#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 3.61 -0.17 4.33 0.52 -1.26 -4.90 118.95 121.07 1hfe s ARG 3 Ca 0.00 0.56 -0.09 0.00 -0.52 0.00 0.00 55.73 55.68 1hfe s ARG 3 Cb 0.00 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 1hfe s ARG 3 CO 0.00 -0.41 0.12 0.99 0.02 0.00 0.00 175.30 176.03 1hfe s THR 4 N -2.97 5.35 -0.13 0.02 2.01 -0.53 -4.84 115.64 114.55 1hfe s THR 4 Ca 0.52 0.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.45 1hfe s THR 4 Cb -0.11 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1hfe s THR 4 CO 0.49 0.49 0.72 -0.69 -0.69 0.00 0.00 174.62 174.94 1hfe s VAL 5 N -0.03 4.99 -0.18 3.82 1.01 -1.26 -0.61 120.40 128.13 1hfe s VAL 5 Ca 0.09 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 1hfe s VAL 5 Cb -0.11 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.27 1hfe s VAL 5 CO -0.00 0.15 -0.02 -0.04 0.00 0.00 0.00 175.10 175.18 1hfe s MET 6 N 1.49 1.21 -1.31 2.72 -1.94 0.36 -4.81 119.30 117.03 1hfe s MET 6 Ca 0.35 -0.56 -0.07 0.00 -1.71 0.00 0.00 55.69 53.71 1hfe s MET 6 Cb -0.17 -2.11 -0.00 0.00 2.01 0.00 0.00 34.83 34.56 1hfe s MET 6 CO 0.14 -0.52 0.57 0.39 -0.01 0.00 0.00 175.02 175.59 1hfe n GLU 7 N 4.89 -2.84 0.00 2.03 -0.58 -1.26 -1.93 120.64 120.95 1hfe n GLU 7 Ca -0.11 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1hfe n GLU 7 Cb 0.47 -4.46 0.00 0.00 -0.57 0.00 0.00 31.44 26.88 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 -4.33 0.00 -3.58 3.49 5.12 -1.26 -4.69 116.66 111.40 1hfe n ARG 8 Ca -0.24 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.30 1hfe n ARG 8 Cb 0.66 -1.07 -0.06 0.00 -1.16 0.00 0.00 32.46 30.83 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 -0.65 5.20 0.25 0.55 -1.09 -0.81 -5.02 121.20 119.62 1hfe s ILE 9 Ca 0.00 0.65 -0.25 0.00 -2.23 0.00 0.00 60.65 58.81 1hfe s ILE 9 Cb 0.00 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 37.16 1hfe s ILE 9 CO 0.00 0.54 0.86 -1.61 -1.23 0.00 0.00 174.94 173.50 1hfe s GLU 10 N -0.69 4.57 -0.04 2.79 2.02 -1.26 -0.49 118.70 125.60 1hfe s GLU 10 Ca 0.20 1.23 0.03 0.00 0.02 0.00 0.00 54.97 56.46 1hfe s GLU 10 Cb -0.15 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 31.07 1hfe s GLU 10 CO 0.09 0.42 -0.12 0.71 0.02 0.00 0.00 175.26 176.38 1hfe s TYR 11 N -1.40 1.32 0.05 1.61 1.51 0.22 -1.21 117.35 119.46 1hfe s TYR 11 Ca 0.44 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.79 1hfe s TYR 11 Cb -0.21 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 1hfe s TYR 11 CO 0.25 -0.18 0.96 -1.21 -1.11 0.00 0.00 175.55 174.26 1hfe s GLU 12 N 0.34 4.62 -1.48 -0.62 0.41 -0.53 -1.45 118.70 120.00 1hfe s GLU 12 Ca -0.08 1.41 -0.09 0.00 -0.41 0.00 0.00 54.97 55.81 1hfe s GLU 12 Cb -0.12 -3.42 0.01 0.00 -1.78 0.00 0.00 34.13 28.83 1hfe s GLU 12 CO 0.02 0.09 2.64 -1.33 -0.49 0.00 0.00 175.26 176.19 1hfe n MET 13 N 3.31 3.97 -3.95 1.61 2.81 -1.26 -3.59 117.12 120.02 1hfe n MET 13 Ca 0.04 -2.77 -0.35 0.00 -1.81 0.00 0.00 57.70 52.81 1hfe n MET 13 Cb 0.50 -2.78 -0.14 0.00 -0.71 0.00 0.00 33.22 30.09 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 0.91 2.92 -0.29 2.03 5.04 -1.26 -4.92 115.29 119.72 1hfe s HIS 14 Ca 0.61 -1.11 -0.11 0.00 -1.54 0.00 0.00 55.06 52.91 1hfe s HIS 14 Cb 0.17 -2.06 -0.04 0.00 0.04 0.00 0.00 32.58 30.69 1hfe s HIS 14 CO -0.07 -0.61 0.19 0.99 -2.34 0.00 0.00 174.74 172.89 1hfe s THR 15 N 1.43 5.16 0.50 0.89 2.01 -1.21 -0.87 115.64 123.55 1hfe s THR 15 Ca 0.05 0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 1hfe s THR 15 Cb -0.14 -3.50 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 1hfe s THR 15 CO -0.05 0.19 1.41 -2.65 -0.69 0.00 0.00 174.62 172.83 1hfe n PRO 16 N 5.05 2.00 -2.10 4.92 -0.02 -1.26 -4.95 135.00 138.65 1hfe n PRO 16 Ca -0.14 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 1hfe n PRO 16 Cb 0.51 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1hfe n PRO 16 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1hfe s ASP 17 N -0.68 6.75 0.64 2.55 -1.08 -1.26 -4.88 116.67 118.72 1hfe s ASP 17 Ca 0.66 2.70 0.34 0.00 -0.52 0.00 0.00 52.55 55.73 1hfe s ASP 17 Cb -0.43 -2.65 1.86 0.00 -1.46 0.00 0.00 42.92 40.24 1hfe s ASP 17 CO 0.53 -0.55 2.09 1.55 0.52 0.00 0.00 175.17 179.32 1hfe h PRO 18 N 3.39 0.00 -0.22 4.34 0.13 -1.94 0.98 132.00 138.67 1hfe h PRO 18 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1hfe h PRO 18 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1hfe h PRO 18 CO 0.66 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.06 1hfe n LYS 19 N -3.21 2.09 -1.89 0.86 5.02 -1.26 -4.98 118.16 114.78 1hfe n LYS 19 Ca -0.01 -1.63 -0.38 0.00 -2.02 0.00 0.00 58.31 54.27 1hfe n LYS 19 Cb 0.29 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.72 2.91 -0.41 7.82 0.00 0.33 -4.96 121.76 125.74 1hfe s ALA 20 Ca 0.35 1.26 -0.24 0.00 0.00 0.00 0.00 51.96 53.32 1hfe s ALA 20 Cb 0.20 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1hfe s ALA 20 CO 0.29 -1.18 0.85 0.34 0.00 0.00 0.00 175.76 176.06 1hfe s ASP 21 N -0.98 6.54 0.58 0.00 -1.08 -1.26 -4.85 116.67 115.62 1hfe s ASP 21 Ca 0.68 0.26 0.34 0.00 -0.52 0.00 0.00 52.55 53.31 1hfe s ASP 21 Cb -0.38 -2.42 1.78 0.00 -1.46 0.00 0.00 42.92 40.43 1hfe s ASP 21 CO 0.46 -0.88 2.17 1.55 0.52 0.00 0.00 175.17 178.99 1hfe h PRO 22 N 8.73 0.00 0.00 4.34 0.13 -1.88 -0.72 132.00 142.59 1hfe h PRO 22 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1hfe h PRO 22 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1hfe h PRO 22 CO 0.97 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.53 1hfe n ASP 23 N -3.40 0.35 -0.84 1.44 8.00 -1.26 -2.31 116.55 118.54 1hfe n ASP 23 Ca -0.02 0.57 0.09 0.00 0.71 0.00 0.00 54.79 56.14 1hfe n ASP 23 Cb 0.18 -0.65 0.13 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.87 1.93 -4.19 -1.24 5.02 -0.28 -4.79 118.16 112.74 1hfe n LYS 24 Ca 0.04 -1.85 -0.31 0.00 -2.02 0.00 0.00 58.31 54.17 1hfe n LYS 24 Cb 0.25 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.37 3.52 -0.02 -0.35 1.43 -0.98 -5.05 118.68 115.87 1hfe s LEU 25 Ca 0.27 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 1hfe s LEU 25 Cb 0.17 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1hfe s LEU 25 CO 0.24 0.22 0.43 -1.00 0.23 0.00 0.00 176.35 176.48 1hfe s HIS 26 N -1.21 3.69 -0.05 0.29 3.76 -1.26 -4.97 115.29 115.53 1hfe s HIS 26 Ca 0.23 0.99 0.06 0.00 -0.15 0.00 0.00 55.06 56.19 1hfe s HIS 26 Cb -0.12 -2.36 -0.09 0.00 1.11 0.00 0.00 32.58 31.12 1hfe s HIS 26 CO 0.15 0.53 0.06 1.19 -0.85 0.00 0.00 174.74 175.82 1hfe n PHE 27 N 2.23 0.00 -4.85 1.40 3.01 -1.26 -4.56 117.46 113.42 1hfe n PHE 27 Ca -0.12 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.08 1hfe n PHE 27 Cb 0.52 -0.28 -0.16 0.00 -0.01 0.00 0.00 39.48 39.55 1hfe n PHE 27 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1hfe s VAL 28 N -2.26 1.45 0.02 -4.37 1.01 -1.26 -1.17 120.40 113.82 1hfe s VAL 28 Ca -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1hfe s VAL 28 Cb 0.03 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1hfe s VAL 28 CO 0.28 0.42 0.03 -1.10 0.00 0.00 0.00 175.10 174.72 1hfe s GLN 29 N 0.01 0.44 -0.15 2.72 -0.21 -0.45 -4.91 119.66 117.10 1hfe s GLN 29 Ca -0.03 -0.68 -0.05 0.00 0.02 0.00 0.00 55.36 54.62 1hfe s GLN 29 Cb -0.11 0.16 -0.03 0.00 1.00 0.00 0.00 33.01 34.03 1hfe s GLN 29 CO 0.02 -0.09 0.01 0.42 -2.12 0.00 0.00 175.29 173.54 1hfe s ILE 30 N -1.98 4.36 -0.69 1.08 1.01 -1.26 -0.48 121.20 123.24 1hfe s ILE 30 Ca -0.11 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 1hfe s ILE 30 Cb -0.06 -2.92 0.06 0.00 0.01 0.00 0.00 42.46 39.55 1hfe s ILE 30 CO -0.02 0.50 1.05 -0.62 0.00 0.00 0.00 174.94 175.85 1hfe s ASP 31 N 0.13 6.18 0.64 3.58 -1.08 0.81 -4.89 116.67 122.04 1hfe s ASP 31 Ca 0.02 -0.88 0.39 0.00 -0.52 0.00 0.00 52.55 51.56 1hfe s ASP 31 Cb -0.13 -2.45 2.22 0.00 -1.46 0.00 0.00 42.92 41.09 1hfe s ASP 31 CO 0.02 -1.53 2.33 -0.33 0.52 0.00 0.00 175.17 176.17 1hfe h GLU 32 N 9.67 0.00 0.00 4.34 5.08 -1.86 -0.55 114.58 131.26 1hfe h GLU 32 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1hfe h GLU 32 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1hfe h GLU 32 CO 1.21 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 179.10 1hfe h ALA 33 N 1.99 0.99 0.00 3.43 0.00 -1.96 -3.06 119.26 120.66 1hfe h ALA 33 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1hfe h ALA 33 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hfe h ALA 33 CO -0.00 0.15 -0.99 1.63 0.00 0.00 0.00 179.25 180.03 1hfe n LYS 34 N -3.23 0.58 -2.54 0.00 5.02 -0.24 -4.97 118.16 112.78 1hfe n LYS 34 Ca 0.01 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1hfe n LYS 34 Cb 0.41 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 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 3.59 0.16 -3.04 0.00 -5.35 -1.26 -4.55 119.36 108.91 1hfe n ILE 36 Ca 0.07 -0.58 -0.15 0.00 -0.27 0.00 0.00 62.75 61.81 1hfe n ILE 36 Cb 0.48 1.25 0.04 0.00 -1.74 0.00 0.00 39.64 39.67 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 1.10 -0.05 0.13 3.28 0.00 -1.25 -4.09 105.19 104.31 1hfe n GLY 37 Ca 0.13 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.29 -2.62 -0.06 0.00 8.00 -1.26 -4.91 116.55 113.42 1hfe n ASP 39 Ca 0.03 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 1hfe n ASP 39 Cb 0.31 -1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 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 1.05 -0.47 -3.53 2.02 -1.94 -1.02 112.91 109.01 1hfe h THR 40 Ca 0.00 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1hfe h THR 40 Cb 0.21 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1hfe h THR 40 CO 0.00 0.06 0.31 0.00 0.37 0.00 0.00 175.52 176.25 1hfe h SER 42 N 0.62 0.59 1.20 0.00 0.02 -1.83 0.19 113.55 114.35 1hfe h SER 42 Ca 0.18 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1hfe h SER 42 Cb -0.05 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1hfe h SER 42 CO -0.05 0.37 0.00 1.56 -1.14 0.00 0.00 176.83 177.57 1hfe h GLN 43 N 0.66 0.00 0.00 3.45 1.08 -0.28 -3.14 115.11 116.88 1hfe h GLN 43 Ca 0.30 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.28 1hfe h GLN 43 Cb 0.32 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 1hfe h GLN 43 CO -0.10 0.00 -1.95 0.66 -0.95 0.00 0.00 178.83 176.49 1hfe n TYR 44 N -2.31 0.39 -1.94 2.96 4.01 -0.11 -4.96 117.16 115.20 1hfe n TYR 44 Ca 0.04 0.13 -0.42 0.00 -0.16 0.00 0.00 57.90 57.49 1hfe n TYR 44 Cb 0.35 -0.94 -0.03 0.00 -0.31 0.00 0.00 39.34 38.42 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 8.73 0.00 -0.09 0.00 0.13 -1.89 -3.31 132.00 135.56 1hfe h PRO 46 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.93 0.21 0.00 0.25 -0.23 0.00 0.00 178.00 179.16 1hfe n THR 47 N -3.30 0.81 -3.82 1.56 -2.24 -1.26 -4.62 114.28 101.41 1hfe n THR 47 Ca 0.01 -0.91 -0.27 0.00 -2.27 0.00 0.00 64.05 60.62 1hfe n THR 47 Cb 0.46 0.61 0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.10 -1.55 0.80 6.98 0.00 -1.25 -4.87 120.51 120.53 1hfe n ALA 48 Ca 0.03 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1hfe n ALA 48 Cb 0.27 -3.62 0.50 0.00 0.00 0.00 0.00 19.45 16.60 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 2.31 -2.55 0.00 0.00 -1.26 -4.72 120.51 109.73 1hfe n ALA 49 Ca -0.08 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1hfe n ALA 49 Cb 0.58 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 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 5.07 0.11 0.00 1.01 -1.26 -4.26 121.20 118.81 1hfe s ILE 50 Ca 0.12 0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.98 1hfe s ILE 50 Cb 0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1hfe s ILE 50 CO 0.57 -0.16 0.34 -0.36 0.00 0.00 0.00 174.94 175.32 1hfe s PHE 51 N 2.26 3.50 0.00 3.97 0.40 0.40 -4.90 117.98 123.62 1hfe s PHE 51 Ca 0.16 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 1hfe s PHE 51 Cb -0.16 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.40 1hfe s PHE 51 CO 0.13 0.49 0.00 0.41 0.70 0.00 0.00 175.22 176.95 1hfe n GLY 52 N 0.31 4.55 3.86 4.36 0.00 -1.26 -1.44 105.19 115.57 1hfe n GLY 52 Ca -0.04 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.80 3.10 0.09 1.61 2.02 -1.26 -4.94 118.70 114.52 1hfe s GLU 53 Ca 0.00 0.70 -0.32 0.00 0.02 0.00 0.00 54.97 55.37 1hfe s GLU 53 Cb 0.00 -2.03 -0.11 0.00 0.10 0.00 0.00 34.13 32.09 1hfe s GLU 53 CO 0.00 -0.91 1.81 -0.12 0.02 0.00 0.00 175.26 176.06 1hfe n MET 54 N -2.97 2.59 -0.16 1.61 0.00 -1.26 -1.15 117.12 115.78 1hfe n MET 54 Ca 0.07 0.94 0.00 0.00 -0.00 0.00 0.00 57.70 58.71 1hfe n MET 54 Cb 0.55 -2.81 0.00 0.00 0.00 0.00 0.00 33.22 30.96 1hfe n MET 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1hfe n GLY 55 N 4.15 1.27 3.62 -5.12 0.00 0.46 -5.03 105.19 104.53 1hfe n GLY 55 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.50 2.23 0.28 1.61 0.41 -0.30 -4.55 118.70 117.89 1hfe s GLU 56 Ca 0.00 -1.21 -0.30 0.00 -0.41 0.00 0.00 54.97 53.05 1hfe s GLU 56 Cb 0.00 -2.25 -0.13 0.00 -1.78 0.00 0.00 34.13 29.98 1hfe s GLU 56 CO 0.00 0.44 1.39 -2.30 -0.49 0.00 0.00 175.26 174.29 1hfe n PRO 57 N -0.11 2.14 -3.87 0.39 -0.02 -1.26 -3.84 135.00 128.43 1hfe n PRO 57 Ca -0.10 0.76 -0.22 0.00 -2.02 0.00 0.00 63.50 61.92 1hfe n PRO 57 Cb 0.56 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 -0.42 3.46 0.22 6.00 3.76 -1.26 -4.60 115.29 122.45 1hfe s HIS 58 Ca 0.63 0.06 -0.21 0.00 -0.15 0.00 0.00 55.06 55.39 1hfe s HIS 58 Cb -0.60 -1.64 0.04 0.00 1.11 0.00 0.00 32.58 31.49 1hfe s HIS 58 CO 0.54 0.40 0.64 -1.54 -0.85 0.00 0.00 174.74 173.93 1hfe s SER 59 N -3.87 -0.37 -0.63 1.40 1.04 -0.52 -4.66 113.70 106.09 1hfe s SER 59 Ca 0.35 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.43 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 0.30 -1.16 0.40 -0.63 0.98 0.00 0.00 173.24 173.13 1hfe s ILE 60 N -3.85 2.98 0.25 -1.02 1.01 -1.26 -0.46 121.20 118.84 1hfe s ILE 60 Ca 0.07 -3.65 0.14 0.00 0.00 0.00 0.00 60.65 57.22 1hfe s ILE 60 Cb -0.03 -2.99 0.05 0.00 0.01 0.00 0.00 42.46 39.50 1hfe s ILE 60 CO -0.02 -0.90 1.68 1.55 0.00 0.00 0.00 174.94 177.26 1hfe h PRO 61 N 6.15 0.00 -4.73 2.79 0.13 -1.96 -3.41 132.00 130.97 1hfe h PRO 61 Ca 0.02 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.49 1hfe h PRO 61 Cb 0.85 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.59 1hfe h PRO 61 CO 0.72 0.50 -0.73 -1.01 -0.23 0.00 0.00 178.00 177.24 1hfe s HIS 62 N -3.68 3.64 0.47 1.56 3.76 -1.26 -4.97 115.29 114.80 1hfe s HIS 62 Ca -0.01 -2.81 0.16 0.00 -0.15 0.00 0.00 55.06 52.24 1hfe s HIS 62 Cb 0.12 -2.69 1.10 0.00 1.11 0.00 0.00 32.58 32.23 1hfe s HIS 62 CO 0.73 -0.93 2.04 -0.84 -0.85 0.00 0.00 174.74 174.89 1hfe h ILE 63 N 6.64 1.07 -0.15 0.60 3.07 -1.95 -2.36 117.51 124.42 1hfe h ILE 63 Ca -0.08 -0.46 0.04 0.00 1.55 0.00 0.00 64.86 65.91 1hfe h ILE 63 Cb 1.03 1.25 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 1hfe h ILE 63 CO 0.51 0.13 0.16 -0.33 -1.05 0.00 0.00 178.15 177.57 1hfe h GLU 64 N 0.00 0.00 0.00 0.16 3.07 -1.93 -0.17 114.58 115.71 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 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1hfe h GLU 64 CO 0.02 0.00 -0.76 0.00 -1.40 0.00 0.00 179.01 176.86 1hfe h ALA 65 N 1.82 0.57 -2.61 3.43 0.00 -1.82 -3.47 119.26 117.18 1hfe h ALA 65 Ca 0.07 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.44 1hfe h ALA 65 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1hfe h ALA 65 CO -0.00 0.00 0.22 0.00 0.00 0.00 0.00 179.25 179.47 1hfe n ILE 67 N 3.13 1.45 -2.22 0.00 -5.35 -1.26 -4.97 119.36 110.13 1hfe n ILE 67 Ca 0.00 -1.15 -0.18 0.00 -0.27 0.00 0.00 62.75 61.15 1hfe n ILE 67 Cb 0.50 0.29 -0.02 0.00 -1.74 0.00 0.00 39.64 38.67 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 1.04 -5.08 0.21 7.28 3.02 -1.26 -4.34 115.26 116.13 1hfe n ASN 68 Ca 0.22 0.14 0.06 0.00 -0.03 0.00 0.00 54.58 54.98 1hfe n ASN 68 Cb 0.72 -4.31 0.46 0.00 -0.61 0.00 0.00 39.78 36.04 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 -0.34 0.46 0.21 0.00 0.00 -1.26 -2.72 105.19 101.54 1hfe n GLY 70 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 0.56 0.00 0.11 1.61 1.08 -1.91 -1.47 115.11 115.08 1hfe h GLN 71 Ca -0.03 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1hfe h GLN 71 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1hfe h GLN 71 CO 0.04 0.29 -0.05 0.00 -0.95 0.00 0.00 178.83 178.16 1hfe h LEU 73 N -0.50 -0.12 0.00 0.00 6.46 -1.83 -2.05 115.31 117.28 1hfe h LEU 73 Ca -0.01 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1hfe h LEU 73 Cb 0.41 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1hfe h LEU 73 CO 0.02 -0.02 0.00 0.35 -0.62 0.00 0.00 178.44 178.17 1hfe n THR 74 N -5.17 0.32 -0.01 1.05 -2.24 -0.59 -3.28 114.28 104.36 1hfe n THR 74 Ca 0.02 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1hfe n THR 74 Cb 0.18 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.24 0.00 -2.16 4.78 8.25 -0.83 -4.65 115.22 119.37 1hfe n HIS 75 Ca 0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.14 1hfe n HIS 75 Cb 0.15 0.00 -0.02 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 9.64 0.00 -0.07 0.00 0.13 -1.93 -3.09 132.00 136.69 1hfe h PRO 77 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1hfe h PRO 77 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1hfe h PRO 77 CO 0.98 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.14 1hfe n GLU 78 N -2.82 2.19 -3.50 0.86 -0.58 -1.26 -4.63 120.64 110.90 1hfe n GLU 78 Ca 0.01 -1.74 -0.25 0.00 -0.42 0.00 0.00 57.16 54.76 1hfe n GLU 78 Cb 0.30 -1.47 0.05 0.00 -0.57 0.00 0.00 31.44 29.75 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 1.09 -5.88 -0.02 1.62 5.15 -1.17 -4.89 115.26 111.17 1hfe n ASN 79 Ca 0.16 -0.51 0.12 0.00 -0.60 0.00 0.00 54.58 53.74 1hfe n ASN 79 Cb 0.54 -4.68 0.21 0.00 -0.53 0.00 0.00 39.78 35.32 1hfe n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hfe n ALA 80 N -4.50 3.68 -2.87 5.20 0.00 -1.26 -4.88 120.51 115.88 1hfe n ALA 80 Ca -0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 1hfe n ALA 80 Cb 0.57 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.97 4.50 0.34 0.00 1.01 -1.26 -0.13 121.20 122.68 1hfe s ILE 81 Ca 0.11 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1hfe s ILE 81 Cb 0.17 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.56 1hfe s ILE 81 CO 0.71 0.47 -0.00 -0.72 0.00 0.00 0.00 174.94 175.40 1hfe s TYR 82 N 0.40 2.17 -0.12 3.97 1.13 0.37 -4.64 117.35 120.62 1hfe s TYR 82 Ca 0.01 -0.76 -0.13 0.00 -1.41 0.00 0.00 57.07 54.78 1hfe s TYR 82 Cb -0.13 -1.39 -0.05 0.00 -1.10 0.00 0.00 41.96 39.29 1hfe s TYR 82 CO 0.01 0.26 0.28 -1.21 -2.51 0.00 0.00 175.55 172.39 1hfe s GLU 83 N -3.77 4.01 0.08 -3.49 2.02 -0.35 -1.34 118.70 115.87 1hfe s GLU 83 Ca 0.34 0.11 0.24 0.00 0.02 0.00 0.00 54.97 55.68 1hfe s GLU 83 Cb 0.07 -3.33 0.32 0.00 0.10 0.00 0.00 34.13 31.30 1hfe s GLU 83 CO 0.15 0.45 1.29 0.00 0.02 0.00 0.00 175.26 177.17 1hfe n ALA 84 N 2.86 3.12 -2.87 5.21 0.00 -0.32 -1.45 120.51 127.05 1hfe n ALA 84 Ca -0.14 -0.29 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 1hfe n ALA 84 Cb 0.53 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.14 1.68 -0.13 0.00 -1.52 -1.26 -4.40 119.66 110.88 1hfe s GLN 85 Ca 0.07 -0.59 -0.08 0.00 -1.95 0.00 0.00 55.36 52.81 1hfe s GLN 85 Cb 0.14 -1.48 0.05 0.00 -0.22 0.00 0.00 33.01 31.50 1hfe s GLN 85 CO 0.73 0.25 0.32 0.45 -0.25 0.00 0.00 175.29 176.79 1hfe s SER 86 N 0.00 -0.38 0.00 5.90 0.15 -0.05 -4.88 113.70 114.44 1hfe s SER 86 Ca -0.03 0.69 0.25 0.00 0.70 0.00 0.00 55.95 57.56 1hfe s SER 86 Cb -0.11 0.59 0.51 0.00 -1.71 0.00 0.00 66.02 65.31 1hfe s SER 86 CO 0.02 -0.17 1.44 0.79 1.20 0.00 0.00 173.24 176.52 1hfe n TRP 87 N 4.04 0.08 -0.24 3.44 8.01 -1.26 -3.34 117.44 128.18 1hfe n TRP 87 Ca -0.23 -0.04 0.04 0.00 -1.31 0.00 0.00 57.50 55.96 1hfe n TRP 87 Cb 0.55 0.00 0.15 0.00 -2.01 0.00 0.00 31.31 30.00 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 3.81 0.46 -0.65 -0.99 2.07 -1.95 0.09 116.25 119.10 1hfe h VAL 88 Ca 0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1hfe h VAL 88 Cb 0.81 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1hfe h VAL 88 CO 0.00 0.03 0.35 -0.65 0.02 0.00 0.00 177.57 177.32 1hfe h PRO 89 N 0.18 0.89 -0.21 1.57 0.11 -1.96 -0.51 132.00 132.07 1hfe h PRO 89 Ca 0.39 -0.10 -0.17 0.00 0.11 0.00 0.00 66.00 66.23 1hfe h PRO 89 Cb 0.66 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1hfe h PRO 89 CO -0.55 0.66 -0.52 1.49 -0.21 0.00 0.00 178.00 178.87 1hfe h GLU 90 N 0.90 0.72 -0.70 1.05 4.81 -1.50 -2.65 114.58 117.21 1hfe h GLU 90 Ca 0.23 -0.50 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 1hfe h GLU 90 Cb 0.04 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1hfe h GLU 90 CO -0.04 1.12 0.22 0.28 -0.73 0.00 0.00 179.01 179.87 1hfe h VAL 91 N 0.44 1.26 -0.89 0.32 2.07 -0.78 -0.93 116.25 117.74 1hfe h VAL 91 Ca -0.01 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.66 1hfe h VAL 91 Cb 1.14 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1hfe h VAL 91 CO 0.11 0.35 0.57 -0.33 0.02 0.00 0.00 177.57 178.29 1hfe h GLU 92 N 1.04 1.09 -0.32 1.57 5.08 -1.05 -0.91 114.58 121.07 1hfe h GLU 92 Ca 0.23 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1hfe h GLU 92 Cb 0.30 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1hfe h GLU 92 CO -0.01 0.72 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.37 1hfe h LYS 93 N 1.12 0.66 -0.34 2.33 3.64 -1.07 -3.07 116.57 119.84 1hfe h LYS 93 Ca 0.35 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1hfe h LYS 93 Cb -0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1hfe h LYS 93 CO -0.11 0.86 0.02 0.87 -2.27 0.00 0.00 179.45 178.82 1hfe h LYS 94 N 0.43 0.52 0.00 1.90 1.79 -0.75 -1.01 116.57 119.44 1hfe h LYS 94 Ca 0.07 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1hfe h LYS 94 Cb 0.65 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1hfe h LYS 94 CO 0.04 0.53 0.00 -0.07 -1.08 0.00 0.00 179.45 178.87 1hfe h LEU 95 N 0.50 0.00 -0.55 2.94 3.38 -1.08 -2.05 115.31 118.45 1hfe h LEU 95 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1hfe h LEU 95 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1hfe h LEU 95 CO 0.01 0.00 -0.59 0.29 0.09 0.00 0.00 178.44 178.24 1hfe n LYS 96 N -2.57 0.70 -3.01 1.13 5.02 -0.39 -4.87 118.16 114.18 1hfe n LYS 96 Ca 0.00 -0.55 -0.42 0.00 -2.02 0.00 0.00 58.31 55.33 1hfe n LYS 96 Cb 0.18 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1hfe n LYS 96 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1hfe s ASP 97 N -2.67 6.55 0.58 4.39 -1.08 -0.77 -4.95 116.67 118.71 1hfe s ASP 97 Ca 0.16 0.41 0.27 0.00 -0.52 0.00 0.00 52.55 52.87 1hfe s ASP 97 Cb 0.18 -2.38 1.72 0.00 -1.46 0.00 0.00 42.92 40.98 1hfe s ASP 97 CO 0.66 -0.63 2.23 1.23 0.52 0.00 0.00 175.17 179.17 1hfe h GLY 98 N 9.50 0.00 0.87 2.66 0.00 -1.87 -1.54 103.07 112.69 1hfe h GLY 98 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1hfe h GLY 98 CO 0.87 0.00 -0.57 0.28 0.00 0.00 0.00 176.54 177.12 1hfe n LYS 99 N -3.96 0.01 -3.31 4.80 4.76 -1.26 -4.88 118.16 114.32 1hfe n LYS 99 Ca -0.03 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.03 1hfe n LYS 99 Cb 0.10 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.73 1hfe n LYS 99 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1hfe s VAL 100 N -3.01 5.14 -0.67 -0.18 1.01 -0.58 -4.88 120.40 117.24 1hfe s VAL 100 Ca 0.10 0.99 -0.15 0.00 0.00 0.00 0.00 61.98 62.93 1hfe s VAL 100 Cb 0.17 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.89 1hfe s VAL 100 CO 0.72 0.36 0.61 -0.54 0.00 0.00 0.00 175.10 176.25 1hfe s LYS 101 N 0.39 3.25 0.06 2.72 -0.14 0.55 -4.88 119.74 121.68 1hfe s LYS 101 Ca 0.27 -2.05 -0.30 0.00 -1.36 0.00 0.00 55.97 52.53 1hfe s LYS 101 Cb -0.16 -4.35 -0.05 0.00 -1.68 0.00 0.00 37.83 31.60 1hfe s LYS 101 CO 0.12 -1.31 1.02 0.00 -0.76 0.00 0.00 175.35 174.41 1hfe s ILE 103 N 0.62 3.41 -0.10 0.00 -1.09 0.35 -0.91 121.20 123.49 1hfe s ILE 103 Ca 0.51 -0.68 -0.25 0.00 -2.23 0.00 0.00 60.65 58.01 1hfe s ILE 103 Cb -0.24 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1hfe s ILE 103 CO 0.29 0.27 0.79 0.00 -1.23 0.00 0.00 174.94 175.06 1hfe s ALA 104 N 1.45 3.39 -0.60 9.38 0.00 -0.01 -0.45 121.76 134.91 1hfe s ALA 104 Ca 0.03 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.20 1hfe s ALA 104 Cb -0.16 -3.11 0.25 0.00 0.00 0.00 0.00 23.12 20.10 1hfe s ALA 104 CO -0.02 -0.34 0.70 -1.33 0.00 0.00 0.00 175.76 174.77 1hfe n MET 105 N 4.39 2.19 -2.25 0.00 2.81 0.11 -1.43 117.12 122.94 1hfe n MET 105 Ca 0.02 -4.42 -0.40 0.00 -1.81 0.00 0.00 57.70 51.08 1hfe n MET 105 Cb 0.50 -2.09 -0.03 0.00 -0.71 0.00 0.00 33.22 30.90 1hfe n MET 105 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1hfe s PRO 106 N -2.21 4.41 0.69 0.03 0.04 -1.26 -2.15 135.00 134.55 1hfe s PRO 106 Ca 0.38 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.36 1hfe s PRO 106 Cb 0.14 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.63 1hfe s PRO 106 CO -0.04 -0.08 1.06 0.00 0.04 0.00 0.00 177.00 177.99 1hfe s ALA 107 N -1.18 2.76 0.17 8.56 0.00 -0.09 -1.10 121.76 130.88 1hfe