#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhf n LEU 4 N 0.00 3.38 -4.64 3.22 4.77 -1.26 -5.00 117.00 117.47 3mhf n LEU 4 Ca 0.00 1.12 -0.29 0.00 -0.03 0.00 0.00 56.01 56.81 3mhf n LEU 4 Cb 0.00 -1.47 0.20 0.00 -2.33 0.00 0.00 43.42 39.82 3mhf n LEU 4 CO 0.00 -0.26 0.63 0.42 -1.33 0.00 0.00 177.39 176.85 3mhf s THR 5 N 0.37 1.90 0.14 -5.08 -4.23 -1.26 -4.78 115.64 102.69 3mhf s THR 5 Ca 0.72 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 61.05 3mhf s THR 5 Cb -0.62 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 3mhf s THR 5 CO 0.44 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 176.22 3mhf h GLU 6 N -2.13 0.44 -0.34 3.99 4.81 -1.99 -1.20 114.58 118.16 3mhf h GLU 6 Ca -0.53 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 58.51 3mhf h GLU 6 Cb 1.32 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 3mhf h GLU 6 CO 0.52 0.31 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.79 3mhf h ASN 7 N 0.43 0.94 -0.63 1.04 4.21 -1.92 -1.76 115.58 117.88 3mhf h ASN 7 Ca 0.12 -0.49 0.01 0.00 1.21 0.00 0.00 56.30 57.15 3mhf h ASN 7 Cb -0.02 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 36.88 3mhf h ASN 7 CO -0.02 1.24 0.42 0.11 -1.29 0.00 0.00 177.43 177.89 3mhf h LYS 8 N 0.67 0.83 -0.58 0.81 1.57 -1.70 -1.32 116.57 116.85 3mhf h LYS 8 Ca 0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3mhf h LYS 8 Cb 1.01 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 3mhf h LYS 8 CO 0.10 0.55 0.27 -0.09 -0.57 0.00 0.00 179.45 179.71 3mhf h ARG 9 N 0.85 0.83 -0.75 3.15 2.43 -1.15 0.12 114.38 119.86 3mhf h ARG 9 Ca 0.23 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3mhf h ARG 9 Cb -0.09 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.27 3mhf h ARG 9 CO -0.05 0.68 0.46 0.87 -1.51 0.00 0.00 179.97 180.42 3mhf h LYS 10 N 0.78 1.02 -0.41 0.20 1.57 -1.06 -0.71 116.57 117.95 3mhf h LYS 10 Ca 0.20 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3mhf h LYS 10 Cb 0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3mhf h LYS 10 CO -0.02 0.71 -0.01 0.77 -0.57 0.00 0.00 179.45 180.33 3mhf h SER 11 N 1.03 0.72 -0.95 0.86 0.02 -0.90 -2.07 113.55 112.26 3mhf h SER 11 Ca 0.27 -0.31 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3mhf h SER 11 Cb -0.05 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.23 3mhf h SER 11 CO -0.05 0.85 0.60 0.24 -1.14 0.00 0.00 176.83 177.33 3mhf h MET 12 N 0.56 1.02 -0.14 3.45 2.86 -0.41 -1.04 114.93 121.23 3mhf h MET 12 Ca 0.12 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3mhf h MET 12 Cb 0.49 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3mhf h MET 12 CO 0.02 0.68 -0.30 0.93 1.06 0.00 0.00 176.91 179.30 3mhf h GLU 13 N 1.05 0.26 0.00 1.72 5.08 -0.87 -2.16 114.58 119.67 3mhf h GLU 13 Ca 0.43 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3mhf h GLU 13 Cb 0.