.00 -1.18 0.00 3.38 -0.38 0.15 115.31 119.10 1hfe h LEU 307 Ca 0.14 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1hfe h LEU 307 Cb 0.57 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1hfe h LEU 307 CO 0.03 1.06 0.54 0.03 0.09 0.00 0.00 178.44 180.20 1hfe h ARG 308 N 0.93 1.09 0.03 1.13 3.08 -1.03 -1.49 114.38 118.12 1hfe h ARG 308 Ca 0.16 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1hfe h ARG 308 Cb 0.56 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1hfe h ARG 308 CO 0.03 0.73 -0.02 0.35 -1.07 0.00 0.00 179.97 179.99 1hfe h PHE 309 N 1.12 -0.04 -0.79 3.04 3.04 -1.18 -3.33 116.94 118.81 1hfe h PHE 309 Ca 0.30 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.31 1hfe h PHE 309 Cb -0.12 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.35 1hfe h PHE 309 CO 0.00 0.64 0.52 0.00 -2.02 0.00 0.00 178.31 177.45 1hfe h ALA 310 N -0.15 1.60 -0.25 2.41 0.00 -0.61 -1.71 119.26 120.54 1hfe h ALA 310 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hfe h ALA 310 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1hfe h ALA 310 CO 0.01 0.29 0.13 -0.92 0.00 0.00 0.00 179.25 178.76 1hfe h TYR 311 N 0.89 0.35 -0.02 0.00 5.03 -1.41 -1.51 116.97 120.30 1hfe h TYR 311 Ca 0.33 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.50 1hfe h TYR 311 Cb 0.18 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1hfe h TYR 311 CO -0.00 0.31 -0.61 1.49 -1.32 0.00 0.00 178.16 178.02 1hfe h GLU 312 N 0.29 0.08 -0.35 1.82 4.81 -1.59 -1.38 114.58 118.26 1hfe h GLU 312 Ca 0.09 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1hfe h GLU 312 Cb 0.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1hfe h GLU 312 CO -0.01 0.67 -0.19 0.00 -0.73 0.00 0.00 179.01 178.74 1hfe h ALA 313 N 1.32 1.02 0.02 2.92 0.00 -0.96 0.29 119.26 123.87 1hfe h ALA 313 Ca -0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1hfe h ALA 313 Cb 1.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1hfe h ALA 313 CO 0.08 0.59 -0.87 0.28 0.00 0.00 0.00 179.25 179.33 1hfe h VAL 314 N 0.58 1.22 0.00 0.00 2.07 -1.22 -3.40 116.25 115.50 1hfe h VAL 314 Ca 0.09 -2.26 -0.18 0.00 0.82 0.00 0.00 66.70 65.16 1hfe h VAL 314 Cb 0.65 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 1hfe h VAL 314 CO 0.05 0.46 -1.06 0.71 0.02 0.00 0.00 177.57 177.75 1hfe h THR 315 N -0.90 1.06 0.00 2.57 1.35 -1.32 -3.48 112.91 112.20 1hfe h THR 315 Ca -0.23 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 1hfe h THR 315 Cb 1.27 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 1hfe h THR 315 CO -0.10 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1hfe n GLY 316 N 1.36 1.48 3.39 5.82 0.00 0.10 -5.03 105.19 112.31 1hfe n GLY 316 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1hfe n GLY 316 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfe s LYS 317 N -0.38 1.41 0.51 1.61 -0.14 -1.25 -5.00 119.74 116.50 1hfe s LYS 317 Ca 0.00 -1.40 -0.19 0.00 -1.36 0.00 0.00 55.97 53.02 1hfe s LYS 317 Cb 0.00 -1.79 -0.07 0.00 -1.68 