s ALA 107 Ca 0.48 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 1hfe s ALA 107 Cb -0.36 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 19.75 1hfe s ALA 107 CO 0.48 -1.14 1.68 -1.35 0.00 0.00 0.00 175.76 175.42 1hfe h PRO 108 N -0.66 0.05 0.00 0.00 0.11 -1.90 -2.57 132.00 127.03 1hfe h PRO 108 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1hfe h PRO 108 Cb 1.22 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1hfe h PRO 108 CO 0.60 0.03 -0.03 0.00 -0.21 0.00 0.00 178.00 178.39 1hfe h ALA 109 N 1.38 1.13 -0.64 -0.75 0.00 -1.89 -3.14 119.26 115.36 1hfe h ALA 109 Ca 0.20 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1hfe h ALA 109 Cb 0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1hfe h ALA 109 CO -0.38 0.04 0.41 0.28 0.00 0.00 0.00 179.25 179.59 1hfe h VAL 110 N 0.00 1.11 0.00 0.00 2.07 -1.79 -2.20 116.25 115.44 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 0.19 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1hfe h VAL 110 CO 0.00 0.15 0.00 -2.11 0.02 0.00 0.00 177.57 175.63 1hfe n ARG 111 N -4.68 0.04 -0.13 1.57 1.85 -1.18 -1.44 116.66 112.69 1hfe n ARG 111 Ca 0.06 0.32 0.11 0.00 -1.00 0.00 0.00 57.85 57.33 1hfe n ARG 111 Cb 0.06 -1.57 0.17 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.64 0.33 -0.28 2.89 4.01 -0.83 -0.84 117.16 120.80 1hfe n TYR 112 Ca 0.03 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1hfe n TYR 112 Cb 0.16 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.32 0.00 0.04 -0.72 0.00 -0.92 -3.67 120.51 116.56 1hfe n ALA 113 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.61 1hfe n ALA 113 Cb 0.56 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.34 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 0.41 -2.26 0.00 5.85 -1.47 -1.32 115.31 116.52 1hfe h LEU 114 Ca 0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1hfe h LEU 114 Cb 0.12 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1hfe h LEU 114 CO 0.00 0.50 -0.04 1.23 -0.34 0.00 0.00 178.44 179.79 1hfe h GLY 115 N 0.79 0.00 1.30 3.75 0.00 -1.85 -2.50 103.07 104.56 1hfe h GLY 115 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.48 1hfe h GLY 115 CO 0.01 0.00 0.33 -0.55 0.00 0.00 0.00 176.54 176.33 1hfe h ASP 116 N 0.00 0.37 0.56 0.19 5.19 -1.41 0.56 116.42 121.88 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 0.21 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1hfe h ASP 116 CO 0.01 0.24 0.00 0.00 -3.12 0.00 0.00 179.24 176.37 1hfe n ALA 117 N -2.51 2.44 -1.73 3.45 0.00 -0.94 -3.78 120.51 117.44 1hfe n ALA 117 Ca 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.42 1hfe n ALA 117 Cb 0.25 -1.47 0.18 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.29 0.03 -1.13 0.00 3.72 0.14 -4.98 117.46 113.95 1hfe n PHE 118 Ca 0.14 -1.37 -0.04 0.00 -0.05 0.00 0.00 57.45 56.12 1hfe n PHE 118 Cb 0.23 -0.24 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 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 -0.90 0.68 3.92 1.37 0.00 -1.20 -4.83 105.19 104.24 1hfe n GLY 119 Ca 0.17 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.81 3.53 0.49 1.61 -1.94 -0.90 -5.05 119.30 115.23 1hfe s MET 120 Ca 0.00 -0.30 -0.23 0.00 -1.71 0.00 0.00 55.69 53.45 1hfe s MET 120 Cb 0.00 -2.85 -0.08 0.00 2.01 0.00 0.00 34.83 33.92 1hfe s MET 120 CO 0.00 0.42 1.25 -2.30 -0.01 0.00 0.00 175.02 174.38 1hfe n PRO 121 N -0.50 1.69 -1.71 2.03 -0.02 -1.26 -4.23 135.00 131.01 1hfe n PRO 121 Ca -0.04 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1hfe n PRO 121 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1hfe n PRO 121 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1hfe n VAL 122 N -0.70 0.16 -0.14 -1.45 0.31 -1.26 -1.57 118.33 113.69 1hfe n VAL 122 Ca 0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1hfe n VAL 122 Cb 0.42 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 1hfe n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hfe n GLY 123 N 4.09 0.57 3.76 2.92 0.00 -1.24 -5.06 105.19 110.22 1hfe n GLY 123 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.95 5.69 -0.40 1.61 0.01 -0.61 -4.96 113.70 112.09 1hfe s SER 124 Ca 0.00 2.69 -0.20 0.00 1.31 0.00 0.00 55.95 59.75 1hfe s SER 124 Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1hfe s SER 124 CO 0.00 -1.28 0.60 -0.69 0.41 0.00 0.00 173.24 172.28 1hfe s VAL 125 N -1.32 4.90 -0.18 3.43 1.01 -1.26 -4.23 120.40 122.74 1hfe s VAL 125 Ca 0.66 0.20 0.16 0.00 0.00 0.00 0.00 61.98 63.00 1hfe s VAL 125 Cb -0.38 -4.12 0.42 0.00 0.00 0.00 0.00 36.38 32.30 1hfe s VAL 125 CO 0.47 -0.46 1.30 0.35 0.00 0.00 0.00 175.10 176.77 1hfe n THR 126 N 5.68 2.17 -0.24 3.92 -2.24 -0.02 -4.84 114.28 118.72 1hfe n THR 126 Ca -0.03 -2.34 -0.03 0.00 -2.27 0.00 0.00 64.05 59.38 1hfe n THR 126 Cb 0.48 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.88 0.15 -0.58 4.28 2.02 -1.92 0.15 112.91 117.90 1hfe h THR 127 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1hfe h THR 127 Cb 1.26 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1hfe h THR 127 CO 0.14 0.00 0.28 1.23 0.37 0.00 0.00 175.52 177.54 1hfe h GLY 128 N -0.11 0.89 1.10 2.16 0.00 -1.88 -1.37 103.07 103.85 1hfe h GLY 128 Ca 0.27 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1hfe h GLY 128 CO -0.75 0.42 0.12 0.50 0.00 0.00 0.00 176.54 176.83 1hfe h LYS 129 N 0.78 1.11 -0.21 4.80 1.57 -1.55 0.24 116.57 123.31 1hfe h LYS 129 Ca 0.20 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1hfe h LYS 129 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1hfe h LYS 129 CO -0.03 1.00 0.10 1.98 -0.57 0.00 0.00 179.45 181.93 1hfe h MET 130 N 1.04 0.20 -0.90 3.15 4.05 -0.39 0.21 114.93 122.28 1hfe h MET 130 Ca 0.21 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.65 1hfe h MET 130 Cb 0.42 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 1hfe h MET 130 CO 0.01 0.13 0.59 -0.07 0.23 0.00 0.00 176.91 177.80 1hfe h LEU 131 N 0.21 0.99 -0.56 3.39 3.38 -1.04 -0.62 115.31 121.05 1hfe h LEU 131 Ca 0.08 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1hfe h LEU 131 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1hfe h LEU 131 CO -0.06 0.68 -0.14 0.00 0.09 0.00 0.00 178.44 179.01 1hfe h ALA 132 N 1.37 0.76 -0.57 1.53 0.00 -0.66 -2.39 119.26 119.29 1hfe h ALA 132 Ca 0.36 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1hfe h ALA 132 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1hfe h ALA 132 CO -0.11 0.67 -0.06 0.00 0.00 0.00 0.00 179.25 179.75 1hfe h ALA 133 N 0.94 0.80 -0.79 0.00 0.00 -0.01 -1.70 119.26 118.50 1hfe h ALA 133 Ca 0.13 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1hfe h ALA 133 Cb 0.71 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1hfe h ALA 133 CO 0.05 0.67 0.30 -0.07 0.00 0.00 0.00 179.25 180.20 1hfe h LEU 134 N 0.94 1.11 -0.55 0.00 3.38 -1.00 -1.27 115.31 117.92 1hfe h LEU 134 Ca 0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1hfe h LEU 134 Cb 0.63 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1hfe h LEU 134 CO 0.04 0.99 0.22 -0.61 0.09 0.00 0.00 178.44 179.17 1hfe h GLN 135 N 1.16 0.82 0.00 1.13 4.15 -1.16 -2.27 115.11 118.94 1hfe h GLN 135 Ca 0.26 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1hfe h GLN 135 Cb 0.24 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1hfe h GLN 135 CO -0.02 0.71 0.00 0.87 -1.93 0.00 0.00 178.83 178.46 1hfe h LYS 136 N 0.75 0.00 0.00 1.69 1.79 -0.68 -1.84 116.57 118.28 1hfe h LYS 136 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1hfe h LYS 136 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1hfe h LYS 136 CO -0.02 0.00 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.00 1hfe h LEU 137 N 0.00 0.00 0.00 2.94 3.38 -0.68 -3.48 115.31 117.47 1hfe h LEU 137 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1hfe h LEU 137 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1hfe h LEU 137 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1hfe n GLY 138 N 1.20 0.97 3.73 0.83 0.00 -0.69 -4.94 105.19 106.29 1hfe n GLY 138 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 3.12 0.21 1.61 0.08 -1.04 -4.77 117.98 115.20 1hfe s PHE 139 Ca 0.00 0.91 -0.02 0.00 0.12 0.00 0.00 56.93 57.94 1hfe s PHE 139 Cb 0.00 -3.79 0.19 0.00 -0.57 0.00 0.00 43.02 38.85 1hfe s PHE 139 CO 0.00 -2.72 1.57 0.00 -0.10 0.00 0.00 175.22 173.97 1hfe h ALA 140 N 6.07 0.81 -2.55 5.36 0.00 -1.37 -3.42 119.26 124.16 1hfe h ALA 140 Ca -0.44 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 53.93 1hfe h ALA 140 Cb 1.21 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1hfe h ALA 140 CO 0.84 0.65 -0.32 -1.01 0.00 0.00 0.00 179.25 179.42 1hfe s HIS 141 N -4.19 0.07 -0.48 0.00 3.76 -1.15 -5.04 115.29 108.26 1hfe s HIS 141 Ca -0.07 -0.45 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 1hfe s HIS 141 Cb 0.12 0.00 0.13 0.00 1.11 0.00 0.00 32.58 33.94 1hfe s HIS 141 CO 0.83 -0.56 0.23 0.00 -0.85 0.00 0.00 174.74 174.38 1hfe s TRP 143 N -0.01 3.51 0.14 0.00 0.51 -0.52 -4.42 118.94 118.16 1hfe s TRP 143 Ca 0.16 -1.74 -0.34 0.00 -2.12 0.00 0.00 56.10 52.06 1hfe s TRP 143 Cb -0.25 -3.99 -0.14 0.00 -0.81 0.00 0.00 33.47 28.29 1hfe s TRP 143 CO -0.01 -1.17 1.59 -3.47 -0.51 0.00 0.00 176.95 173.37 1hfe n ASP 144 N 4.96 3.06 0.22 2.95 -0.08 -0.73 -4.12 116.55 122.80 1hfe n ASP 144 Ca 0.16 1.08 0.15 0.00 -1.51 0.00 0.00 54.79 54.67 1hfe n ASP 144 Cb 0.47 -1.41 0.66 0.00 2.34 0.00 0.00 41.12 43.18 1hfe n ASP 144 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1hfe h THR 145 N 3.71 0.00 -0.29 5.18 2.02 -1.32 -0.83 112.91 121.38 1hfe h THR 145 Ca -0.45 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 1hfe h THR 145 Cb 1.26 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1hfe h THR 145 CO 0.89 0.00 -0.20 -0.08 0.37 0.00 0.00 175.52 176.50 1hfe h GLU 146 N 0.00 0.53 -0.76 6.66 4.81 -1.89 0.70 114.58 124.62 1hfe h GLU 146 Ca 0.00 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1hfe h GLU 146 Cb 0.34 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1hfe h GLU 146 CO 0.00 0.70 0.32 0.35 -0.73 0.00 0.00 179.01 179.65 1hfe h PHE 147 N 0.47 1.15 0.00 0.92 3.04 -1.29 -2.12 116.94 119.10 1hfe h PHE 147 Ca 0.08 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1hfe h PHE 147 Cb 0.61 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1hfe h PHE 147 CO 0.02 0.86 0.00 1.79 -2.02 0.00 0.00 178.31 178.96 1hfe h THR 148 N 1.10 0.00 -0.45 4.41 1.35 -1.27 -2.15 112.91 115.90 1hfe h THR 148 Ca 0.26 -0.69 -0.08 0.00 -0.55 0.00 0.00 66.41 65.34 1hfe h THR 148 Cb 0.19 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1hfe h THR 148 CO -0.02 0.00 -0.06 0.00 -0.25 0.00 0.00 175.52 175.18 1hfe h ALA 149 N 2.14 1.06 -0.48 6.62 0.00 -0.20 0.41 119.26 128.80 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 0.76 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1hfe h ALA 149 CO 0.00 0.58 -0.12 -0.44 0.00 0.00 0.00 179.25 179.27 1hfe h ASP 150 N 0.71 0.95 -0.87 0.00 3.32 -1.22 -1.94 116.42 117.37 1hfe h ASP 150 Ca 0.13 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1hfe h ASP 150 Cb 0.52 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1hfe h ASP 150 CO 0.03 1.09 0.46 0.58 -1.72 0.00 0.00 179.24 179.68 1hfe h VAL 151 N 0.79 1.26 -0.29 -1.35 2.07 -0.98 -1.66 116.25 116.08 1hfe h VAL 151 Ca 0.12 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1hfe h VAL 151 Cb 0.68 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1hfe h VAL 151 CO 0.05 0.30 0.07 0.74 0.02 0.00 0.00 177.57 178.74 1hfe h THR 152 N 1.23 1.14 -0.12 2.57 2.02 0.14 -1.49 112.91 118.40 1hfe h THR 152 Ca 0.31 -0.49 -0.19 0.00 0.77 0.00 0.00 66.41 66.80 1hfe h THR 152 Cb 0.06 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1hfe h THR 152 CO -0.05 0.18 -0.72 0.40 0.37 0.00 0.00 175.52 175.70 1hfe h ILE 153 N 0.41 1.34 -0.68 3.11 1.08 -0.56 0.40 117.51 122.61 1hfe h ILE 153 Ca 0.10 -2.05 -0.03 0.00 -0.39 0.00 0.00 64.86 62.49 1hfe h ILE 153 Cb 0.17 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 1hfe h ILE 153 CO -0.00 0.63 0.29 -0.50 -0.69 0.00 0.00 178.15 177.87 1hfe h TRP 154 N 0.38 1.02 0.08 1.37 4.06 -0.46 0.31 115.95 122.71 1hfe h TRP 154 Ca -0.03 -0.07 -0.00 0.00 2.06 0.00 0.00 58.89 60.84 1hfe h TRP 154 Cb 1.31 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 1hfe h TRP 154 CO 0.06 0.78 -0.04 0.93 -3.56 0.00 0.00 178.44 176.61 1hfe h GLU 155 N 0.96 -0.10 -0.45 0.49 4.39 -1.12 -2.86 114.58 115.89 1hfe h GLU 155 Ca 0.23 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.81 1hfe h GLU 155 Cb 0.18 