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3mhf h GLU 13 CO -0.20 0.54 0.00 0.87 -1.00 0.00 0.00 179.01 179.22 3mhf h LYS 14 N 0.23 0.00 -0.00 2.33 1.57 -0.51 -2.93 116.57 117.25 3mhf h LYS 14 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mhf h LYS 14 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3mhf h LYS 14 CO 0.05 0.00 -0.43 1.28 -0.57 0.00 0.00 179.45 179.78 3mhf n LEU 15 N -2.56 0.84 -4.19 2.94 4.77 -0.75 -2.15 117.00 115.89 3mhf n LEU 15 Ca 0.03 -0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 3mhf n LEU 15 Cb 0.34 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 3mhf n LEU 15 CO 0.26 0.18 -0.13 -0.94 -1.33 0.00 0.00 177.39 175.43 3mhf s SER 16 N -2.76 0.62 -0.14 -1.43 1.04 -1.11 -3.89 113.70 106.04 3mhf s SER 16 Ca 0.17 -1.46 -0.00 0.00 0.48 0.00 0.00 55.95 55.14 3mhf s SER 16 Cb 0.18 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3mhf s SER 16 CO 0.63 -0.97 -0.11 -0.69 0.98 0.00 0.00 173.24 173.08 3mhf s VAL 17 N -3.85 1.32 -1.50 5.02 1.01 0.15 -4.77 120.40 117.79 3mhf s VAL 17 Ca 0.37 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 3mhf s VAL 17 Cb 0.04 -1.29 0.07 0.00 0.00 0.00 0.00 36.38 35.21 3mhf s VAL 17 CO 0.17 0.40 1.02 0.47 0.00 0.00 0.00 175.10 177.16 3mhf n ASP 18 N 4.85 -4.99 0.00 3.32 8.00 -1.26 -1.23 116.55 125.23 3mhf n ASP 18 Ca -0.15 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3mhf n ASP 18 Cb 0.50 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 3mhf n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhf n GLY 19 N -1.75 0.57 3.37 0.44 0.00 -1.26 -4.69 105.19 101.87 3mhf n GLY 19 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3mhf n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhf s VAL 20 N -2.43 3.01 -0.38 1.61 1.01 -0.37 -0.69 120.40 122.18 3mhf s VAL 20 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 3mhf s VAL 20 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3mhf s VAL 20 CO 0.00 0.53 0.55 -0.63 0.00 0.00 0.00 175.10 175.54 3mhf s ILE 21 N 0.31 4.97 -0.72 2.22 1.01 -0.02 -0.67 121.20 128.30 3mhf s ILE 21 Ca -0.11 0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.84 3mhf s ILE 21 Cb -0.16 -4.03 0.27 0.00 0.01 0.00 0.00 42.46 38.55 3mhf s ILE 21 CO 0.06 -0.33 0.93 -1.54 0.00 0.00 0.00 174.94 174.06 3mhf n SER 22 N 5.87 4.43 -4.84 3.58 3.41 -1.26 -0.64 113.62 124.17 3mhf n SER 22 Ca -0.04 -3.48 -0.38 0.00 -0.26 0.00 0.00 58.87 54.71 3mhf n SER 22 Cb 0.48 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 3mhf n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mhf s ALA 23 N -2.72 3.71 -0.35 7.33 0.00 -0.73 -2.00 121.76 126.99 3mhf s ALA 23 Ca 0.40 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.89 3mhf s ALA 23 Cb 0.15 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.91 3mhf s ALA 23 CO -0.01 0.48 0.71 -1.17 0.00 0.00 0.00 175.76 175.77 3mhf s LEU 24 N -1.04 4.19 -0.27 0.00 2.96 -0.34 -1.57 118.68 122.61 3mhf s LEU 24 Ca 0.23 0.28 -0.24 0.00 -0.22 0.00 0.00 54.13 54.17 3mhf s LEU 24 Cb -0.16 -2.91 -0.00 0.00 0.50 0.00 0.00 46.19 43.62 3mhf s LEU 24 CO 0.13 -0.65 0.83 0.00 -1.32 0.00 0.00 176.35 175.33 3mhf s ALA 25 N 2.89 3.60 -0.31 5.97 0.00 0.39 -0.69 121.76 