0.00 0.00 37.83 34.29 1hfe s LYS 317 CO 0.00 0.41 1.05 0.15 -0.76 0.00 0.00 175.35 176.19 1hfe s LYS 318 N -2.32 3.66 0.78 1.68 1.02 -1.26 -3.76 119.74 119.55 1hfe s LYS 318 Ca 0.16 1.34 -0.11 0.00 0.02 0.00 0.00 55.97 57.38 1hfe s LYS 318 Cb -0.09 -2.07 0.06 0.00 -0.52 0.00 0.00 37.83 35.21 1hfe s LYS 318 CO 0.07 -0.54 1.09 -1.25 -0.92 0.00 0.00 175.35 173.80 1hfe s PRO 319 N -3.42 2.19 0.28 -1.68 0.04 -1.26 -4.95 135.00 126.19 1hfe s PRO 319 Ca 0.67 0.65 0.01 0.00 0.04 0.00 0.00 61.00 62.37 1hfe s PRO 319 Cb -0.17 -1.93 0.56 0.00 0.04 0.00 0.00 34.50 33.00 1hfe s PRO 319 CO 0.24 -1.55 1.81 -0.44 0.04 0.00 0.00 177.00 177.10 1hfe h ASP 320 N -1.04 0.81 -4.71 6.66 3.32 -1.99 -3.41 116.42 116.05 1hfe h ASP 320 Ca -0.47 0.06 -0.18 0.00 0.02 0.00 0.00 57.03 56.47 1hfe h ASP 320 Cb 1.26 -0.09 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 1hfe h ASP 320 CO 0.59 0.40 -0.69 -0.55 -1.72 0.00 0.00 179.24 177.27 1hfe s SER 321 N -5.59 0.18 0.06 6.45 0.15 -1.26 -5.03 113.70 108.66 1hfe s SER 321 Ca -0.12 -0.38 0.28 0.00 0.70 0.00 0.00 55.95 56.43 1hfe s SER 321 Cb 0.22 0.09 1.01 0.00 -1.71 0.00 0.00 66.02 65.63 1hfe s SER 321 CO 0.80 -0.24 1.81 0.79 1.20 0.00 0.00 173.24 177.60 1hfe n TRP 322 N 1.91 0.26 -2.91 3.44 7.02 -1.26 -4.79 117.44 121.11 1hfe n TRP 322 Ca -0.21 0.08 -0.41 0.00 -1.02 0.00 0.00 57.50 55.93 1hfe n TRP 322 Cb 0.56 -0.59 -0.04 0.00 -2.42 0.00 0.00 31.31 28.81 1hfe n TRP 322 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1hfe s ASP 323 N -3.44 6.89 -0.83 -0.99 1.01 -1.26 -4.89 116.67 113.15 1hfe s ASP 323 Ca 0.12 1.09 0.01 0.00 0.71 0.00 0.00 52.55 54.49 1hfe s ASP 323 Cb 0.17 -2.44 0.20 0.00 1.01 0.00 0.00 42.92 41.86 1hfe s ASP 323 CO 0.57 -0.43 0.68 -0.36 0.21 0.00 0.00 175.17 175.85 1hfe s PHE 324 N 2.36 3.79 0.50 4.23 0.40 -1.26 -4.95 117.98 123.04 1hfe s PHE 324 Ca 0.36 -3.15 0.38 0.00 -0.60 0.00 0.00 56.93 53.92 1hfe s PHE 324 Cb -0.16 -3.05 1.98 0.00 0.51 0.00 0.00 43.02 42.30 1hfe s PHE 324 CO 0.10 -0.67 2.23 0.87 0.70 0.00 0.00 175.22 178.46 1hfe h LYS 325 N 5.77 0.00 0.00 0.44 1.57 -1.99 -3.17 116.57 119.19 1hfe h LYS 325 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1hfe h LYS 325 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1hfe h LYS 325 CO 0.81 0.02 -0.04 0.00 -0.57 0.00 0.00 179.45 179.67 1hfe h ALA 326 N 1.98 1.38 -0.02 3.86 0.00 -1.92 -2.05 119.26 122.49 1hfe h ALA 326 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hfe h ALA 326 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1hfe h ALA 326 CO 0.00 0.05 -0.06 1.33 0.00 0.00 0.00 179.25 180.58 1hfe n VAL 327 N -3.69 0.00 -2.78 0.00 0.24 -1.20 -4.58 118.33 106.33 1hfe n VAL 327 Ca -0.03 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.34 61.70 1hfe n VAL 327 Cb 0.14 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 1hfe n VAL 327 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1hfe s ARG 328 N -2.08 3.38 0.00 7.34 0.52 -0.77 -4.12 118.95 123.21 1hfe s ARG 328 Ca 0.32 