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1hfe h GLU 155 CO -0.02 0.46 -0.21 1.49 -1.16 0.00 0.00 179.01 179.56 1hfe h GLU 156 N -0.85 0.92 -0.64 2.33 4.81 -0.17 0.14 114.58 121.12 1hfe h GLU 156 Ca -0.01 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1hfe h GLU 156 Cb 0.60 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1hfe h GLU 156 CO 0.02 1.04 0.29 0.78 -0.73 0.00 0.00 179.01 180.41 1hfe h GLY 157 N 0.91 1.01 1.05 1.92 0.00 -0.51 0.14 103.07 107.59 1hfe h GLY 157 Ca 0.11 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1hfe h GLY 157 CO 0.06 0.49 -0.02 1.76 0.00 0.00 0.00 176.54 178.83 1hfe h SER 158 N 0.89 0.97 -0.53 0.19 0.02 -1.29 -1.20 113.55 112.60 1hfe h SER 158 Ca 0.22 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1hfe h SER 158 Cb 0.15 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1hfe h SER 158 CO -0.02 1.05 0.13 -0.08 -1.14 0.00 0.00 176.83 176.76 1hfe h GLU 159 N 0.86 0.84 -0.47 3.45 4.81 -0.73 -1.94 114.58 121.41 1hfe h GLU 159 Ca 0.15 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1hfe h GLU 159 Cb 0.57 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1hfe h GLU 159 CO 0.03 0.80 0.16 0.35 -0.73 0.00 0.00 179.01 179.63 1hfe h PHE 160 N 0.74 0.73 -0.95 0.92 3.57 -0.48 -2.43 116.94 119.04 1hfe h PHE 160 Ca 0.17 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1hfe h PHE 160 Cb 0.34 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1hfe h PHE 160 CO 0.02 0.64 0.62 0.28 -2.23 0.00 0.00 178.31 177.65 1hfe h VAL 161 N 0.61 1.21 -0.34 1.41 2.07 -0.99 -0.65 116.25 119.57 1hfe h VAL 161 Ca 0.15 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1hfe h VAL 161 Cb 0.24 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1hfe h VAL 161 CO -0.01 0.23 -0.01 -0.33 0.02 0.00 0.00 177.57 177.47 1hfe h GLU 162 N 1.24 0.53 -0.17 1.57 5.08 -0.92 -0.40 114.58 121.52 1hfe h GLU 162 Ca 0.36 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 1hfe h GLU 162 Cb -0.08 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.10 1hfe h GLU 162 CO -0.09 0.56 -0.61 0.00 -1.00 0.00 0.00 179.01 177.87 1hfe h ARG 163 N 0.51 0.71 -0.68 2.33 3.08 -0.90 0.23 114.38 119.65 1hfe h ARG 163 Ca 0.11 -0.54 -0.05 0.00 0.07 0.00 0.00 59.98 59.57 1hfe h ARG 163 Cb 0.34 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1hfe h ARG 163 CO 0.01 1.16 0.23 1.25 -1.07 0.00 0.00 179.97 181.55 1hfe h LEU 164 N 0.41 0.96 -1.36 3.04 5.85 -0.73 -2.29 115.31 121.19 1hfe h LEU 164 Ca -0.03 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1hfe h LEU 164 Cb 1.23 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1hfe h LEU 164 CO 0.13 0.89 0.00 0.35 -0.34 0.00 0.00 178.44 179.46 1hfe n THR 165 N -4.27 0.43 -1.25 1.05 -2.24 -0.19 -4.92 114.28 102.89 1hfe n THR 165 Ca 0.06 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1hfe n THR 165 Cb 0.21 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.57 -1.30 0.19 -0.78 5.02 -0.86 -4.84 118.16 116.16 1hfe n LYS 166 Ca 0.14 0.75 0.07 0.00 -2.02 0.00 0.00 58.31 57.24 1hfe n LYS 166 Cb 0.33 -4.90 0.34 0.00 -0.02 0.00 0.00 35.03 30.78 1hfe n LYS 166 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1hfe h LYS 167 N 0.11 0.00 -6.39 1.97 1.57 -0.86 -3.42 116.57 109.55 1hfe h LYS 167 Ca -0.18 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.93 1hfe h LYS 167 Cb 0.91 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.04 1hfe h LYS 167 CO 0.26 0.34 -0.73 0.45 -0.57 0.00 0.00 179.45 179.20 1hfe s SER 168 N -6.37 4.44 0.08 0.86 0.15 -0.39 -4.99 113.70 107.49 1hfe s SER 168 Ca 0.01 -0.24 0.25 0.00 0.70 0.00 0.00 55.95 56.66 1hfe s SER 168 Cb 0.10 -0.95 0.47 0.00 -1.71 0.00 0.00 66.02 63.94 1hfe s SER 168 CO 0.68 0.25 1.41 -0.67 1.20 0.00 0.00 173.24 176.11 1hfe n ASP 169 N 1.36 0.60 -4.69 5.45 2.03 -1.26 -4.62 116.55 115.43 1hfe n ASP 169 Ca -0.15 0.07 -0.44 0.00 0.52 0.00 0.00 54.79 54.80 1hfe n ASP 169 Cb 0.52 0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.99 1hfe n ASP 169 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1hfe n MET 170 N -1.92 2.13 -1.67 -0.67 2.81 -1.26 -4.96 117.12 111.59 1hfe n MET 170 Ca 0.04 0.76 -0.34 0.00 -1.81 0.00 0.00 57.70 56.35 1hfe n MET 170 Cb 0.40 -2.40 0.06 0.00 -0.71 0.00 0.00 33.22 30.58 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 -0.89 2.55 0.09 0.03 0.04 -1.26 -4.87 135.00 130.69 1hfe s PRO 171 Ca 0.64 1.61 0.06 0.00 0.04 0.00 0.00 61.00 63.35 1hfe s PRO 171 Cb -0.61 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1hfe s PRO 171 CO 0.54 -1.48 -0.08 -0.51 0.04 0.00 0.00 177.00 175.50 1hfe s LEU 172 N -4.85 3.13 0.41 -3.56 1.43 -1.26 -4.06 118.68 109.92 1hfe s LEU 172 Ca 0.72 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 53.24 1hfe s LEU 172 Cb -0.25 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 1hfe s LEU 172 CO 0.41 0.19 1.14 -2.16 0.23 0.00 0.00 176.35 176.16 1hfe s PRO 173 N -2.15 4.04 0.36 1.29 0.04 -1.25 -5.05 135.00 132.29 1hfe s PRO 173 Ca 0.22 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 1hfe s PRO 173 Cb -0.11 -2.61 -0.10 0.00 0.04 0.00 0.00 34.50 31.71 1hfe s PRO 173 CO 0.14 -0.31 0.94 -1.14 0.04 0.00 0.00 177.00 176.68 1hfe s GLN 174 N -2.39 4.45 -0.03 4.56 0.74 -0.27 -4.74 119.66 121.98 1hfe s GLN 174 Ca 0.58 1.25 0.04 0.00 0.05 0.00 0.00 55.36 57.28 1hfe s GLN 174 Cb -0.28 -2.57 -0.03 0.00 1.10 0.00 0.00 33.01 31.23 1hfe s GLN 174 CO 0.35 0.17 -0.14 -0.06 -0.55 0.00 0.00 175.29 175.06 1hfe s PHE 175 N -1.83 2.71 0.74 1.67 0.08 0.34 -0.87 117.98 120.82 1hfe s PHE 175 Ca 0.55 -0.15 -0.14 0.00 0.12 0.00 0.00 56.93 57.30 1hfe s PHE 175 Cb -0.15 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1hfe s PHE 175 CO 0.20 0.22 1.15 0.95 -0.10 0.00 0.00 175.22 177.63 1hfe s THR 176 N -0.79 2.77 0.00 0.64 -4.23 -0.77 -1.11 115.64 112.15 1hfe s THR 176 Ca 0.13 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1hfe s THR 176 Cb -0.11 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1hfe s THR 176 CO 0.02 -0.25 0.59 -1.54 -0.54 0.00 0.00 174.62 172.90 1hfe n SER 177 N -2.93 0.96 0.20 3.99 3.41 -1.26 -4.66 113.62 113.32 1hfe n SER 177 Ca 0.11 -1.35 0.08 0.00 -0.26 0.00 0.00 58.87 57.46 1hfe n SER 177 Cb 0.52 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.81 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 8.73 0.00 -0.06 0.00 0.13 -1.88 0.19 132.00 139.10 1hfe h PRO 180 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1hfe h PRO 180 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1hfe h PRO 180 CO 0.97 0.00 -0.05 0.78 -0.23 0.00 0.00 178.00 179.47 1hfe h GLY 181 N 1.38 0.16 1.46 1.56 0.00 -1.88 -1.82 103.07 103.93 1hfe h GLY 181 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1hfe h GLY 181 CO 0.00 0.14 0.06 -0.25 0.00 0.00 0.00 176.54 176.48 1hfe h TRP 182 N -0.27 0.70 0.30 5.60 -0.00 -1.68 -0.27 115.95 120.32 1hfe h TRP 182 Ca 0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 1hfe h TRP 182 Cb 0.53 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.48 1hfe h TRP 182 CO 0.08 0.63 -0.19 1.96 -0.00 0.00 0.00 178.44 180.92 1hfe h GLN 183 N 0.65 -0.46 -0.51 2.65 4.20 -0.49 0.12 115.11 121.26 1hfe h GLN 183 Ca 0.14 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 1hfe h GLN 183 Cb 0.32 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1hfe h GLN 183 CO 0.01 -0.31 0.10 -0.22 -0.67 0.00 0.00 178.83 177.74 1hfe h LYS 184 N -0.48 0.79 0.29 1.46 3.64 -1.14 -0.54 116.57 120.59 1hfe h LYS 184 Ca -0.03 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1hfe h LYS 184 Cb 0.40 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1hfe h LYS 184 CO 0.02 0.74 -0.14 -0.92 -2.27 0.00 0.00 179.45 176.88 1hfe h TYR 185 N 0.76 -0.36 -0.20 1.91 5.03 -0.63 -1.00 116.97 122.48 1hfe h TYR 185 Ca 0.16 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1hfe h TYR 185 Cb 0.32 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1hfe h TYR 185 CO 0.02 -0.19 0.07 0.00 -1.32 0.00 0.00 178.16 176.74 1hfe h ALA 186 N 0.26 0.26 0.00 1.82 0.00 -0.53 0.21 119.26 121.27 1hfe h ALA 186 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hfe h ALA 186 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1hfe h ALA 186 CO 0.07 -0.14 -0.05 0.93 0.00 0.00 0.00 179.25 180.05 1hfe h GLU 187 N 0.16 0.00 0.03 0.00 5.08 -1.07 0.80 114.58 119.58 1hfe h GLU 187 Ca 0.07 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.13 1hfe h GLU 187 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1hfe h GLU 187 CO -0.00 0.05 -1.65 2.41 -1.00 0.00 0.00 179.01 178.83 1hfe n THR 188 N -3.99 1.60 -0.04 1.13 -1.04 -0.39 -4.36 114.28 107.19 1hfe n THR 188 Ca -0.03 -0.25 0.02 0.00 -2.04 0.00 0.00 64.05 61.76 1hfe n THR 188 Cb 0.14 -1.92 -0.16 0.00 -1.82 0.00 0.00 70.33 66.57 1hfe n THR 188 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1hfe n TYR 189 N -4.13 0.06 -2.83 -1.42 4.01 0.70 -4.66 117.16 108.89 1hfe n TYR 189 Ca -0.35 0.02 -0.15 0.00 -0.16 0.00 0.00 57.90 57.26 1hfe n TYR 189 Cb 0.81 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 -2.49 1.30 0.22 -0.72 4.01 0.23 -4.93 117.16 114.77 1hfe n TYR 190 Ca -0.16 -3.24 0.13 0.00 -0.16 0.00 0.00 57.90 54.47 1hfe n TYR 190 Cb 0.82 -0.37 0.74 0.00 -0.31 0.00 0.00 39.34 40.22 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 2.95 0.00 0.00 -0.72 0.13 -1.63 0.90 132.00 133.63 1hfe h PRO 191 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1hfe h PRO 191 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1hfe h PRO 191 CO 0.56 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.38 1hfe h GLU 192 N 0.00 0.00 -0.02 0.86 9.09 -1.92 -2.08 114.58 120.52 1hfe h GLU 192 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 1hfe h GLU 192 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1hfe h GLU 192 CO -0.00 0.00 -0.01 1.28 0.05 0.00 0.00 179.01 180.33 1hfe n LEU 193 N -2.69 1.95 -0.09 3.06 4.77 0.31 -4.46 117.00 119.84 1hfe n LEU 193 Ca 0.01 -0.65 0.14 0.00 -0.03 0.00 0.00 56.01 55.48 1hfe n LEU 193 Cb 0.24 -0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.86 1hfe n LEU 193 CO 0.23 0.33 1.19 -0.07 -1.33 0.00 0.00 177.39 177.73 1hfe h LEU 194 N 3.05 0.32 -0.84 2.23 3.38 -1.42 -1.13 115.31 120.89 1hfe h LEU 194 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1hfe h LEU 194 Cb 0.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1hfe h LEU 194 CO 0.00 0.18 0.00 -0.81 0.09 0.00 0.00 178.44 177.90 1hfe n PRO 195 N -4.46 0.12 0.18 1.13 -0.04 -1.26 -0.79 135.00 129.88 1hfe n PRO 195 Ca 0.11 0.52 0.07 0.00 -0.04 0.00 0.00 63.50 64.16 1hfe n PRO 195 Cb 0.45 -1.81 0.15 0.00 -0.04 0.00 0.00 33.50 32.24 1hfe n PRO 195 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1hfe h HIS 196 N 0.00 0.00 -3.96 0.54 3.86 -1.48 -3.39 115.15 110.72 1hfe h HIS 196 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1hfe h HIS 196 Cb 0.12 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.70 1hfe h HIS 196 CO 0.00 0.27 0.74 -0.06 0.86 0.00 0.00 177.93 179.74 1hfe s PHE 197 N -3.15 2.58 0.50 2.45 0.40 0.03 -0.50 117.98 120.29 1hfe s PHE 197 Ca 0.05 1.23 -0.23 0.00 -0.60 0.00 0.00 56.93 57.38 1hfe s PHE 197 Cb 0.07 -3.95 -0.06 0.00 0.51 0.00 0.00 43.02 39.59 1hfe s PHE 197 CO 0.70 -2.86 1.31 0.45 0.70 0.00 0.00 175.22 175.51 1hfe s SER 198 N -0.32 5.65 0.00 1.36 0.15 -0.27 -4.79 113.70 115.47 1hfe s SER 198 Ca 0.56 2.64 0.30 0.00 0.70 0.00 0.00 55.95 60.14 1hfe s SER 198 Cb -0.45 -2.63 1.47 0.00 -1.71 0.00 0.00 66.02 62.70 1hfe s SER 198 CO 0.59 -1.30 2.01 0.35 1.20 0.00 0.00 173.24 176.09 1hfe n THR 199 N -0.72 0.00 -2.21 6.45 -2.24 -1.26 -4.75 114.28 109.55 1hfe n THR 199 Ca 0.09 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 1hfe n THR 199 Cb 0.45 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.61 1.66 0.86 0.00 1.02 -1.26 -4.80 119.74 114.61 1hfe s LYS 201 Ca 0.63 0.16 -0.12 0.00 0.02 0.00 0.00 55.97 56.66 1hfe s LYS 201 Cb -0.31 -1.91 0.11 0.00 -0.52 0.00 0.00 37.83 35.20 1hfe s LYS 201 CO 0.38 -1.82 1.10 -1.54 -0.92 0.00 0.00 175.35 172.55 1hfe s SER 202 N -4.40 3.93 0.30 2.83 1.04 -1.26 -4.78 113.70 111.35 1hfe s SER 202 Ca 0.63 1.26 0.03 0.00 0.48 0.00 0.00 55.95 58.35 1hfe s SER 202 Cb -0.12 -1.94 0.61 0.00 0.10 0.00 0.00 66.02 64.66 1hfe s SER 202 CO 0.50 -2.32 1.84 -0.65 0.98 0.00 0.00 173.24 173.60 1hfe h PRO 203 N -1.33 0.91 -0.19 4.02 0.11 -1.88 -1.04 132.00 132.61 1hfe h PRO 203 Ca -0.49 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 1hfe h PRO 203 Cb 1.29 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1hfe h PRO 203 CO 0.59 