133.61 3mhf s ALA 25 Ca 0.28 -0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.19 3mhf s ALA 25 Cb -0.14 -3.31 0.46 0.00 0.00 0.00 0.00 23.12 20.13 3mhf s ALA 25 CO 0.15 -1.05 1.31 0.34 0.00 0.00 0.00 175.76 176.51 3mhf n PHE 26 N 6.13 -0.40 -0.61 0.00 -0.00 -0.24 -4.37 117.46 117.98 3mhf n PHE 26 Ca 0.05 -1.98 0.09 0.00 -0.00 0.00 0.00 57.45 55.62 3mhf n PHE 26 Cb 0.48 0.64 0.34 0.00 -0.00 0.00 0.00 39.48 40.95 3mhf n PHE 26 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3mhf n ASP 27 N -0.99 4.61 -4.73 -2.13 3.85 -1.13 -4.32 116.55 111.71 3mhf n ASP 27 Ca -0.04 -2.42 -0.42 0.00 -0.71 0.00 0.00 54.79 51.19 3mhf n ASP 27 Cb 0.84 -0.56 -0.01 0.00 -1.35 0.00 0.00 41.12 40.04 3mhf n ASP 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mhf n GLN 28 N 1.07 2.49 0.00 0.11 3.00 -1.26 -4.53 117.38 118.26 3mhf n GLN 28 Ca 0.25 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 3mhf n GLN 28 Cb 0.86 -2.59 0.00 0.00 0.00 0.00 0.00 30.24 28.50 3mhf n GLN 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3mhf n ARG 29 N 1.37 0.00 -0.07 -1.09 1.74 -1.26 -4.62 116.66 112.73 3mhf n ARG 29 Ca 0.06 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.14 3mhf n ARG 29 Cb 0.36 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.07 3mhf n ARG 29 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3mhf h GLY 30 N 0.00 0.74 2.00 -0.13 0.00 -2.01 -2.73 103.07 100.95 3mhf h GLY 30 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3mhf h GLY 30 CO 0.00 0.37 -0.18 0.00 0.00 0.00 0.00 176.54 176.73 3mhf h ALA 31 N 1.48 1.42 0.15 3.60 0.00 -1.98 -2.58 119.26 121.35 3mhf h ALA 31 Ca 0.16 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 3mhf h ALA 31 Cb 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3mhf h ALA 31 CO -0.01 0.22 -1.46 1.25 0.00 0.00 0.00 179.25 179.25 3mhf h LEU 32 N 0.00 0.49 -1.67 0.00 5.85 -1.74 -3.01 115.31 115.23 3mhf h LEU 32 Ca -0.00 -0.90 -0.04 0.00 0.84 0.00 0.00 57.88 57.78 3mhf h LEU 32 Cb 0.38 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3mhf h LEU 32 CO 0.02 1.66 -0.19 0.07 -0.34 0.00 0.00 178.44 179.66 3mhf h LYS 33 N -0.16 0.00 -0.16 1.25 2.10 -1.49 -2.05 116.57 116.05 3mhf h LYS 33 Ca -0.30 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.18 3mhf h LYS 33 Cb 1.88 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.20 3mhf h LYS 33 CO 0.12 0.19 -0.60 0.00 -2.00 0.00 0.00 179.45 177.16 3mhf h ARG 34 N 0.00 0.55 -0.54 0.07 3.08 -1.55 -2.45 114.38 113.55 3mhf h ARG 34 Ca -0.00 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3mhf h ARG 34 Cb 0.41 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3mhf h ARG 34 CO 0.02 0.99 0.33 0.52 -1.07 0.00 0.00 179.97 180.77 3mhf h MET 35 N 0.41 0.72 -1.12 0.04 2.86 -1.26 -1.96 114.93 114.63 3mhf h MET 35 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3mhf h MET 35 Cb 1.16 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3mhf h MET 35 CO 0.11 0.50 0.00 -1.33 1.06 0.00 0.00 176.91 177.25 3mhf n MET 36 N -4.43 0.71 0.08 1.72 