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1hfe s ARG 328 Cb 0.20 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1hfe s ARG 328 CO 0.36 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.87 1hfe n GLY 329 N -2.20 0.86 0.00 -3.53 0.00 -1.26 -4.75 105.19 94.31 1hfe n GLY 329 Ca 0.00 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.20 1hfe n GLY 329 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hfe n LEU 330 N -0.26 0.00 -4.73 0.99 4.77 -1.26 -4.89 117.00 111.63 1hfe n LEU 330 Ca 0.00 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1hfe n LEU 330 Cb 0.00 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1hfe n LEU 330 CO 0.00 0.00 1.24 0.47 -1.33 0.00 0.00 177.39 177.77 1hfe n ASP 331 N -0.94 3.77 -0.10 -1.43 8.00 -1.26 -4.89 116.55 119.70 1hfe n ASP 331 Ca 0.21 1.13 -0.07 0.00 0.71 0.00 0.00 54.79 56.78 1hfe n ASP 331 Cb 0.10 -1.57 -0.00 0.00 -0.02 0.00 0.00 41.12 39.62 1hfe n ASP 331 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1hfe h GLY 332 N 5.05 -0.07 -6.42 0.44 0.00 -1.90 -3.39 103.07 96.77 1hfe h GLY 332 Ca -0.46 0.32 -0.57 0.00 0.00 0.00 0.00 47.33 46.61 1hfe h GLY 332 CO 0.82 -0.20 -0.82 -0.42 0.00 0.00 0.00 176.54 175.91 1hfe s ILE 333 N -6.08 1.36 -0.08 2.60 1.01 -1.26 -2.57 121.20 116.18 1hfe s ILE 333 Ca -0.15 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1hfe s ILE 333 Cb 0.14 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1hfe s ILE 333 CO 0.69 0.42 -0.11 -0.54 0.00 0.00 0.00 174.94 175.40 1hfe s LYS 334 N 1.52 2.88 0.25 2.79 1.02 0.10 -4.95 119.74 123.35 1hfe s LYS 334 Ca 0.04 -0.63 0.11 0.00 0.02 0.00 0.00 55.97 55.51 1hfe s LYS 334 Cb -0.13 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 1hfe s LYS 334 CO -0.09 0.51 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.49 1hfe s GLU 335 N -0.43 1.80 -0.09 1.68 2.02 -1.26 -0.73 118.70 121.70 1hfe s GLU 335 Ca 0.06 -1.59 -0.30 0.00 0.02 0.00 0.00 54.97 53.16 1hfe s GLU 335 Cb -0.12 -1.91 0.08 0.00 0.10 0.00 0.00 34.13 32.28 1hfe s GLU 335 CO 0.02 0.37 0.72 0.00 0.02 0.00 0.00 175.26 176.39 1hfe s ALA 336 N -2.18 -1.79 -0.11 5.21 0.00 -0.46 -4.74 121.76 117.68 1hfe s ALA 336 Ca 0.28 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.69 1hfe s ALA 336 Cb -0.06 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1hfe s ALA 336 CO 0.15 -0.36 -0.14 0.99 0.00 0.00 0.00 175.76 176.40 1hfe s THR 337 N -0.97 1.42 -0.06 0.00 2.01 -1.26 -0.81 115.64 115.96 1hfe s THR 337 Ca -0.09 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1hfe s THR 337 Cb -0.01 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 1hfe s THR 337 CO 0.08 0.43 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.55 1hfe s VAL 338 N 1.11 1.66 -0.55 3.82 1.01 -0.42 -4.95 120.40 122.07 1hfe s VAL 338 Ca -0.04 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1hfe s VAL 338 Cb -0.14 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1hfe s VAL 338 CO -0.03 0.47 0.96 0.21 0.00 0.00 0.00 175.10 176.71 1hfe s ASN 339 