0.60 -0.36 0.97 -0.21 0.00 0.00 178.00 179.59 1hfe h ILE 204 N 0.94 1.29 -0.69 4.15 6.09 -1.91 0.12 117.51 127.50 1hfe h ILE 204 Ca 0.49 -1.45 -0.04 0.00 -1.37 0.00 0.00 64.86 62.49 1hfe h ILE 204 Cb 0.54 1.54 -0.03 0.00 0.47 0.00 0.00 36.82 39.34 1hfe h ILE 204 CO -0.26 0.45 0.29 1.23 -3.07 0.00 0.00 178.15 176.79 1hfe h GLY 205 N 1.10 1.10 1.42 8.18 0.00 -1.58 -1.37 103.07 111.91 1hfe h GLY 205 Ca 0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 1hfe h GLY 205 CO 0.06 0.55 -0.39 -0.33 0.00 0.00 0.00 176.54 176.43 1hfe h MET 206 N 0.98 0.64 -0.26 4.80 2.86 -0.81 -2.93 114.93 120.22 1hfe h MET 206 Ca 0.23 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1hfe h MET 206 Cb 0.19 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1hfe h MET 206 CO -0.02 0.93 0.10 -0.97 1.06 0.00 0.00 176.91 178.00 1hfe h ASN 207 N 0.53 0.36 -0.81 1.22 -0.73 -0.37 0.63 115.58 116.40 1hfe h ASN 207 Ca 0.05 -0.17 -0.00 0.00 1.87 0.00 0.00 56.30 58.04 1hfe h ASN 207 Cb 0.91 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 39.37 1hfe h ASN 207 CO 0.08 0.43 0.50 1.23 -0.37 0.00 0.00 177.43 179.30 1hfe h GLY 208 N 0.26 1.17 0.76 1.57 0.00 -1.27 0.82 103.07 106.38 1hfe h GLY 208 Ca 0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1hfe h GLY 208 CO -0.01 0.46 -0.02 0.00 0.00 0.00 0.00 176.54 176.98 1hfe h ALA 209 N 1.27 0.18 -0.40 3.60 0.00 -1.31 -2.94 119.26 119.65 1hfe h ALA 209 Ca 0.29 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1hfe h ALA 209 Cb -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hfe h ALA 209 CO -0.06 -0.09 -0.02 -0.07 0.00 0.00 0.00 179.25 179.01 1hfe h LEU 210 N -0.04 0.62 -1.01 0.00 3.38 -0.67 -2.73 115.31 114.85 1hfe h LEU 210 Ca 0.04 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1hfe h LEU 210 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1hfe h LEU 210 CO 0.01 0.70 0.17 0.00 0.09 0.00 0.00 178.44 179.41 1hfe h ALA 211 N 1.37 1.20 -0.08 1.53 0.00 -0.76 0.54 119.26 123.07 1hfe h ALA 211 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hfe h ALA 211 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hfe h ALA 211 CO 0.02 0.55 0.00 1.63 0.00 0.00 0.00 179.25 181.45 1hfe n LYS 212 N -4.28 1.68 0.00 0.00 5.02 -1.09 -1.32 118.16 118.17 1hfe n LYS 212 Ca 0.04 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.33 1hfe n LYS 212 Cb 0.21 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.22 0.00 0.13 -0.18 -2.24 -1.02 -4.65 114.28 106.54 1hfe n THR 213 Ca 0.18 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1hfe n THR 213 Cb 0.34 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.29 -0.04 4.78 3.20 -1.41 0.04 116.97 123.26 1hfe h TYR 214 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1hfe h TYR 214 Cb 0.00 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1hfe h TYR 214 CO 0.00 -0.18 0.02 0.78 -1.64 0.00 0.00 178.16 177.15 1hfe h GLY 215 N -0.29 0.05 1.11 1.82 0.00 -1.01 -0.36 103.07 104.39 1hfe h GLY 215 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1hfe h GLY 215 CO 0.02 0.02 0.55 0.00 0.00 0.00 0.00 176.54 177.13 1hfe h ALA 216 N 1.00 1.31 0.01 3.60 0.00 -1.08 -1.30 119.26 122.79 1hfe h ALA 216 Ca 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hfe h ALA 216 Cb 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1hfe h ALA 216 CO -0.00 0.61 -0.00 1.49 0.00 0.00 0.00 179.25 181.35 1hfe h GLU 217 N 1.21 -0.01 -0.31 0.00 4.81 -0.68 0.16 114.58 119.76 1hfe h GLU 217 Ca 0.32 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1hfe h GLU 217 Cb -0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1hfe h GLU 217 CO -0.06 0.32 0.08 0.00 -0.73 0.00 0.00 179.01 178.62 1hfe h ARG 218 N -0.34 0.45 -0.00 1.92 2.47 -0.85 -2.54 114.38 115.49 1hfe h ARG 218 Ca -0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1hfe h ARG 218 Cb 0.34 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1hfe h ARG 218 CO 0.00 0.42 -0.40 -1.33 0.56 0.00 0.00 179.97 179.22 1hfe n MET 219 N -4.36 0.51 -3.15 0.04 2.81 -0.51 -4.95 117.12 107.50 1hfe n MET 219 Ca 0.01 -0.32 -0.20 0.00 -1.81 0.00 0.00 57.70 55.39 1hfe n MET 219 Cb 0.17 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.24 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 -0.97 -5.43 -3.57 0.03 5.02 0.31 -5.01 118.16 108.54 1hfe n LYS 220 Ca 0.09 0.75 -0.29 0.00 -2.02 0.00 0.00 58.31 56.84 1hfe n LYS 220 Cb 0.35 -5.40 -0.04 0.00 -0.02 0.00 0.00 35.03 29.93 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 -3.18 3.47 -0.18 2.13 2.02 0.18 -5.03 117.35 116.77 1hfe s TYR 221 Ca 0.37 0.52 -0.29 0.00 -0.37 0.00 0.00 57.07 57.30 1hfe s TYR 221 Cb -0.16 -1.99 -0.00 0.00 -0.40 0.00 0.00 41.96 39.40 1hfe s TYR 221 CO 0.46 0.33 1.10 0.34 -1.57 0.00 0.00 175.55 176.21 1hfe s ASP 222 N -2.89 7.09 0.56 2.29 2.15 -1.26 -4.59 116.67 120.01 1hfe s ASP 222 Ca 0.41 1.52 0.29 0.00 0.43 0.00 0.00 52.55 55.20 1hfe s ASP 222 Cb -0.11 -2.54 1.47 0.00 -0.30 0.00 0.00 42.92 41.43 1hfe s ASP 222 CO 0.27 -0.64 1.91 -0.65 -0.17 0.00 0.00 175.17 175.89 1hfe h PRO 223 N 7.56 0.00 0.00 4.34 0.11 -1.92 0.21 132.00 142.30 1hfe h PRO 223 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 1hfe h PRO 223 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1hfe h PRO 223 CO 0.95 0.00 -0.07 0.87 -0.21 0.00 0.00 178.00 179.53 1hfe h LYS 224 N 0.00 0.00 -0.13 1.05 1.57 -1.94 -2.35 116.57 114.78 1hfe h LYS 224 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1hfe h LYS 224 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1hfe h LYS 224 CO -0.00 0.07 0.00 1.04 -0.57 0.00 0.00 179.45 179.99 1hfe n GLN 225 N -3.30 1.91 -3.25 3.15 1.13 0.72 -4.85 117.38 112.90 1hfe n GLN 225 Ca -0.01 -1.35 -0.40 0.00 -1.94 0.00 0.00 57.00 53.30 1hfe n GLN 225 Cb 0.27 -1.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.09 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 -1.85 5.08 -0.32 5.09 1.01 -0.89 -0.33 120.40 128.20 1hfe s VAL 226 Ca 0.34 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 1hfe s VAL 226 Cb 0.20 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1hfe s VAL 226 CO 0.30 0.10 0.05 -0.47 0.00 0.00 0.00 175.10 175.08 1hfe s TYR 227 N 2.20 3.27 -0.14 5.22 5.04 -0.47 -4.96 117.35 127.50 1hfe s TYR 227 Ca 0.21 -1.71 -0.20 0.00 -2.44 0.00 0.00 57.07 52.93 1hfe s TYR 227 Cb -0.16 -2.22 -0.03 0.00 0.35 0.00 0.00 41.96 39.90 1hfe s TYR 227 CO 0.09 -0.78 0.57 0.95 -1.34 0.00 0.00 175.55 175.05 1hfe s THR 228 N 1.31 5.10 -0.32 4.34 -4.23 -1.26 -0.49 115.64 120.08 1hfe s THR 228 Ca -0.03 1.12 0.03 0.00 -1.18 0.00 0.00 61.69 61.63 1hfe s THR 228 Cb -0.20 -3.90 0.09 0.00 1.34 0.00 0.00 72.50 69.83 1hfe s THR 228 CO 0.00 0.22 0.03 -0.69 -0.54 0.00 0.00 174.62 173.65 1hfe s VAL 229 N 1.19 2.15 0.13 2.29 1.01 0.40 -1.59 120.40 125.98 1hfe s VAL 229 Ca 0.29 -2.16 -0.31 0.00 0.00 0.00 0.00 61.98 59.81 1hfe s VAL 229 Cb -0.16 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 1hfe s VAL 229 CO 0.12 -0.51 1.28 -0.55 0.00 0.00 0.00 175.10 175.44 1hfe s SER 230 N 0.99 6.96 -0.25 3.32 0.15 0.34 -0.71 113.70 124.50 1hfe s SER 230 Ca 0.08 2.24 0.02 0.00 0.70 0.00 0.00 55.95 58.99 1hfe s SER 230 Cb -0.19 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 1hfe s SER 230 CO -0.09 -0.52 -0.06 -0.63 1.20 0.00 0.00 173.24 173.14 1hfe s ILE 231 N 0.63 1.78 0.20 6.45 1.01 -0.91 -0.25 121.20 130.10 1hfe s ILE 231 Ca 0.59 -1.43 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1hfe s ILE 231 Cb -0.34 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1hfe s ILE 231 CO 0.33 -0.12 -0.16 -0.04 0.00 0.00 0.00 174.94 174.96 1hfe s MET 232 N 1.27 1.33 -0.26 2.79 -1.94 0.33 -0.91 119.30 121.91 1hfe s MET 232 Ca -0.06 -1.54 0.03 0.00 -1.71 0.00 0.00 55.69 52.41 1hfe s MET 232 Cb -0.19 -1.20 0.41 0.00 2.01 0.00 0.00 34.83 35.86 1hfe s MET 232 CO -0.06 0.21 1.53 -0.35 -0.01 0.00 0.00 175.02 176.34 1hfe n PRO 233 N -0.20 1.91 -3.77 2.03 -0.04 -1.26 -1.13 135.00 132.55 1hfe n PRO 233 Ca -0.09 -1.82 -0.13 0.00 -0.04 0.00 0.00 63.50 61.42 1hfe n PRO 233 Cb 0.59 -1.74 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 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 4.53 1.18 0.00 0.00 2.04 -1.81 -3.33 117.51 120.12 1hfe h ILE 235 Ca -0.27 -2.81 -0.00 0.00 1.00 0.00 0.00 64.86 62.78 1hfe h ILE 235 Cb 1.19 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1hfe h ILE 235 CO 0.33 0.82 -0.02 0.00 0.00 0.00 0.00 178.15 179.28 1hfe h ALA 236 N 0.49 1.57 0.00 1.87 0.00 -1.62 0.13 119.26 121.70 1hfe h ALA 236 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1hfe h ALA 236 Cb 2.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1hfe h ALA 236 CO 0.17 0.02 -0.04 0.87 0.00 0.00 0.00 179.25 180.27 1hfe h LYS 237 N 0.00 0.00 -0.32 0.00 1.79 -1.88 -0.57 116.57 115.59 1hfe h LYS 237 Ca -0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 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 0.04 -0.39 0.87 -1.08 0.00 0.00 179.45 178.89 1hfe h LYS 238 N 0.00 0.76 -0.32 3.15 1.57 -1.17 -1.36 116.57 119.20 1hfe h LYS 238 Ca -0.00 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.30 1hfe h LYS 238 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1hfe h LYS 238 CO 0.01 1.02 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.85 1hfe h TYR 239 N 0.63 0.75 -0.43 -1.35 5.03 -1.30 -3.24 116.97 117.05 1hfe h TYR 239 Ca 0.05 -0.18 -0.00 0.00 2.58 0.00 0.00 58.73 61.18 1hfe h TYR 239 Cb 0.94 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.02 1hfe h TYR 239 CO 0.05 0.86 0.27 1.49 -1.32 0.00 0.00 178.16 179.51 1hfe h GLU 240 N 0.42 0.58 -0.16 1.82 4.81 -0.92 -2.39 114.58 118.73 1hfe h GLU 240 Ca 0.07 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1hfe h GLU 240 Cb 0.65 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1hfe h GLU 240 CO 0.04 0.42 0.14 0.78 -0.73 0.00 0.00 179.01 179.66 1hfe h GLY 241 N 0.57 0.00 0.49 1.92 0.00 -1.28 -1.44 103.07 103.34 1hfe h GLY 241 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1hfe h GLY 241 CO -0.03 0.00 -0.19 1.04 0.00 0.00 0.00 176.54 177.35 1hfe n LEU 242 N -4.18 0.81 -4.67 3.11 4.77 -0.91 -4.61 117.00 111.33 1hfe n LEU 242 Ca 0.01 -0.16 -0.49 0.00 -0.03 0.00 0.00 56.01 55.35 1hfe n LEU 242 Cb 0.27 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1hfe n LEU 242 CO 0.32 0.15 1.27 0.54 -1.33 0.00 0.00 177.39 178.34 1hfe n ARG 243 N -0.76 1.94 -0.34 3.23 1.74 -0.54 -4.57 116.66 117.36 1hfe n ARG 243 Ca 0.13 0.71 0.18 0.00 -0.77 0.00 0.00 57.85 58.09 1hfe n ARG 243 Cb 0.32 -2.48 0.39 0.00 -1.02 0.00 0.00 32.46 29.67 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 7.04 0.57 0.00 5.56 0.11 -1.90 -2.11 132.00 141.26 1hfe h PRO 244 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hfe h PRO 244 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1hfe h PRO 244 CO 0.90 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 178.22 1hfe n GLU 245 N -4.84 0.10 -2.06 1.05 0.00 -1.26 -4.23 120.64 109.39 1hfe n GLU 245 Ca 0.26 0.31 -0.42 0.00 0.00 0.00 0.00 57.16 57.31 1hfe n GLU 245 Cb 0.74 -1.68 0.00 0.00 0.00 0.00 0.00 31.44 30.50 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 -1.87 6.65 -2.71 -1.84 4.77 -0.79 -4.23 117.00 116.97 1hfe n LEU 246 Ca 0.03 -4.36 -0.01 0.00 -0.03 0.00 0.00 56.01 51.65 1hfe n LEU 246 Cb 0.22 -1.58 0.07 0.00 -2.33 0.00 0.00 43.42 39.80 1hfe n LEU 246 CO 0.18 1.18 0.21 2.29 -1.33 0.00 0.00 177.39 179.92 1hfe n LYS 247 N 5.21 1.53 0.21 3.23 2.85 -1.26 -1.80 118.16 128.13 1hfe n LYS 247 Ca 0.46 -2.66 0.15 0.00 -1.05 0.00 0.00 58.31 55.20 1hfe n LYS 247 Cb 0.38 -0.85 0.55 0.00 -0.65 0.00 0.00 35.03 34.46 1hfe n LYS 247 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1hfe h SER 248 N 1.99 0.00 0.97 -5.58 4.64 -1.74 -1.98 113.55 111.85 1hfe h SER 248 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1hfe h SER 248 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1hfe h SER 248 CO 0.05 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.47 1hfe n SER 249 N -2.72 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 113.16 1hfe n SER 249 Ca 0.02 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1hfe n SER 249 Cb 0.30 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 1.45 0.71 3.66 5.00 0.00 -0.75 -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 -0.54 2.07 0.06 1.61 0.00 -1.23 -5.11 119.30 116.17 1hfe s MET 251 Ca 0.00 -1.57 -0.35 0.00 0.00 0.00 0.00 55.69 53.76 1hfe s MET 251 Cb 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 34.83 35.23 1hfe s MET 251 CO 0.00 -0.92 1.58 0.54 0.00 0.00 0.00 