2.81 -0.83 -3.46 117.12 113.71 3mhf n MET 36 Ca 0.05 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.88 3mhf n MET 36 Cb 0.07 -1.21 -0.06 0.00 -0.71 0.00 0.00 33.22 31.30 3mhf n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mhf h ALA 37 N 1.91 0.47 -1.90 3.04 0.00 -1.43 -3.45 119.26 117.90 3mhf h ALA 37 Ca 0.00 -0.84 -0.65 0.00 0.00 0.00 0.00 54.91 53.42 3mhf h ALA 37 Cb 0.60 -0.15 0.04 0.00 0.00 0.00 0.00 17.79 18.29 3mhf h ALA 37 CO 0.00 1.16 0.73 1.04 0.00 0.00 0.00 179.25 182.17 3mhf n GLN 38 N -3.44 1.62 -2.93 0.00 6.02 -1.23 -2.74 117.38 114.68 3mhf n GLN 38 Ca -0.00 0.59 -0.03 0.00 -0.01 0.00 0.00 57.00 57.55 3mhf n GLN 38 Cb 0.88 -2.31 0.00 0.00 1.02 0.00 0.00 30.24 29.83 3mhf n GLN 38 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3mhf n HIS 39 N 3.85 -3.05 -0.99 1.08 8.25 -1.26 -4.81 115.22 118.30 3mhf n HIS 39 Ca 0.20 1.19 -0.29 0.00 -0.26 0.00 0.00 57.72 58.56 3mhf n HIS 39 Cb 0.23 -4.02 -0.03 0.00 1.12 0.00 0.00 29.99 27.29 3mhf n HIS 39 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3mhf n GLN 40 N -1.25 2.75 -2.02 -0.41 6.02 -1.11 -4.78 117.38 116.58 3mhf n GLN 40 Ca 0.04 -1.73 -0.40 0.00 -0.01 0.00 0.00 57.00 54.89 3mhf n GLN 40 Cb 0.48 -2.57 -0.02 0.00 1.02 0.00 0.00 30.24 29.15 3mhf n GLN 40 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3mhf n THR 41 N 3.83 3.12 -0.15 5.09 -1.04 -1.26 -4.83 114.28 119.04 3mhf n THR 41 Ca 0.59 -3.03 0.02 0.00 -2.04 0.00 0.00 64.05 59.58 3mhf n THR 41 Cb 0.21 -2.39 -0.01 0.00 -1.82 0.00 0.00 70.33 66.32 3mhf n THR 41 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3mhf n LYS 42 N 7.49 -0.32 -2.03 -2.82 4.76 -1.26 -4.85 118.16 119.13 3mhf n LYS 42 Ca 0.49 0.24 -0.42 0.00 -2.87 0.00 0.00 58.31 55.75 3mhf n LYS 42 Cb 0.43 -0.38 -0.03 0.00 -1.84 0.00 0.00 35.03 33.21 3mhf n LYS 42 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3mhf s GLU 43 N -1.97 4.26 0.14 1.97 2.12 -1.26 -4.92 118.70 119.05 3mhf s GLU 43 Ca 0.00 2.25 -0.34 0.00 0.36 0.00 0.00 54.97 57.24 3mhf s GLU 43 Cb 0.00 -3.18 -0.16 0.00 0.26 0.00 0.00 34.13 31.05 3mhf s GLU 43 CO 0.00 -0.52 1.18 -2.30 -0.54 0.00 0.00 175.26 173.08 3mhf n PRO 44 N 3.76 1.08 -2.85 4.30 -0.02 -1.26 -4.91 135.00 135.09 3mhf n PRO 44 Ca 0.12 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3mhf n PRO 44 Cb 0.40 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 3mhf n PRO 44 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3mhf s THR 45 N -0.04 4.28 0.43 3.45 2.01 -1.26 -4.93 115.64 119.56 3mhf s THR 45 Ca 0.76 1.73 0.14 0.00 0.31 0.00 0.00 61.69 64.64 3mhf s THR 45 Cb -0.90 -4.01 0.34 0.00 0.01 0.00 0.00 72.50 67.94 3mhf s THR 45 CO 0.51 0.19 1.95 0.58 -0.69 0.00 0.00 174.62 177.17 3mhf h VAL 46 N 2.70 0.87 -0.18 3.82 2.07 -1.99 0.32 116.25 123.86 3mhf h VAL 46 Ca -0.47 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3mhf h VAL 46 Cb 1.19 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3mhf h VAL 46 CO 0.65 0.08 0.05 -0.08 0.02 0.00 0.00 177.57 178.29 3mhf h GLU 47 N 0.44 0.28 -0.19 1.57 4.81 -1.98 -1.25 114.58 118.25 3mhf h GLU 47 Ca 0.32 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3mhf h GLU 47 Cb 0.64 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3mhf h GLU 47 CO -0.09 0.41 0.08 1.96 -0.73 0.00 0.00 179.01 180.63 3mhf h GLN 48 N 0.11 0.17 -0.40 1.92 4.20 -1.47 0.20 115.11 119.84 3mhf h GLN 48 Ca 0.06 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3mhf h GLN 48 Cb 0.25 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3mhf h GLN 48 CO -0.00 0.11 0.23 0.82 -0.67 0.00 0.00 178.83 179.32 3mhf h ILE 49 N 0.17 1.04 0.00 2.54 2.04 -0.99 -0.27 117.51 122.04 3mhf h ILE 49 Ca 0.08 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3mhf h ILE 49 Cb 0.04 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3mhf h ILE 49 CO -0.07 0.09 -0.29 -0.33 0.00 0.00 0.00 178.15 177.54 3mhf h GLU 50 N 0.47 0.00 0.09 2.37 5.08 -0.92 -2.69 114.58 118.97 3mhf h GLU 50 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3mhf h GLU 50 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3mhf h GLU 50 CO -0.08 0.29 -0.04 1.49 -1.00 0.00 0.00 179.01 179.67 3mhf h GLU 51 N 0.00 -0.11 -0.59 2.33 4.81 0.14 -2.26 114.58 118.89 3mhf h GLU 51 Ca -0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3mhf h GLU 51 Cb 0.59 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.93 3mhf h GLU 51 CO 0.04 0.42 0.23 1.25 -0.73 0.00 0.00 179.01 180.22 3mhf h LEU 52 N -0.87 0.25 -0.95 1.64 5.85 -1.11 0.53 115.31 120.66 3mhf h LEU 52 Ca -0.01 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3mhf h LEU 52 Cb 0.58 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 3mhf h LEU 52 CO 0.02 0.16 0.60 0.11 -0.34 0.00 0.00 178.44 178.99 3mhf h LYS 53 N 0.42 1.07 -0.41 1.25 1.57 -1.57 0.34 116.57 119.25 3mhf h LYS 53 Ca 0.29 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3mhf h LYS 53 Cb 0.33 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3mhf h LYS 53 CO -0.28 0.71 -0.10 0.77 -0.57 0.00 0.00 179.45 179.98 3mhf h SER 54 N 1.10 0.79 0.20 0.86 0.02 -0.19 0.02 113.55 116.36 3mhf h SER 54 Ca 0.41 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3mhf h SER 54 Cb 0.16 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3mhf h SER 54 CO -0.17 0.97 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.26 3mhf h LEU 55 N 0.60 -0.43 -0.83 5.07 3.38 0.45 0.95 115.31 124.50 3mhf h LEU 55 Ca 0.10 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3mhf h LEU 55 Cb 0.63 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3mhf h LEU 55 CO 0.04 -0.26 0.53 0.58 0.09 0.00 0.00 178.44 179.42 3mhf h VAL 56 N -0.38 1.10 -0.06 1.22 2.07 -0.94 -1.41 116.25 117.84 3mhf h VAL 56 Ca -0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3mhf h VAL 56 Cb 0.35 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3mhf h VAL 56 CO -0.02 0.18 0.02 -1.28 0.02 0.00 0.00 177.57 176.50 3mhf h SER 57 N 1.01 0.09 -0.60 0.57 0.87 -0.61 -0.75 113.55 114.13 3mhf h SER 57 Ca 0.34 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 3mhf h