N 0.20 6.35 -0.66 3.32 2.47 -1.26 -0.48 114.94 124.88 1hfe s ASN 339 Ca -0.10 -0.31 -0.04 0.00 0.42 0.00 0.00 52.86 52.83 1hfe s ASN 339 Cb -0.14 -2.45 0.17 0.00 -1.45 0.00 0.00 41.25 37.38 1hfe s ASN 339 CO 0.05 -1.24 0.49 -0.69 -3.72 0.00 0.00 177.10 171.98 1hfe s VAL 340 N 4.02 3.91 -1.11 -5.21 1.01 -0.48 -4.75 120.40 117.79 1hfe s VAL 340 Ca 0.31 -2.98 -0.07 0.00 0.00 0.00 0.00 61.98 59.24 1hfe s VAL 340 Cb -0.12 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1hfe s VAL 340 CO 0.20 -0.90 0.97 0.61 0.00 0.00 0.00 175.10 175.98 1hfe n GLY 341 N 3.45 -0.28 0.00 4.51 0.00 -1.26 -3.23 105.19 108.38 1hfe n GLY 341 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1hfe n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfe n GLY 342 N -1.72 2.29 3.71 -0.02 0.00 -1.26 -5.05 105.19 103.14 1hfe n GLY 342 Ca -0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1hfe n GLY 342 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hfe s THR 343 N -2.38 5.38 -0.72 2.61 -1.32 -1.20 -5.02 115.64 112.99 1hfe s THR 343 Ca 0.00 0.24 -0.27 0.00 -1.21 0.00 0.00 61.69 60.45 1hfe s THR 343 Cb 0.00 -3.50 0.03 0.00 -1.51 0.00 0.00 72.50 67.52 1hfe s THR 343 CO 0.00 0.41 1.25 -1.81 -2.21 0.00 0.00 174.62 172.26 1hfe s ASP 344 N 0.52 6.18 -0.42 8.08 1.11 -1.26 -1.38 116.67 129.50 1hfe s ASP 344 Ca 0.09 -0.45 -0.28 0.00 0.18 0.00 0.00 52.55 52.09 1hfe s ASP 344 Cb -0.12 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.35 1hfe s ASP 344 CO 0.00 -1.79 1.04 -0.69 1.18 0.00 0.00 175.17 174.92 1hfe s VAL 345 N 5.57 4.39 -0.12 -1.27 1.01 0.37 -4.89 120.40 125.46 1hfe s VAL 345 Ca 0.35 1.23 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 1hfe s VAL 345 Cb -0.09 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1hfe s VAL 345 CO 0.15 -0.78 0.55 -0.54 0.00 0.00 0.00 175.10 174.49 1hfe s LYS 346 N 3.97 4.35 0.10 2.72 1.02 -1.26 -1.30 119.74 129.33 1hfe s LYS 346 Ca 0.43 0.58 0.04 0.00 0.02 0.00 0.00 55.97 57.04 1hfe s LYS 346 Cb -0.10 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 1hfe s LYS 346 CO 0.25 0.08 -0.11 0.14 -0.92 0.00 0.00 175.35 174.79 1hfe s VAL 347 N 0.85 1.00 0.03 3.17 -7.23 0.01 0.15 120.40 118.38 1hfe s VAL 347 Ca 0.29 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 1hfe s VAL 347 Cb -0.16 -1.31 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1hfe s VAL 347 CO 0.12 -0.49 -0.05 0.00 -0.31 0.00 0.00 175.10 174.38 1hfe s ALA 348 N -2.20 0.27 -0.04 1.32 0.00 -0.66 -1.36 121.76 119.08 1hfe s ALA 348 Ca 0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 1hfe s ALA 348 Cb -0.04 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1hfe s ALA 348 CO 0.01 -0.12 -0.00 0.08 0.00 0.00 0.00 175.76 175.73 1hfe s VAL 349 N -1.47 0.29 -0.03 0.00 1.01 0.09 -0.72 120.40 119.57 1hfe s VAL 349 Ca -0.14 0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1hfe s VAL 349 Cb -0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 1hfe s VAL 349 CO -0.01 0.20 -0.12 0.54 0.00 0.00 0.00 175.10 