175.02 176.22 1hfe n ARG 252 N -0.54 1.80 0.04 3.16 5.12 -1.26 -4.23 116.66 120.74 1hfe n ARG 252 Ca -0.04 0.65 -0.15 0.00 -1.93 0.00 0.00 57.85 56.38 1hfe n ARG 252 Cb 0.61 -2.40 -0.05 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 6.22 0.71 -3.77 0.55 3.32 -1.68 -3.41 116.42 118.37 1hfe h ASP 253 Ca -0.46 -0.53 -0.67 0.00 0.02 0.00 0.00 57.03 55.38 1hfe h ASP 253 Cb 1.28 -0.22 -0.36 0.00 0.22 0.00 0.00 39.33 40.26 1hfe h ASP 253 CO 0.87 1.32 -0.73 -0.63 -1.72 0.00 0.00 179.24 178.35 1hfe s ILE 254 N -3.45 2.54 0.10 0.35 1.01 -1.26 -4.39 121.20 116.09 1hfe s ILE 254 Ca -0.08 -1.75 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 1hfe s ILE 254 Cb 0.09 -2.58 -0.20 0.00 0.01 0.00 0.00 42.46 39.77 1hfe s ILE 254 CO 0.88 -0.23 1.25 0.44 0.00 0.00 0.00 174.94 177.29 1hfe h ASP 255 N 7.83 0.84 -5.14 3.58 3.32 -1.65 -3.45 116.42 121.76 1hfe h ASP 255 Ca -0.16 -0.64 -0.11 0.00 0.02 0.00 0.00 57.03 56.15 1hfe h ASP 255 Cb 1.04 -0.26 -0.16 0.00 0.22 0.00 0.00 39.33 40.18 1hfe h ASP 255 CO 0.52 1.44 -0.46 0.00 -1.72 0.00 0.00 179.24 179.01 1hfe s ALA 256 N -3.43 -0.09 -0.04 3.45 0.00 -0.62 -5.00 121.76 116.03 1hfe s ALA 256 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1hfe s ALA 256 Cb 0.08 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.58 1hfe s ALA 256 CO 0.91 -0.41 -0.01 0.99 0.00 0.00 0.00 175.76 177.23 1hfe s THR 257 N -3.34 0.31 0.08 0.00 2.01 -1.26 -0.50 115.64 112.94 1hfe s THR 257 Ca 0.01 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.14 1hfe s THR 257 Cb 0.03 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1hfe s THR 257 CO -0.08 0.19 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.03 1hfe s LEU 258 N 1.15 2.36 0.60 4.42 1.43 0.65 -4.39 118.68 124.90 1hfe s LEU 258 Ca -0.08 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1hfe s LEU 258 Cb -0.14 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.78 1hfe s LEU 258 CO -0.02 0.22 0.87 0.42 0.23 0.00 0.00 176.35 178.08 1hfe s THR 259 N -0.95 2.75 0.29 5.49 -4.23 -1.26 -0.51 115.64 117.22 1hfe s THR 259 Ca 0.14 -0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1hfe s THR 259 Cb -0.10 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 70.92 1hfe s THR 259 CO 0.05 -0.08 1.92 0.74 -0.54 0.00 0.00 174.62 176.71 1hfe h THR 260 N -0.18 1.12 -0.65 3.99 2.02 -0.84 -1.31 112.91 117.06 1hfe h THR 260 Ca -0.44 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1hfe h THR 260 Cb 1.30 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1hfe h THR 260 CO 0.57 0.20 0.41 0.03 0.37 0.00 0.00 175.52 177.10 1hfe h ARG 261 N 1.10 0.87 -0.27 6.66 3.08 -1.81 -1.16 114.38 122.85 1hfe h ARG 261 Ca 0.38 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.26 1hfe h ARG 261 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1hfe h ARG 261 CO -0.13 0.60 -0.24 0.93 -1.07 0.00 0.00 179.97 180.06 1hfe h GLU 262 N 0.88 0.51 -0.28 0.04 5.08 -1.61 -1.37 114.58 117.82 1hfe h GLU 262 Ca 0.23 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1hfe h GLU 262 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1hfe h GLU 262 CO -0.05 0.71 0.07 1.25 -1.00 0.00 0.00 179.01 180.00 1hfe h LEU 263 N 0.45 0.43 -0.68 1.33 5.85 -0.88 -1.55 115.31 120.26 1hfe h LEU 263 Ca 0.07 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1hfe h LEU 263 Cb 0.66 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1hfe h LEU 263 CO 0.05 0.54 0.41 0.00 -0.34 0.00 0.00 178.44 179.09 1hfe h ALA 264 N 0.90 0.90 -0.47 1.25 0.00 -0.93 -0.55 119.26 120.36 1hfe h ALA 264 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1hfe h ALA 264 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1hfe h ALA 264 CO 0.00 0.14 0.28 -0.92 0.00 0.00 0.00 179.25 178.75 1hfe h TYR 265 N 0.78 0.53 -0.72 0.00 3.20 -0.99 -0.83 116.97 118.93 1hfe h TYR 265 Ca 0.28 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1hfe h TYR 265 Cb 0.09 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1hfe h TYR 265 CO -0.06 0.30 0.31 0.52 -1.64 0.00 0.00 178.16 177.60 1hfe h MET 266 N 0.56 1.06 -0.52 1.82 2.86 -0.39 0.18 114.93 120.50 1hfe h MET 266 Ca 0.19 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1hfe h MET 266 Cb 0.02 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1hfe h MET 266 CO -0.09 0.86 0.29 0.82 1.06 0.00 0.00 176.91 179.85 1hfe h ILE 267 N 1.02 1.17 -0.25 -1.22 2.04 -0.74 -1.37 117.51 118.17 1hfe h ILE 267 Ca 0.24 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1hfe h ILE 267 Cb 0.17 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1hfe h ILE 267 CO -0.02 0.18 -0.02 0.11 0.00 0.00 0.00 178.15 178.40 1hfe h LYS 268 N 0.70 0.45 -0.51 2.37 1.57 -0.76 -1.89 116.57 118.51 1hfe h LYS 268 Ca 0.18 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1hfe h LYS 268 Cb 0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1hfe h LYS 268 CO -0.03 0.65 0.34 0.87 -0.57 0.00 0.00 179.45 180.70 1hfe h LYS 269 N 0.22 0.58 0.00 3.15 1.79 -0.48 0.13 116.57 121.96 1hfe h LYS 269 Ca 0.07 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1hfe h LYS 269 Cb 0.45 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1hfe h LYS 269 CO 0.02 0.39 0.00 0.00 -1.08 0.00 0.00 179.45 178.77 1hfe n ALA 270 N -2.47 2.27 -1.62 3.86 0.00 -0.53 -4.91 120.51 117.10 1hfe n ALA 270 Ca 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1hfe n ALA 270 Cb 0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 1.18 0.46 3.68 0.00 0.00 0.46 -5.00 105.19 105.98 1hfe n GLY 271 Ca 0.09 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.22 4.75 -1.30 -0.61 1.01 -0.74 -4.94 121.20 117.14 1hfe s ILE 272 Ca 0.00 2.03 -0.17 0.00 0.00 0.00 0.00 60.65 62.51 1hfe s ILE 272 Cb 0.00 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 38.24 1hfe s ILE 272 CO 0.00 -0.04 1.74 -0.67 0.00 0.00 0.00 174.94 175.97 1hfe n ASP 273 N 5.30 4.91 -0.20 3.58 -0.08 -1.26 -4.70 116.55 124.10 1hfe n ASP 273 Ca 0.09 -2.92 -0.01 0.00 -1.51 0.00 0.00 54.79 50.44 1hfe n ASP 273 Cb 0.48 -1.72 0.06 0.00 2.34 0.00 0.00 41.12 42.28 1hfe n ASP 273 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1hfe h PHE 274 N 7.42 -0.29 -0.04 -0.67 3.57 -1.94 -1.42 116.94 123.57 1hfe h PHE 274 Ca 0.44 0.05 0.01 0.00 3.53 0.00 0.00 57.97 62.01 1hfe h PHE 274 Cb 0.86 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1hfe h PHE 274 CO 1.39 -0.25 0.03 0.00 -2.23 0.00 0.00 178.31 177.26 1hfe h ALA 275 N 1.59 1.90 -0.51 2.41 0.00 -1.88 -2.07 119.26 120.70 1hfe h ALA 275 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1hfe h ALA 275 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hfe h ALA 275 CO -0.60 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.22 1hfe n LYS 276 N -4.32 2.46 -2.57 0.00 4.76 -0.55 -4.98 118.16 112.96 1hfe n LYS 276 Ca -0.02 -2.24 -0.39 0.00 -2.87 0.00 0.00 58.31 52.79 1hfe n LYS 276 Cb 0.13 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.25 4.50 0.85 -0.35 1.43 -0.78 -5.05 118.68 118.04 1hfe s LEU 277 Ca 0.41 2.13 -0.13 0.00 -1.03 0.00 0.00 54.13 55.52 1hfe s LEU 277 Cb 0.22 -3.73 0.10 0.00 0.03 0.00 0.00 46.19 42.82 1hfe s LEU 277 CO 0.30 -0.12 1.18 -2.16 0.23 0.00 0.00 176.35 175.79 1hfe s PRO 278 N -1.58 1.64 -0.02 1.29 0.04 -1.26 -4.78 135.00 130.33 1hfe s PRO 278 Ca 0.46 0.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 1hfe s PRO 278 Cb -0.28 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1hfe s PRO 278 CO 0.36 -1.82 1.27 -0.51 0.04 0.00 0.00 177.00 176.34 1hfe s ASP 279 N -4.50 6.98 0.64 6.66 1.01 -1.26 -4.32 116.67 121.89 1hfe s ASP 279 Ca 0.64 1.96 -0.12 0.00 0.71 0.00 0.00 52.55 55.73 1hfe s ASP 279 Cb -0.11 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 1hfe s ASP 279 CO 0.50 -0.62 1.04 -0.83 0.21 0.00 0.00 175.17 175.48 1hfe s GLY 280 N 1.56 1.74 0.06 0.21 0.00 0.77 -4.93 107.32 106.73 1hfe s GLY 280 Ca 0.59 0.06 -0.20 0.00 0.00 0.00 0.00 44.72 45.17 1hfe s GLY 280 CO 0.25 0.35 0.60 1.25 0.00 0.00 0.00 173.10 175.54 1hfe s LYS 281 N -4.92 4.26 0.44 2.90 2.20 -1.26 -4.79 119.74 118.58 1hfe s LYS 281 Ca 0.57 0.78 -0.24 0.00 -0.36 0.00 0.00 55.97 56.72 1hfe s LYS 281 Cb -0.13 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.85 1hfe s LYS 281 CO 0.51 0.56 1.17 1.03 -0.36 0.00 0.00 175.35 178.26 1hfe s ARG 282 N -0.87 3.87 0.32 4.03 0.52 -1.26 -4.96 118.95 120.59 1hfe s ARG 282 Ca 0.30 1.81 -0.29 0.00 -0.52 0.00 0.00 55.73 57.03 1hfe s ARG 282 Cb -0.19 -2.51 -0.11 0.00 0.52 0.00 0.00 34.95 32.65 1hfe s ARG 282 CO 0.19 -0.47 1.54 0.34 0.02 0.00 0.00 175.30 176.92 1hfe s ASP 283 N -1.26 6.40 0.25 0.23 2.15 -1.26 -4.90 116.67 118.29 1hfe s ASP 283 Ca 0.61 2.95 0.24 0.00 0.43 0.00 0.00 52.55 56.77 1hfe s ASP 283 Cb -0.30 -2.64 0.97 0.00 -0.30 0.00 0.00 42.92 40.65 1hfe s ASP 283 CO 0.37 -0.87 1.72 -1.20 -0.17 0.00 0.00 175.17 175.01 1hfe n SER 284 N 1.61 0.68 -0.08 -0.34 7.64 -1.26 -2.20 113.62 119.66 1hfe n SER 284 Ca 0.05 0.66 -0.12 0.00 1.01 0.00 0.00 58.87 60.48 1hfe n SER 284 Cb 0.38 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 1hfe n SER 284 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1hfe n LEU 285 N -2.24 1.79 -2.59 -3.43 7.94 -1.26 -4.83 117.00 112.38 1hfe n LEU 285 Ca 0.02 0.30 -0.21 0.00 -1.11 0.00 0.00 56.01 55.02 1hfe n LEU 285 Cb 0.25 -0.69 0.01 0.00 0.53 0.00 0.00 43.42 43.52 1hfe n LEU 285 CO 0.21 -0.16 0.07 0.23 -1.11 0.00 0.00 177.39 176.63 1hfe n MET 286 N -4.26 2.59 -0.00 1.96 2.81 -1.26 -4.84 117.12 114.12 1hfe n MET 286 Ca -0.20 -4.08 0.00 0.00 -1.81 0.00 0.00 57.70 51.61 1hfe n MET 286 Cb 0.53 -1.90 -0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 -0.30 0.59 3.77 3.03 0.00 -0.93 -1.78 105.19 109.55 1hfe n GLY 287 Ca 0.28 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.41 4.66 0.06 1.61 2.12 -1.26 -4.55 118.70 119.93 1hfe s GLU 288 Ca 0.00 1.47 -0.05 0.00 0.36 0.00 0.00 54.97 56.74 1hfe s GLU 288 Cb 0.00 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 1hfe s GLU 288 CO 0.00 0.33 0.09 -1.54 -0.54 0.00 0.00 175.26 173.60 1hfe s SER 289 N -1.35 0.25 0.46 -1.70 1.04 -1.26 -4.07 113.70 107.06 1hfe s SER 289 Ca 0.47 -0.71 0.07 0.00 0.48 0.00 0.00 55.95 56.26 1hfe s SER 289 Cb -0.23 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1hfe s SER 289 CO 0.29 -0.61 0.42 0.42 0.98 0.00 0.00 173.24 174.75 1hfe s THR 290 N -3.42 2.42 0.38 2.02 -4.23 -1.26 -5.00 115.64 106.55 1hfe s THR 290 Ca 0.02 -1.34 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 1hfe s THR 290 Cb 0.04 -2.76 0.18 0.00 1.34 0.00 0.00 72.50 71.30 1hfe s THR 290 CO -0.08 0.00 1.94 1.23 -0.54 0.00 0.00 174.62 177.17 1hfe h GLY 291 N 0.89 0.38 1.46 3.99 0.00 -2.00 -1.45 103.07 106.33 1hfe h GLY 291 Ca -0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1hfe h GLY 291 CO 0.56 0.20 0.15 -1.33 0.00 0.00 0.00 176.54 176.11 1hfe h GLY 292 N 0.69 0.74 1.00 4.60 0.00 -1.95 -2.19 103.07 105.96 1hfe h GLY 292 Ca 0.08 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 1hfe h GLY 292 CO 0.01 0.36 -0.46 0.00 0.00 0.00 0.00 176.54 176.45 1hfe h ALA 293 N 1.49 0.35 -0.05 3.60 0.00 -1.60 -3.22 119.26 119.83 1hfe h ALA 293 Ca 0.16 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1hfe h ALA 293 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1hfe h ALA 293 CO -0.01 0.49 -0.24 0.00 0.00 0.00 0.00 179.25 179.49 1hfe h THR 294 N 0.40 1.20 0.00 0.00 1.03 -1.02 -1.94 112.91 112.58 1hfe h THR 294 Ca 0.00 -0.93 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 1hfe h THR 294 Cb 1.06 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.58 1hfe h THR 294 CO 0.10 0.27 0.00 2.30 -0.01 0.00 0.00 175.52 178.18 1hfe n ILE 295 N -4.22 0.16 -0.18 0.00 -5.35 -0.86 -3.14 119.36 105.78 1hfe n ILE 295 Ca -0.02 0.04 0.15 0.00 -0.27 0.00 0.00 62.75 62.65 1hfe n ILE 295 Cb 0.32 -0.67 0.49 0.00 -1.74 0.00 0.00 39.64 38.04 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 0.53 0.00 4.28 -1.00 -1.44 -2.04 116.94 117.27 1hfe h PHE 296 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1hfe h PHE 296 Cb 0.12 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1hfe h PHE 296 CO 0.00 0.20 0.00 0.41 -1.61 0.00 0.00 178.31 177.31 1hfe n GLY 297 N -1.51 -0.62 3.40 -1.45 0.00 -1.19 -4.49 105.19 99.33 1hfe n GLY 297 Ca 0.15 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.76 2.15 0.13 1.61 -7.23 -0.77 -0.07 120.40 113.46 1hfe s VAL 298 Ca 0.05 -2.10 -0.31 0.00 -1.81 0.00 0.00 61.98 57.81 1hfe s VAL 298 Cb 0.05 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 1hfe s VAL 298 CO 0.12 -0.30 1.78 0.28 -0.31 0.00 0.00 175.10 176.67 