SER 57 Cb 0.06 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3mhf h SER 57 CO -0.13 0.26 0.05 -0.08 -0.53 0.00 0.00 176.83 176.40 3mhf h GLU 58 N -0.09 1.03 0.21 2.24 4.81 -0.63 -2.45 114.58 119.70 3mhf h GLU 58 Ca 0.02 -0.31 -0.32 0.00 -0.13 0.00 0.00 59.36 58.63 3mhf h GLU 58 Cb 0.20 -0.11 0.03 0.00 0.63 0.00 0.00 28.75 29.51 3mhf h GLU 58 CO -0.00 0.99 -1.41 0.93 -0.73 0.00 0.00 179.01 178.80 3mhf h GLU 59 N 0.93 0.45 0.00 1.92 4.39 -1.22 -3.40 114.58 117.66 3mhf h GLU 59 Ca 0.18 -0.77 -0.25 0.00 0.34 0.00 0.00 59.36 58.85 3mhf h GLU 59 Cb 0.50 0.29 -0.05 0.00 -0.10 0.00 0.00 28.75 29.39 3mhf h GLU 59 CO 0.02 1.37 -2.07 1.28 -1.16 0.00 0.00 179.01 178.46 3mhf n LEU 60 N -3.65 0.25 0.28 1.33 4.77 -0.29 -4.42 117.00 115.27 3mhf n LEU 60 Ca -0.14 0.11 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3mhf n LEU 60 Cb 1.08 0.29 0.84 0.00 -2.33 0.00 0.00 43.42 43.30 3mhf n LEU 60 CO 0.59 0.33 1.07 0.71 -1.33 0.00 0.00 177.39 178.75 3mhf h THR 61 N 0.00 0.55 0.00 -5.08 1.35 -1.57 0.11 112.91 108.28 3mhf h THR 61 Ca -0.35 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3mhf h THR 61 Cb 1.87 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3mhf h THR 61 CO 0.03 0.05 0.06 -0.65 -0.25 0.00 0.00 175.52 174.76 3mhf h PRO 62 N 0.00 0.00 -0.18 4.72 0.11 -1.80 -2.18 132.00 132.67 3mhf h PRO 62 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3mhf h PRO 62 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3mhf h PRO 62 CO 0.01 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.99 3mhf n PHE 63 N -2.34 0.24 -4.39 0.65 3.72 0.02 -4.99 117.46 110.37 3mhf n PHE 63 Ca -0.02 -0.50 -0.26 0.00 -0.05 0.00 0.00 57.45 56.62 3mhf n PHE 63 Cb 0.10 -0.04 -0.13 0.00 -0.94 0.00 0.00 39.48 38.47 3mhf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mhf s ALA 64 N -1.00 2.05 0.12 4.37 0.00 -0.82 -4.94 121.76 121.54 3mhf s ALA 64 Ca 0.12 -1.32 0.20 0.00 0.00 0.00 0.00 51.96 50.97 3mhf s ALA 64 Cb 0.06 -0.32 0.70 0.00 0.00 0.00 0.00 23.12 23.56 3mhf s ALA 64 CO 0.08 0.44 1.74 0.66 0.00 0.00 0.00 175.76 178.68 3mhf h SER 65 N 4.11 0.00 -5.15 0.00 4.64 -1.68 -3.41 113.55 112.07 3mhf h SER 65 Ca -0.48 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.95 3mhf h SER 65 Cb 1.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 3mhf h SER 65 CO 0.40 0.33 0.35 -0.94 -0.87 0.00 0.00 176.83 176.10 3mhf s SER 66 N -6.36 -0.18 -0.01 4.97 1.04 -1.25 -1.39 113.70 110.52 3mhf s SER 66 Ca 0.01 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.85 3mhf s SER 66 Cb 0.10 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3mhf s SER 66 CO 0.68 -1.20 -0.05 -0.51 0.98 0.00 0.00 173.24 173.13 3mhf s ILE 67 N -3.39 0.45 -0.26 -1.02 2.07 -0.56 -1.20 121.20 117.30 3mhf s ILE 67 Ca 0.13 -0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.05 3mhf s ILE 67 Cb -0.04 -0.41 -0.05 0.00 0.13 0.00 0.00 42.46 42.09 3mhf s ILE 67 CO 0.06 0.15 0.18 -0.22 -1.91 0.00 0.00 174.94 173.19 3mhf s LEU 68 N 0.10 4.06 0.33 8.50 2.96 0.13 -0.97 118.68 133.78 