175.71 1hfe s VAL 350 N 1.35 1.00 -0.01 2.92 0.11 0.06 -0.72 120.40 125.12 1hfe s VAL 350 Ca -0.05 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 1hfe s VAL 350 Cb -0.13 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1hfe s VAL 350 CO -0.02 0.30 -0.08 -1.38 -3.33 0.00 0.00 175.10 170.58 1hfe s HIS 351 N 0.07 0.75 0.00 1.54 -3.43 -1.06 -1.62 115.29 111.54 1hfe s HIS 351 Ca -0.02 -0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.10 1hfe s HIS 351 Cb -0.09 -0.48 0.00 0.00 -1.43 0.00 0.00 32.58 30.58 1hfe s HIS 351 CO 0.01 -0.02 0.00 0.41 -2.00 0.00 0.00 174.74 173.14 1hfe n GLY 352 N 2.89 0.02 0.24 -1.38 0.00 -0.11 -4.67 105.19 102.18 1hfe n GLY 352 Ca -0.13 -0.87 0.15 0.00 0.00 0.00 0.00 46.02 45.17 1hfe n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfe h ALA 353 N 0.00 1.04 0.00 4.61 0.00 -1.30 -0.64 119.26 122.96 1hfe h ALA 353 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hfe h ALA 353 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hfe h ALA 353 CO 0.00 -0.04 -0.05 0.87 0.00 0.00 0.00 179.25 180.03 1hfe h LYS 354 N 0.00 0.00 -0.00 0.00 1.57 -1.86 -1.24 116.57 115.04 1hfe h LYS 354 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hfe h LYS 354 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1hfe h LYS 354 CO 0.00 0.05 -0.28 0.54 -0.57 0.00 0.00 179.45 179.19 1hfe n ARG 355 N -3.89 0.31 -0.24 3.15 1.74 -0.25 -4.30 116.66 113.18 1hfe n ARG 355 Ca -0.03 -0.15 -0.07 0.00 -0.77 0.00 0.00 57.85 56.84 1hfe n ARG 355 Cb 0.15 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.13 1hfe n ARG 355 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1hfe h PHE 356 N 0.36 1.01 -0.64 -1.55 0.04 -1.35 -3.22 116.94 111.59 1hfe h PHE 356 Ca 0.00 -0.07 0.10 0.00 2.80 0.00 0.00 57.97 60.80 1hfe h PHE 356 Cb 0.47 -0.30 -0.08 0.00 2.20 0.00 0.00 35.95 38.24 1hfe h PHE 356 CO 0.00 0.78 0.24 -0.22 -0.60 0.00 0.00 178.31 178.51 1hfe h LYS 357 N 0.94 0.40 -0.31 1.51 3.64 -1.75 0.56 116.57 121.55 1hfe h LYS 357 Ca 0.22 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1hfe h LYS 357 Cb 0.20 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1hfe h LYS 357 CO -0.02 0.26 0.16 0.37 -2.27 0.00 0.00 179.45 177.96 1hfe h GLN 358 N 0.41 0.33 -0.24 1.90 4.15 -1.86 0.10 115.11 119.91 1hfe h GLN 358 Ca 0.33 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.68 1hfe h GLN 358 Cb 0.43 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1hfe h GLN 358 CO -0.33 0.22 -0.06 0.28 -1.93 0.00 0.00 178.83 177.00 1hfe h VAL 359 N 0.34 1.29 -0.63 2.39 2.07 -1.45 -2.52 116.25 117.73 1hfe h VAL 359 Ca 0.12 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1hfe h VAL 359 Cb 0.02 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1hfe h VAL 359 CO -0.07 0.33 0.03 0.00 0.02 0.00 0.00 177.57 177.88 1hfe h ASP 361 N 1.00 0.71 -0.58 0.00 3.32 -0.77 0.37 116.42 120.48 1hfe h ASP 361 Ca 0.18 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1hfe h ASP 361 Cb 0.53 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1hfe