1hfe s THR 299 N -2.13 2.53 0.00 5.32 -1.32 -0.61 -0.94 115.64 118.49 1hfe s THR 299 Ca 0.21 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 1hfe s THR 299 Cb -0.06 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.86 1hfe s THR 299 CO 0.10 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 1hfe n GLY 300 N 4.15 0.90 0.16 6.08 0.00 -1.26 -4.37 105.19 110.86 1hfe n GLY 300 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.51 1.01 -0.02 0.00 -1.13 -0.86 103.07 102.57 1hfe h GLY 301 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1hfe h GLY 301 CO 0.00 0.37 0.47 -2.08 0.00 0.00 0.00 176.54 175.30 1hfe h VAL 302 N 0.22 1.22 -0.24 4.60 2.07 -1.76 0.48 116.25 122.84 1hfe h VAL 302 Ca 0.07 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1hfe h VAL 302 Cb 0.49 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1hfe h VAL 302 CO 0.02 0.23 0.08 -0.03 0.02 0.00 0.00 177.57 177.89 1hfe h MET 303 N 1.08 0.38 -0.38 1.57 4.05 -1.92 0.53 114.93 120.24 1hfe h MET 303 Ca 0.28 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 1hfe h MET 303 Cb -0.04 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1hfe h MET 303 CO -0.05 0.46 0.18 1.49 0.23 0.00 0.00 176.91 179.22 1hfe h GLU 304 N 0.23 0.54 -0.87 0.39 4.81 -0.86 0.20 114.58 119.01 1hfe h GLU 304 Ca 0.08 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1hfe h GLU 304 Cb 0.24 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1hfe h GLU 304 CO -0.00 0.49 0.57 0.00 -0.73 0.00 0.00 179.01 179.34 1hfe h ALA 305 N 1.03 1.36 -0.47 2.92 0.00 -0.68 -0.96 119.26 122.45 1hfe h ALA 305 Ca 0.13 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1hfe h ALA 305 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1hfe h ALA 305 CO -0.02 0.59 -0.18 0.00 0.00 0.00 0.00 179.25 179.64 1hfe h ALA 306 N 1.44 0.77 -0.57 0.00 0.00 -0.38 -2.64 119.26 117.88 1hfe h ALA 306 Ca 0.32 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1hfe h ALA 306 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1hfe h ALA 306 CO -0.07 0.66 0.01 -0.07 0.00 0.00 0.00 179.25 179.78 1hfe h LEU 307 N 0.82 0.96 -1.33 0.00 3.38 -0.23 0.26 115.31 119.17 1hfe h LEU 307 Ca 0.12 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1hfe h LEU 307 Cb 0.74 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1hfe h LEU 307 CO 0.06 1.01 0.46 0.03 0.09 0.00 0.00 178.44 180.09 1hfe h ARG 308 N 0.91 0.88 0.00 1.13 3.08 -0.98 -0.64 114.38 118.76 1hfe h ARG 308 Ca 0.17 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1hfe h ARG 308 Cb 0.52 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1hfe h ARG 308 CO 0.03 0.58 -0.00 0.35 -1.07 0.00 0.00 179.97 179.85 1hfe h PHE 309 N 0.90 -0.00 -0.94 3.04 3.04 -1.09 -3.35 116.94 118.54 1hfe h PHE 309 Ca 0.26 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.30 1hfe h PHE 309 Cb -0.05 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.39 1hfe h PHE 309 CO -0.00 0.67 0.60 0.00 -2.02 0.00 0.00 178.31 177.56 1hfe h ALA 310 N -0.32 1.55 0.11 2.41 0.00 -0.37 -1.14 119.26 121.50 1hfe h ALA 310 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hfe h ALA 310 Cb 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1hfe h ALA 310 CO 0.00 0.27 -0.12 -0.92 0.00 0.00 0.00 179.25 178.48 1hfe h TYR 311 N 0.99 -0.30 0.00 0.00 5.03 -1.27 -1.21 116.97 120.20 1hfe h TYR 311 Ca 0.43 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.67 1hfe h TYR 311 Cb 0.34 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1hfe h TYR 311 CO -0.00 -0.18 -0.34 1.49 -1.32 0.00 0.00 178.16 177.81 1hfe h GLU 312 N -0.26 0.00 -0.24 1.82 4.81 -1.58 -1.19 114.58 117.93 1hfe h GLU 312 Ca 0.01 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 1hfe h GLU 312 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1hfe h GLU 312 CO -0.04 0.34 -0.55 0.00 -0.73 0.00 0.00 179.01 178.03 1hfe h ALA 313 N 1.66 0.56 0.07 2.92 0.00 -0.75 -0.59 119.26 123.13 1hfe h ALA 313 Ca -0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1hfe h ALA 313 Cb 0.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1hfe h ALA 313 CO 0.04 0.69 -0.71 0.28 0.00 0.00 0.00 179.25 179.55 1hfe h VAL 314 N 0.57 1.45 0.00 0.00 2.07 -1.13 -3.39 116.25 115.81 1hfe h VAL 314 Ca 0.01 -2.41 -0.17 0.00 0.82 0.00 0.00 66.70 64.96 1hfe h VAL 314 Cb 1.13 3.06 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 1hfe h VAL 314 CO 0.12 0.63 -1.05 0.71 0.02 0.00 0.00 177.57 177.99 1hfe h THR 315 N -0.65 0.88 0.00 2.57 1.35 -1.32 -3.48 112.91 112.26 1hfe h THR 315 Ca -0.15 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 1hfe h THR 315 Cb 1.41 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 1hfe h THR 315 CO 0.04 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1hfe n GLY 316 N 1.35 1.26 3.27 5.82 0.00 -0.23 -5.02 105.19 111.64 1hfe n GLY 316 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1hfe n GLY 316 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hfe s LYS 317 N -0.41 1.10 0.39 1.61 -2.85 -1.25 -5.01 119.74 113.32 1hfe s LYS 317 Ca 0.00 -1.36 -0.25 0.00 -1.00 0.00 0.00 55.97 53.36 1hfe s LYS 317 Cb 0.00 -0.90 -0.09 0.00 -2.06 0.00 0.00 37.83 34.79 1hfe s LYS 317 CO 0.00 0.16 1.09 0.15 0.10 0.00 0.00 175.35 176.84 1hfe s LYS 318 N -3.12 4.16 0.66 1.78 1.02 -1.26 -3.68 119.74 119.30 1hfe s LYS 318 Ca 0.14 1.63 -0.14 0.00 0.02 0.00 0.00 55.97 57.62 1hfe s LYS 318 Cb -0.02 -2.63 -0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1hfe s LYS 318 CO 0.03 -0.17 1.08 -1.25 -0.92 0.00 0.00 175.35 174.12 1hfe s PRO 319 N -2.36 2.91 0.52 -1.68 0.04 -1.26 -4.92 135.00 128.25 1hfe s PRO 319 Ca 0.57 1.23 0.27 0.00 0.04 0.00 0.00 61.00 63.11 1hfe s PRO 319 Cb -0.25 -1.98 1.45 0.00 0.04 0.00 0.00 34.50 33.76 1hfe s PRO 319 CO 0.32 -1.14 2.07 -0.44 0.04 0.00 0.00 177.00 177.85 1hfe h ASP 320 N -0.14 0.00 -3.70 6.66 3.32 -2.00 -3.41 116.42 117.16 1hfe h ASP 320 Ca -0.46 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.37 1hfe h ASP 320 Cb 1.23 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.50 1hfe h ASP 320 CO 0.55 0.11 -0.63 -0.55 -1.72 0.00 0.00 179.24 177.01 1hfe s SER 321 N -6.15 -0.08 0.19 6.45 0.15 -1.26 -5.02 113.70 107.98 1hfe s SER 321 Ca -0.03 0.17 0.26 0.00 0.70 0.00 0.00 55.95 57.06 1hfe s SER 321 Cb 0.13 0.15 0.84 0.00 -1.71 0.00 0.00 66.02 65.43 1hfe s SER 321 CO 0.58 -0.05 1.78 0.79 1.20 0.00 0.00 173.24 177.54 1hfe n TRP 322 N 3.26 0.83 -2.80 3.44 7.02 -1.26 -4.77 117.44 123.16 1hfe n TRP 322 Ca -0.15 0.24 -0.42 0.00 -1.02 0.00 0.00 57.50 56.15 1hfe n TRP 322 Cb 0.58 -0.89 -0.03 0.00 -2.42 0.00 0.00 31.31 28.54 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 -4.37 7.08 -0.77 -0.99 1.01 -1.26 -4.88 116.67 112.49 1hfe s ASP 323 Ca 0.11 1.33 0.03 0.00 0.71 0.00 0.00 52.55 54.73 1hfe s ASP 323 Cb 0.13 -2.50 0.19 0.00 1.01 0.00 0.00 42.92 41.75 1hfe s ASP 323 CO 0.59 -0.43 0.62 0.49 0.21 0.00 0.00 175.17 176.65 1hfe n PHE 324 N 5.18 3.58 0.30 4.23 3.01 -1.26 -4.95 117.46 127.55 1hfe n PHE 324 Ca 0.07 -4.23 0.18 0.00 1.01 0.00 0.00 57.45 54.47 1hfe n PHE 324 Cb 0.49 -0.79 0.86 0.00 -0.01 0.00 0.00 39.48 40.03 1hfe n PHE 324 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1hfe h LYS 325 N 5.48 0.00 0.00 -1.08 1.57 -1.98 -3.11 116.57 117.44 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 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1hfe h LYS 325 CO 0.78 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 179.63 1hfe h ALA 326 N 2.03 1.05 -0.16 3.86 0.00 -1.92 -2.41 119.26 121.72 1hfe h ALA 326 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hfe h ALA 326 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1hfe h ALA 326 CO 0.00 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.62 1hfe n VAL 327 N -3.20 0.18 -3.15 0.00 0.24 -1.18 -4.56 118.33 106.66 1hfe n VAL 327 Ca -0.01 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.52 1hfe n VAL 327 Cb 0.22 0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 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 -1.82 3.58 0.00 7.34 0.52 -0.91 -4.11 118.95 123.55 1hfe s ARG 328 Ca 0.34 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 1hfe s ARG 328 Cb 0.21 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 33.11 1hfe s ARG 328 CO 0.30 0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1hfe n GLY 329 N -1.53 0.90 0.15 -3.53 0.00 -1.26 -4.77 105.19 95.14 1hfe n GLY 329 Ca -0.02 -2.10 0.15 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 0.48 -4.69 0.99 4.77 -1.26 -4.89 117.00 112.41 1hfe n LEU 330 Ca 0.00 -0.11 -0.44 0.00 -0.03 0.00 0.00 56.01 55.43 1hfe n LEU 330 Cb 0.00 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1hfe n LEU 330 CO 0.00 0.08 1.13 0.47 -1.33 0.00 0.00 177.39 177.74 1hfe n ASP 331 N -0.71 3.16 -0.11 -1.43 9.92 -1.26 -4.87 116.55 121.24 1hfe n ASP 331 Ca 0.20 1.12 -0.06 0.00 -0.53 0.00 0.00 54.79 55.52 1hfe n ASP 331 Cb 0.22 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.22 1hfe n ASP 331 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1hfe h GLY 332 N 4.92 -0.05 -6.35 0.44 0.00 -1.90 -3.39 103.07 96.73 1hfe h GLY 332 Ca -0.45 0.32 -0.56 0.00 0.00 0.00 0.00 47.33 46.63 1hfe h GLY 332 CO 0.81 -0.21 -0.82 -0.42 0.00 0.00 0.00 176.54 175.90 1hfe s ILE 333 N -6.08 1.32 -0.09 2.60 1.01 -1.26 -2.39 121.20 116.30 1hfe s ILE 333 Ca -0.15 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1hfe s ILE 333 Cb 0.14 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1hfe s ILE 333 CO 0.69 0.41 -0.15 -0.54 0.00 0.00 0.00 174.94 175.35 1hfe s LYS 334 N 1.41 2.98 0.29 2.79 1.02 0.16 -4.96 119.74 123.43 1hfe s LYS 334 Ca 0.01 -0.72 0.10 0.00 0.02 0.00 0.00 55.97 55.38 1hfe s LYS 334 Cb -0.13 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 1hfe s LYS 334 CO -0.07 0.37 -0.01 -1.21 -0.92 0.00 0.00 175.35 173.51 1hfe s GLU 335 N -0.08 2.19 -0.19 1.68 2.02 -1.26 -0.67 118.70 122.38 1hfe s GLU 335 Ca -0.03 -1.53 -0.28 0.00 0.02 0.00 0.00 54.97 53.15 1hfe s GLU 335 Cb -0.14 -2.07 0.11 0.00 0.10 0.00 0.00 34.13 32.13 1hfe s GLU 335 CO 0.04 0.29 0.94 0.00 0.02 0.00 0.00 175.26 176.55 1hfe s ALA 336 N -2.39 -1.91 -0.13 5.21 0.00 -0.82 -4.72 121.76 116.99 1hfe s ALA 336 Ca 0.32 1.68 0.02 0.00 0.00 0.00 0.00 51.96 53.98 1hfe s ALA 336 Cb -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1hfe s ALA 336 CO 0.19 -0.30 -0.17 0.99 0.00 0.00 0.00 175.76 176.48 1hfe s THR 337 N -0.54 1.72 -0.09 0.00 2.01 -1.26 -1.23 115.64 116.25 1hfe s THR 337 Ca -0.01 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1hfe s THR 337 Cb -0.02 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.93 1hfe s THR 337 CO 0.00 0.48 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.51 1hfe s VAL 338 N 1.08 1.86 -0.41 3.82 1.01 -0.16 -4.94 120.40 122.66 1hfe s VAL 338 Ca -0.03 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1hfe s VAL 338 Cb -0.14 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1hfe s VAL 338 CO -0.05 0.52 0.97 0.21 0.00 0.00 0.00 175.10 176.74 1hfe s ASN 339 N 0.38 6.62 -0.36 3.32 3.84 -1.26 -0.14 114.94 127.35 1hfe s ASN 339 Ca -0.17 0.43 0.01 0.00 0.21 0.00 0.00 52.86 53.34 1hfe s ASN 339 Cb -0.17 -2.48 0.10 0.00 -0.55 0.00 0.00 41.25 38.15 1hfe s ASN 339 CO 0.08 -0.99 0.10 -0.69 -2.79 0.00 0.00 177.10 172.81 1hfe s VAL 340 N 3.73 2.70 -1.34 -5.21 1.01 0.56 -4.69 120.40 117.16 1hfe s VAL 340 Ca 0.40 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1hfe s VAL 340 Cb -0.11 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1hfe s VAL 340 CO 0.23 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.37 1hfe n GLY 341 N 4.41 0.09 0.36 4.51 0.00 -1.26 -2.23 105.19 111.07 1hfe n GLY 341 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.04 1.50 3.69 -0.02 0.00 -1.26 -5.04 105.19 103.02 1hfe n GLY 342 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1hfe n GLY 342 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hfe s THR 343 N -2.36 5.37 -0.52 2.61 2.01 -0.95 -5.04 115.64 116.76 1hfe s THR 343 Ca 0.00 0.