3mhf s LEU 68 Ca -0.01 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 3mhf s LEU 68 Cb -0.05 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 3mhf s LEU 68 CO -0.00 0.00 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.26 3mhf s LEU 69 N 1.43 2.50 -0.07 -0.68 1.43 -0.22 -1.07 118.68 122.00 3mhf s LEU 69 Ca 0.07 -1.29 -0.06 0.00 -1.03 0.00 0.00 54.13 51.83 3mhf s LEU 69 Cb -0.15 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 3mhf s LEU 69 CO 0.08 -0.43 0.18 1.51 0.23 0.00 0.00 176.35 177.92 3mhf s ASP 70 N -3.53 6.42 0.61 2.29 -4.77 -1.26 -1.24 116.67 115.19 3mhf s ASP 70 Ca 0.33 0.47 0.40 0.00 -3.30 0.00 0.00 52.55 50.45 3mhf s ASP 70 Cb 0.06 -2.06 2.01 0.00 -1.09 0.00 0.00 42.92 41.85 3mhf s ASP 70 CO 0.15 0.34 2.21 -0.65 0.70 0.00 0.00 175.17 177.92 3mhf h PRO 71 N 4.50 0.00 0.35 2.11 0.11 -1.94 -0.59 132.00 136.53 3mhf h PRO 71 Ca -0.52 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3mhf h PRO 71 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mhf h PRO 71 CO 0.62 0.00 -0.17 1.49 -0.21 0.00 0.00 178.00 179.74 3mhf h GLU 72 N 0.00 -0.45 0.00 1.05 4.81 -1.93 -3.40 114.58 114.66 3mhf h GLU 72 Ca 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3mhf h GLU 72 Cb 0.18 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3mhf h GLU 72 CO 0.00 -0.30 -1.82 0.66 -0.73 0.00 0.00 179.01 176.82 3mhf n TYR 73 N -3.75 0.00 1.53 0.92 4.01 -1.25 -4.74 117.16 113.88 3mhf n TYR 73 Ca -0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.81 3mhf n TYR 73 Cb 0.18 -0.42 0.55 0.00 -0.31 0.00 0.00 39.34 39.34 3mhf n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhf n GLY 74 N 1.51 -0.15 0.14 2.72 0.00 -0.23 -4.30 105.19 104.88 3mhf n GLY 74 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 3mhf n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mhf h LEU 75 N 1.77 0.37 -0.47 0.99 3.38 -1.78 -0.15 115.31 119.43 3mhf h LEU 75 Ca 0.00 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.76 3mhf h LEU 75 Cb 0.38 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3mhf h LEU 75 CO 0.00 0.55 0.17 -0.65 0.09 0.00 0.00 178.44 178.60 3mhf h PRO 76 N 0.18 0.34 -0.94 1.13 0.11 -1.93 -1.92 132.00 128.96 3mhf h PRO 76 Ca 0.07 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.29 3mhf h PRO 76 Cb 0.34 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.29 3mhf h PRO 76 CO 0.01 0.22 0.60 0.00 -0.21 0.00 0.00 178.00 178.62 3mhf h ALA 77 N 1.30 1.69 0.00 -0.75 0.00 -1.72 -1.80 119.26 117.98 3mhf h ALA 77 Ca 0.22 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3mhf h ALA 77 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mhf h ALA 77 CO -0.22 0.06 -0.35 0.66 0.00 0.00 0.00 179.25 179.40 3mhf h SER 78 N 0.82 0.00 1.37 0.00 4.64 -0.23 -2.66 113.55 117.49 3mhf h SER 78 Ca 0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.74 3mhf h SER 78 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3mhf h SER 78 CO -0.24 0.35 -0.24 0.03 -0.87 0.00 0.00 176.83 175.86 3mhf h ARG 79 N 0.00 0.00 -0.47 4.77 