h ASP 361 CO 0.03 0.66 -0.03 0.44 -1.72 0.00 0.00 179.24 178.62 1hfe h ASP 362 N 0.76 1.03 -0.50 6.45 3.32 -1.11 -1.03 116.42 125.34 1hfe h ASP 362 Ca 0.18 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 1hfe h ASP 362 Cb 0.20 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1hfe h ASP 362 CO -0.01 1.11 -0.18 0.58 -1.72 0.00 0.00 179.24 179.01 1hfe h VAL 363 N 0.94 1.27 -0.37 -1.35 2.07 -0.88 -0.85 116.25 117.08 1hfe h VAL 363 Ca 0.16 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.37 1hfe h VAL 363 Cb 0.60 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1hfe h VAL 363 CO 0.04 0.47 0.17 0.50 0.02 0.00 0.00 177.57 178.77 1hfe h LYS 364 N 0.87 0.35 0.00 1.57 3.64 -0.63 -1.19 116.57 121.18 1hfe h LYS 364 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1hfe h LYS 364 Cb 0.76 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1hfe h LYS 364 CO 0.06 0.23 0.00 0.00 -2.27 0.00 0.00 179.45 177.47 1hfe n ALA 365 N -2.29 2.08 -0.86 5.00 0.00 -0.42 -4.89 120.51 119.13 1hfe n ALA 365 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1hfe n ALA 365 Cb 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1hfe n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfe n GLY 366 N 0.55 0.72 1.82 0.00 0.00 -0.45 -4.94 105.19 102.89 1hfe n GLY 366 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1hfe n GLY 366 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hfe n LYS 367 N -2.50 1.83 -3.41 1.61 4.81 -0.36 -4.92 118.16 115.23 1hfe n LYS 367 Ca 0.00 -1.96 -0.39 0.00 -0.87 0.00 0.00 58.31 55.09 1hfe n LYS 367 Cb 0.00 -1.77 -0.09 0.00 0.02 0.00 0.00 35.03 33.19 1hfe n LYS 367 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1hfe s SER 368 N -0.48 6.25 0.14 3.14 0.15 -1.23 -4.83 113.70 116.83 1hfe s SER 368 Ca 0.37 0.28 0.27 0.00 0.70 0.00 0.00 55.95 57.57 1hfe s SER 368 Cb 0.31 -2.20 0.86 0.00 -1.71 0.00 0.00 66.02 63.28 1hfe s SER 368 CO 0.06 -0.16 1.75 -2.65 1.20 0.00 0.00 173.24 173.44 1hfe n PRO 369 N 5.25 0.18 -2.90 5.44 -0.02 -1.26 -4.93 135.00 136.76 1hfe n PRO 369 Ca -0.09 0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 1hfe n PRO 369 Cb 0.51 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 1hfe n PRO 369 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1hfe s TYR 370 N -3.08 3.41 -0.15 6.00 2.02 -1.26 -4.72 117.35 119.57 1hfe s TYR 370 Ca 0.11 1.24 0.19 0.00 -0.37 0.00 0.00 57.07 58.24 1hfe s TYR 370 Cb 0.14 -2.58 -0.27 0.00 -0.40 0.00 0.00 41.96 38.86 1hfe s TYR 370 CO 0.60 -0.07 0.21 0.72 -1.57 0.00 0.00 175.55 175.44 1hfe n HIS 371 N -0.90 0.04 -3.72 2.71 8.25 0.12 -3.65 115.22 118.07 1hfe n HIS 371 Ca 0.04 0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 1hfe n HIS 371 Cb 0.54 -0.87 -0.12 0.00 1.12 0.00 0.00 29.99 30.66 1hfe n HIS 371 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1hfe s PHE 372 N -2.78 -0.43 -0.05 4.41 2.19 -1.19 -1.28 117.98 118.86 1hfe s PHE 372 Ca -0.09 0.97 0.03 0.00 0.33 0.00 0.00 56.93 58.16 1hfe