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.97 1hfe s THR 343 Cb 0.00 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1hfe s THR 343 CO 0.00 0.38 1.09 -1.81 -0.69 0.00 0.00 174.62 173.59 1hfe s ASP 344 N 0.73 6.51 -0.29 3.53 1.11 -1.26 -0.32 116.67 126.67 1hfe s ASP 344 Ca 0.09 0.17 -0.20 0.00 0.18 0.00 0.00 52.55 52.79 1hfe s ASP 344 Cb -0.13 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 1hfe s ASP 344 CO 0.02 -1.28 0.60 -0.69 1.18 0.00 0.00 175.17 175.00 1hfe s VAL 345 N 4.41 4.98 -0.32 -1.27 1.01 0.80 -4.91 120.40 125.10 1hfe s VAL 345 Ca 0.42 0.87 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 1hfe s VAL 345 Cb -0.09 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1hfe s VAL 345 CO 0.27 -0.07 0.31 -0.54 0.00 0.00 0.00 175.10 175.07 1hfe s LYS 346 N 2.52 3.69 0.23 2.72 1.02 -1.26 -0.99 119.74 127.67 1hfe s LYS 346 Ca 0.24 -0.37 0.12 0.00 0.02 0.00 0.00 55.97 55.98 1hfe s LYS 346 Cb -0.15 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.36 1hfe s LYS 346 CO 0.11 -0.41 -0.21 0.14 -0.92 0.00 0.00 175.35 174.06 1hfe s VAL 347 N 1.92 2.47 0.03 3.17 -7.23 -0.37 0.30 120.40 120.70 1hfe s VAL 347 Ca 0.10 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1hfe s VAL 347 Cb -0.16 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1hfe s VAL 347 CO 0.11 -0.24 -0.04 0.00 -0.31 0.00 0.00 175.10 174.62 1hfe s ALA 348 N -2.03 0.32 -0.05 1.32 0.00 -0.48 -1.95 121.76 118.89 1hfe s ALA 348 Ca 0.25 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1hfe s ALA 348 Cb -0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1hfe s ALA 348 CO 0.12 -0.18 -0.00 0.08 0.00 0.00 0.00 175.76 175.78 1hfe s VAL 349 N -2.04 0.29 -0.03 0.00 1.01 0.16 -0.84 120.40 118.94 1hfe s VAL 349 Ca -0.09 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1hfe s VAL 349 Cb -0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 1hfe s VAL 349 CO -0.03 0.20 -0.14 0.54 0.00 0.00 0.00 175.10 175.67 1hfe s VAL 350 N 1.35 1.19 -0.01 2.92 0.11 0.13 -0.67 120.40 125.43 1hfe s VAL 350 Ca -0.05 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 1hfe s VAL 350 Cb -0.13 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1hfe s VAL 350 CO -0.02 0.35 -0.10 -1.38 -3.33 0.00 0.00 175.10 170.62 1hfe s HIS 351 N 0.04 0.86 0.00 1.54 -3.43 -1.00 -1.62 115.29 111.67 1hfe s HIS 351 Ca -0.02 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 1hfe s HIS 351 Cb -0.10 -0.55 0.00 0.00 -1.43 0.00 0.00 32.58 30.50 1hfe s HIS 351 CO 0.01 -0.01 0.00 0.41 -2.00 0.00 0.00 174.74 173.15 1hfe n GLY 352 N 2.82 0.09 0.27 -1.38 0.00 0.11 -4.69 105.19 102.42 1hfe n GLY 352 Ca -0.14 -0.86 0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 1.09 0.00 4.61 0.00 -1.17 -0.52 119.26 123.26 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 -0.09 -0.06 0.87 0.00 0.00 0.00 179.25 179.97 1hfe h LYS 354 N 0.00 0.00 -0.00 0.00 1.57 -1.86 -1.48 116.57 114.80 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 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1hfe h LYS 354 CO 0.00 0.06 -0.23 0.54 -0.57 0.00 0.00 179.45 179.25 1hfe n ARG 355 N -3.91 0.50 -0.21 3.15 1.74 -0.20 -4.28 116.66 113.45 1hfe n ARG 355 Ca -0.03 -0.23 -0.08 0.00 -0.77 0.00 0.00 57.85 56.74 1hfe n ARG 355 Cb 0.16 -1.50 0.03 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 0.57 1.00 -0.58 -1.55 0.04 -1.39 -3.25 116.94 111.79 1hfe h PHE 356 Ca 0.00 -0.12 0.11 0.00 2.80 0.00 0.00 57.97 60.76 1hfe h PHE 356 Cb 0.45 -0.28 -0.09 0.00 2.20 0.00 0.00 35.95 38.23 1hfe h PHE 356 CO 0.00 0.85 0.09 -0.22 -0.60 0.00 0.00 178.31 178.43 1hfe h LYS 357 N 0.86 0.21 -0.55 1.51 3.64 -1.75 0.17 116.57 120.66 1hfe h LYS 357 Ca 0.19 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1hfe h LYS 357 Cb 0.36 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1hfe h LYS 357 CO 0.00 0.14 0.07 -0.56 -2.27 0.00 0.00 179.45 176.83 1hfe h GLN 358 N 0.22 0.89 -0.18 1.90 3.07 -1.86 -0.05 115.11 119.09 1hfe h GLN 358 Ca 0.30 -0.22 -0.10 0.00 0.09 0.00 0.00 58.65 58.72 1hfe h GLN 358 Cb 0.45 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.90 1hfe h GLN 358 CO -0.41 0.84 -0.27 0.28 0.09 0.00 0.00 178.83 179.36 1hfe h VAL 359 N 0.84 1.34 -0.58 1.86 2.07 -1.46 -2.58 116.25 117.73 1hfe h VAL 359 Ca 0.17 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 1hfe h VAL 359 Cb 0.40 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1hfe h VAL 359 CO 0.01 0.45 0.02 0.00 0.02 0.00 0.00 177.57 178.07 1hfe h ASP 361 N 0.91 0.52 -0.39 0.00 3.32 -1.00 0.62 116.42 120.40 1hfe h ASP 361 Ca 0.17 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 1hfe h ASP 361 Cb 0.53 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1hfe h ASP 361 CO 0.03 0.45 -0.36 0.44 -1.72 0.00 0.00 179.24 178.08 1hfe h ASP 362 N 0.58 0.98 -0.38 6.45 3.32 -1.16 -1.06 116.42 125.16 1hfe h ASP 362 Ca 0.15 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1hfe h ASP 362 Cb 0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1hfe h ASP 362 CO -0.02 1.24 0.03 0.58 -1.72 0.00 0.00 179.24 179.35 1hfe h VAL 363 N 0.74 1.25 -0.57 -1.35 2.07 -0.93 -0.93 116.25 116.54 1hfe h VAL 363 Ca 0.06 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1hfe h VAL 363 Cb 0.95 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1hfe h VAL 363 CO 0.09 0.31 0.37 0.50 0.02 0.00 0.00 177.57 178.87 1hfe h LYS 364 N 0.48 0.73 0.00 1.57 3.64 -0.81 -0.92 116.57 121.26 1hfe h LYS 364 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1hfe h LYS 364 Cb 0.42 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1hfe h LYS 364 CO 0.01 0.48 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 1hfe n ALA 365 N -2.45 2.19 -0.72 5.00 0.00 -0.41 -4.90 120.51 119.22 1hfe n ALA 365 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1hfe n ALA 365 Cb 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.15 0.72 2.02 0.00 0.00 -0.35 -4.95 105.19 103.78 1hfe n GLY 366 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1hfe n GLY 366 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1hfe n LYS 367 N -2.47 2.62 -3.20 1.61 2.85 -0.40 -4.95 118.16 114.20 1hfe n LYS 367 Ca 0.00 -3.05 -0.39 0.00 -1.05 0.00 0.00 58.31 53.82 1hfe n LYS 367 Cb 0.00 -2.14 -0.06 0.00 -0.65 0.00 0.00 35.03 32.18 1hfe n LYS 367 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1hfe s SER 368 N -1.39 6.73 0.00 -5.58 0.15 -1.19 -4.85 113.70 107.58 1hfe s SER 368 Ca 0.55 0.88 0.28 0.00 0.70 0.00 0.00 55.95 58.36 1hfe s SER 368 Cb 0.46 -2.33 1.06 0.00 -1.71 0.00 0.00 66.02 63.51 1hfe s SER 368 CO 0.10 -0.11 1.75 -0.81 1.20 0.00 0.00 173.24 175.38 1hfe n PRO 369 N 4.15 1.16 -3.11 5.44 -0.04 -1.26 -4.95 135.00 136.39 1hfe n PRO 369 Ca -0.04 -0.59 -0.26 0.00 -0.04 0.00 0.00 63.50 62.57 1hfe n PRO 369 Cb 0.51 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1hfe n PRO 369 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1hfe s TYR 370 N -2.25 3.52 -0.15 0.54 2.02 -1.26 -4.80 117.35 114.96 1hfe s TYR 370 Ca 0.33 0.57 0.16 0.00 -0.37 0.00 0.00 57.07 57.76 1hfe s TYR 370 Cb 0.20 -2.08 -0.23 0.00 -0.40 0.00 0.00 41.96 39.46 1hfe s TYR 370 CO 0.42 -0.01 0.11 0.72 -1.57 0.00 0.00 175.55 175.22 1hfe n HIS 371 N -1.80 0.00 -3.71 2.71 8.25 0.15 -3.81 115.22 117.01 1hfe n HIS 371 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 1hfe n HIS 371 Cb 0.55 -0.81 -0.12 0.00 1.12 0.00 0.00 29.99 30.74 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 -2.54 -0.47 -0.08 4.41 2.19 -1.16 -1.12 117.98 119.21 1hfe s PHE 372 Ca -0.08 1.04 0.02 0.00 0.33 0.00 0.00 56.93 58.23 1hfe s PHE 372 Cb 0.06 0.16 0.02 0.00 -1.31 0.00 0.00 43.02 41.94 1hfe s PHE 372 CO 0.73 -0.29 -0.12 0.42 1.83 0.00 0.00 175.22 177.79 1hfe s ILE 373 N 1.35 1.16 -0.13 3.12 1.01 -0.05 -1.38 121.20 126.28 1hfe s ILE 373 Ca -0.09 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 1hfe s ILE 373 Cb -0.09 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1hfe s ILE 373 CO -0.11 0.37 0.29 -0.70 0.00 0.00 0.00 174.94 174.79 1hfe s GLU 374 N 0.92 4.10 -0.08 2.79 2.12 -0.02 -1.85 118.70 126.68 1hfe s GLU 374 Ca -0.10 0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.39 1hfe s GLU 374 Cb -0.15 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1hfe s GLU 374 CO 0.01 0.38 -0.21 0.71 -0.54 0.00 0.00 175.26 175.61 1hfe s TYR 375 N 0.03 2.22 -0.07 5.30 1.51 -1.26 -0.69 117.35 124.39 1hfe s TYR 375 Ca 0.17 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1hfe s TYR 375 Cb -0.13 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1hfe s TYR 375 CO 0.05 -0.32 -0.05 -1.64 -1.11 0.00 0.00 175.55 172.47 1hfe s MET 376 N 0.27 1.12 0.41 -0.62 -1.94 -0.64 -4.62 119.30 113.28 1hfe s MET 376 Ca -0.13 -0.14 0.18 0.00 -1.71 0.00 0.00 55.69 53.88 1hfe s MET 376 Cb -0.16 -1.18 0.87 0.00 2.01 0.00 0.00 34.83 36.37 1hfe s MET 376 CO 0.06 -0.17 1.86 0.00 -0.01 0.00 0.00 175.02 176.75 1hfe h ALA 377 N 7.73 1.25 -2.98 3.03 0.00 -1.92 0.35 119.26 126.72 1hfe h ALA 377 Ca -0.30 -0.29 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 1hfe h ALA 377 Cb 1.14 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1hfe h ALA 377 CO 0.40 0.39 -0.34 0.00 0.00 0.00 0.00 179.25 179.70 1hfe n PRO 379 N 3.07 2.74 0.00 0.00 -0.02 -1.26 -0.90 135.00 138.63 1hfe n PRO 379 Ca -0.14 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1hfe n PRO 379 Cb 0.52 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1hfe n PRO 379 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hfe n GLY 380 N 3.99 3.28 2.11 -1.23 0.00 -1.26 -4.64 105.19 107.44 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 -1.80 0.31 -0.02 0.00 -0.07 -1.58 105.19 100.03 1hfe n GLY 381 Ca 0.00 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.64 0.00 -1.51 -0.73 0.29 116.25 114.01 1hfe h VAL 383 Ca 0.09 -0.32 -0.37 0.00 -1.23 0.00 0.00 66.70 64.86 1hfe h VAL 383 Cb 0.37 1.23 -0.22 0.00 -2.13 0.00 0.00 31.29 30.54 1hfe h VAL 383 CO -0.00 0.06 0.15 0.00 -1.23 0.00 0.00 177.57 176.54 1hfe s GLY 385 N -2.27 1.60 0.04 0.00 0.00 0.09 -4.78 107.32 102.00 1hfe s GLY 385 Ca 0.51 -0.16 0.17 0.00 0.00 0.00 0.00 44.72 45.24 1hfe s GLY 385 CO 0.03 0.38 1.53 0.61 0.00 0.00 0.00 173.10 175.64 1hfe n GLY 386 N -1.01 -1.07 0.97 0.20 0.00 -1.09 -2.61 105.19 100.58 1hfe n GLY 386 Ca 0.06 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 0.08 1.70 3.88 -0.02 0.00 -0.07 -4.60 105.19 106.15 1hfe n GLY 387 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.27 3.63 0.45 1.61 -1.52 -1.07 -2.55 119.66 118.94 1hfe s GLN 388 Ca 0.33 0.61 -0.25 0.00 -1.95 0.00 0.00 55.36 54.09 1hfe s GLN 388 Cb 0.19 -2.18 -0.08 0.00 -0.22 0.00 0.00 33.01 30.71 1hfe s GLN 388 CO 0.26 -0.41 1.44 -2.30 -0.25 0.00 0.00 175.29 174.03 1hfe n PRO 389 N -2.41 2.25 -2.05 2.91 -0.02 -1.26 -4.81 135.00 129.61 1hfe n PRO 389 Ca 0.04 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.95 1hfe n PRO 389 Cb 0.54 -2.64 0.01 0.00 -0.02 0.00 0.00 33.50 31.40 1hfe n PRO 389 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hfe s VAL 390 N -1.19 2.66 0.53 -1.45 1.01 -1.26 -4.99 120.40 115.70 1hfe s VAL 390 Ca 0.61 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 1hfe s VAL 390 Cb -0.45 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1hfe s VAL 390 CO 0.57 -0.02 1.04 -0.04 0.00 0.00 0.00 175.10 176.66 1hfe s MET 391 N -2.85 3.60 0.52 2.72 -1.94 -1.26 -4.98 119.30 115.11 1hfe s MET 391 Ca 0.68 1.28 -0.23 0.00 -1.71 0.00 0.00 55.69 55.72 1hfe s MET 391 Cb -0.33 -2.07 -0.06 0.00 2.01 0.00 0.00 34.83 34.38 1hfe s MET 391 CO 0.39 -0.59 1.37 -2.30 -0.01 0.00 0.00 175.02 173.89 1hfe n PRO 392 N -1.44 1.82 0.00 2.03 -0.02 -1.26 -2.69 135.00 133.45 1hfe n PRO 392 Ca 0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1hfe n PRO 392 Cb 0.53 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 0.72 2.16 0.10 -1.23 0.00 -1.26 -4.89 105.19 100.78 1hfe n GLY 393 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 1.58 -1.99 1.61 2.07 -1.90 -3.47 116.25 114.15 1hfe h VAL 394 Ca 0.00 -2.08 -0.54 0.00 0.82 0.00 0.00 66.70 64.91 1hfe h VAL 394 Cb 0.00 2.90 -0.07 0.00 -1.52 0.00 0.00 31.29 32.60 1hfe h VAL 394 CO 0.00 0.57 -0.55 -0.76 0.02 0.00 0.00 177.57 176.84 1hfe s LEU 395 N -8.39 3.34 0.77 2.57 1.43 -1.26 -4.34 118.68 112.79 1hfe s LEU 395 Ca -0.16 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 1hfe s LEU 395 Cb 0.00 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.44 1hfe s LEU 395 CO 0.75 -0.21 1.10 -1.83 0.23 0.00 0.00 176.35 176.39 1hfe s GLU 396 N -3.82 2.28 0.35 1.70 -1.05 -1.26 -5.02 118.70 111.88 1hfe s GLU 396 Ca 0.36 0.54 -0.25 0.00 -0.15 0.00 0.00 54.97 55.46 1hfe s GLU 396 Cb -0.04 -1.95 -0.10 0.00 -0.44 0.00 0.00 34.13 31.60 1hfe s GLU 396 CO 0.23 -1.46 0.99 0.00 0.95 0.00 0.00 175.26 175.97 1hfe s ALA 397 N -3.25 3.17 0.00 -0.84 0.00 -1.26 -5.08 121.76 114.51 1hfe s ALA 397 Ca 0.60 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1hfe s ALA 397 Cb -0.13 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1hfe s ALA 397 CO 0.53 0.01 0.00 -1.33 0.00 0.00 0.00 175.76 174.97