s PHE 372 Cb 0.08 0.13 0.01 0.00 -1.31 0.00 0.00 43.02 41.93 1hfe s PHE 372 CO 0.85 -0.27 -0.14 0.42 1.83 0.00 0.00 175.22 177.92 1hfe s ILE 373 N 1.21 1.21 -0.17 3.12 1.01 -0.14 -1.66 121.20 125.77 1hfe s ILE 373 Ca -0.09 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1hfe s ILE 373 Cb -0.09 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1hfe s ILE 373 CO -0.09 0.36 0.12 -0.70 0.00 0.00 0.00 174.94 174.63 1hfe s GLU 374 N 0.37 3.90 -0.08 2.79 2.12 0.11 -1.79 118.70 126.12 1hfe s GLU 374 Ca -0.09 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.05 1hfe s GLU 374 Cb -0.13 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.96 1hfe s GLU 374 CO 0.03 0.44 -0.19 0.71 -0.54 0.00 0.00 175.26 175.71 1hfe s TYR 375 N -0.07 2.05 -0.08 5.30 1.51 -1.26 -0.76 117.35 124.05 1hfe s TYR 375 Ca 0.09 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 1hfe s TYR 375 Cb -0.12 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1hfe s TYR 375 CO 0.00 -0.34 -0.06 -1.64 -1.11 0.00 0.00 175.55 172.40 1hfe s MET 376 N 0.45 1.18 0.41 -0.62 -1.94 -0.64 -4.62 119.30 113.52 1hfe s MET 376 Ca -0.16 -0.16 0.16 0.00 -1.71 0.00 0.00 55.69 53.82 1hfe s MET 376 Cb -0.17 -1.24 0.90 0.00 2.01 0.00 0.00 34.83 36.34 1hfe s MET 376 CO 0.06 -0.18 1.90 0.00 -0.01 0.00 0.00 175.02 176.79 1hfe h ALA 377 N 7.77 1.43 -2.94 3.03 0.00 -1.92 -0.27 119.26 126.37 1hfe h ALA 377 Ca -0.29 -0.26 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 1hfe h ALA 377 Cb 1.14 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1hfe h ALA 377 CO 0.40 0.35 -0.34 0.00 0.00 0.00 0.00 179.25 179.66 1hfe s PRO 379 N -0.14 4.13 0.00 0.00 0.02 -1.26 -1.07 135.00 136.68 1hfe s PRO 379 Ca 0.17 2.62 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1hfe s PRO 379 Cb -0.13 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1hfe s PRO 379 CO 0.05 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 1hfe n GLY 380 N 4.16 1.78 3.15 0.52 0.00 -1.26 -4.64 105.19 108.90 1hfe n GLY 380 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1hfe n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfe n GLY 381 N -2.00 -1.88 0.31 -0.02 0.00 -0.23 -1.74 105.19 99.63 1hfe n GLY 381 Ca 0.00 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.38 1hfe n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfe h VAL 383 N 0.00 0.36 -0.55 0.00 -1.51 -0.59 0.39 116.25 114.34 1hfe h VAL 383 Ca 0.10 -0.15 -0.31 0.00 -1.23 0.00 0.00 66.70 65.11 1hfe h VAL 383 Cb 0.41 1.10 -0.18 0.00 -2.13 0.00 0.00 31.29 30.49 1hfe h VAL 383 CO -0.00 0.03 0.07 0.00 -1.23 0.00 0.00 177.57 176.44 1hfe s GLY 385 N -2.33 1.60 0.01 0.00 0.00 0.12 -4.77 107.32 101.95 1hfe s GLY 385 Ca 0.49 -0.14 0.14 0.00 0.00 0.00 0.00 44.72 45.21 1hfe s GLY 385 CO 0.02 0.40 1.43 0.61 0.00 0.00 0.00 173.10 175.56 1hfe n GLY 386 N -0.96 -0.97 0.89 0.20 0.00 -1.11 -2.57 105.19 100.68 1hfe n GLY 386 Ca 0.06 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1hfe n GLY 386 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfe n GLY 387 N -0.12 1.22 3.88 -0.02 0.00 0.55 -4.61 105.19 106.10 1hfe n GLY 387 Ca 0.03 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1hfe n GLY 387 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hfe s GLN 388 N -1.41 3.64 0.45 1.61 -1.52 -1.06 -2.59 119.66 118.77 1hfe s GLN 388 Ca 0.29 0.61 -0.25 0.00 -1.95 0.00 0.00 55.36 54.06 1hfe s GLN 388 Cb 0.18 -2.19 -0.08 0.00 -0.22 0.00 0.00 33.01 30.70 1hfe s GLN 388 CO 0.25 -0.40 1.41 -2.14 -0.25 0.00 0.00 175.29 174.17 1hfe s PRO 389 N -4.82 3.71 0.47 2.91 0.02 -1.26 -4.81 135.00 131.21 1hfe s PRO 389 Ca 0.53 2.39 -0.24 0.00 0.02 0.00 0.00 61.00 63.70 1hfe s PRO 389 Cb -0.11 -2.66 -0.07 0.00 0.02 0.00 0.00 34.50 31.68 1hfe s PRO 389 CO 0.47 -0.78 1.30 0.08 -0.33 0.00 0.00 177.00 177.74 1hfe s VAL 390 N -1.21 2.51 0.50 3.83 1.01 -1.26 -4.99 120.40 120.79 1hfe s VAL 390 Ca 0.61 0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.81 1hfe s VAL 390 Cb -0.43 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1hfe s VAL 390 CO 0.55 0.03 1.03 -0.04 0.00 0.00 0.00 175.10 176.67 1hfe s MET 391 N -2.57 3.77 0.56 2.72 -1.94 -1.26 -4.98 119.30 115.59 1hfe s MET 391 Ca 0.63 1.30 -0.21 0.00 -1.71 0.00 0.00 55.69 55.70 1hfe s MET 391 Cb -0.37 -2.09 -0.05 0.00 2.01 0.00 0.00 34.83 34.33 1hfe s MET 391 CO 0.46 -0.44 1.30 -2.30 -0.01 0.00 0.00 175.02 174.03 1hfe n PRO 392 N -1.12 1.55 0.00 2.03 -0.02 -1.26 -2.72 135.00 133.46 1hfe n PRO 392 Ca 0.09 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1hfe n PRO 392 Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1hfe n PRO 392 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hfe n GLY 393 N 0.84 3.36 0.09 -1.23 0.00 -1.26 -4.89 105.19 102.09 1hfe n GLY 393 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1hfe n GLY 393 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1hfe h VAL 394 N 0.00 1.25 -1.98 1.61 2.07 -1.90 -3.46 116.25 113.83 1hfe h VAL 394 Ca 0.00 -1.23 -0.50 0.00 0.82 0.00 0.00 66.70 65.79 1hfe h VAL 394 Cb 0.00 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1hfe h VAL 394 CO 0.00 0.30 -0.48 -0.76 0.02 0.00 0.00 177.57 176.65 1hfe s LEU 395 N -9.08 3.68 0.54 2.57 1.43 -1.26 -4.43 118.68 112.13 1hfe s LEU 395 Ca -0.15 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 1hfe s LEU 395 Cb 0.01 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 1hfe s LEU 395 CO 0.62 -0.23 1.07 -1.83 0.23 0.00 0.00 176.35 176.21 1hfe s GLU 396 N -3.94 3.49 0.40 1.70 -1.05 -1.26 -4.96 118.70 113.09 1hfe s GLU 396 Ca 0.38 1.38 0.12 0.00 -0.15 0.00 0.00 54.97 56.70 1hfe s GLU 396 Cb -0.07 -2.05 0.84 0.00 -0.44 0.00 0.00 34.13 32.42 1hfe s GLU 396 CO 0.26 -0.69 1.92 0.00 0.95 0.00 0.00 175.26 177.69 1hfe h ALA 397 N 1.06 1.54 0.00 -0.84 0.00 -2.00 -3.51 119.26 115.50 1hfe h ALA 397 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1hfe h ALA 397 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1hfe h ALA 397 CO 0.58 0.34 0.00 -1.33 0.00 0.00 0.00 179.25 178.84