3.08 -1.01 -3.15 114.38 117.60 3mhf h ARG 79 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mhf h ARG 79 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3mhf h ARG 79 CO 0.05 0.24 0.00 1.33 -1.07 0.00 0.00 179.97 180.52 3mhf n VAL 80 N -3.24 0.61 -2.03 2.04 0.24 -1.01 -4.97 118.33 109.97 3mhf n VAL 80 Ca 0.02 -0.79 -0.35 0.00 -2.04 0.00 0.00 64.34 61.17 3mhf n VAL 80 Cb 0.54 0.84 0.03 0.00 -1.47 0.00 0.00 33.84 33.78 3mhf n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mhf s ARG 81 N -1.39 3.03 0.49 7.34 1.70 -1.15 -4.14 118.95 124.84 3mhf s ARG 81 Ca 0.41 1.67 -0.22 0.00 -0.47 0.00 0.00 55.73 57.13 3mhf s ARG 81 Cb 0.23 -1.95 -0.09 0.00 -0.57 0.00 0.00 34.95 32.57 3mhf s ARG 81 CO 0.32 -1.12 0.88 0.45 -1.08 0.00 0.00 175.30 174.75 3mhf n SER 82 N -1.68 0.59 0.00 -2.89 2.88 -1.26 -4.85 113.62 106.40 3mhf n SER 82 Ca 0.12 0.91 0.08 0.00 -1.33 0.00 0.00 58.87 58.65 3mhf n SER 82 Cb 0.51 -1.31 0.36 0.00 -0.75 0.00 0.00 64.21 63.01 3mhf n SER 82 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mhf n GLU 83 N -0.16 0.10 0.00 -1.46 1.02 -1.26 -2.23 120.64 116.65 3mhf n GLU 83 Ca 0.11 0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 3mhf n GLU 83 Cb 0.43 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.36 3mhf n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3mhf n GLU 84 N -1.41 0.19 -4.09 3.49 -0.58 -1.26 -4.91 120.64 112.08 3mhf n GLU 84 Ca 0.05 -0.15 -0.35 0.00 -0.42 0.00 0.00 57.16 56.29 3mhf n GLU 84 Cb 0.16 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.44 3mhf n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mhf s ALA 85 N -2.91 3.50 1.05 0.62 0.00 -0.95 -4.86 121.76 118.22 3mhf s ALA 85 Ca 0.11 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 3mhf s ALA 85 Cb 0.17 -1.79 0.24 0.00 0.00 0.00 0.00 23.12 21.73 3mhf s ALA 85 CO 0.77 0.43 1.26 0.20 0.00 0.00 0.00 175.76 178.43 3mhf s GLY 86 N -0.42 1.73 -0.03 0.00 0.00 -0.48 -4.83 107.32 103.27 3mhf s GLY 86 Ca 0.10 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.67 3mhf s GLY 86 CO 0.02 -0.33 -0.02 -2.27 0.00 0.00 0.00 173.10 170.50 3mhf s LEU 87 N -6.26 1.25 -0.00 0.66 2.96 -1.26 -1.49 118.68 114.52 3mhf s LEU 87 Ca 0.74 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 3mhf s LEU 87 Cb -0.05 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.32 3mhf s LEU 87 CO 0.54 -0.08 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.61 3mhf s LEU 88 N 0.95 2.91 -0.06 -0.68 1.02 -0.15 0.71 118.68 123.38 3mhf s LEU 88 Ca -0.11 -0.23 0.06 0.00 0.02 0.00 0.00 54.13 53.87 3mhf s LEU 88 Cb -0.14 -1.67 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 3mhf s LEU 88 CO -0.01 0.29 -0.24 -0.76 0.02 0.00 0.00 176.35 175.66 3mhf s LEU 89 N -1.23 2.13 0.31 1.79 1.43 -0.87 -1.05 118.68 121.19 3mhf s LEU 89 Ca 0.15 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 3mhf s LEU 89 Cb -0.11 -1.39 -0.10 0.00 0.03 0.00 0.00 46.19 44.62 3mhf s LEU 89 CO 0.05 0.24 1.16 0.00 0.23 0.00 0.00 176.35 178.03 3mhf s ALA 90 N -0.11 3.40 -0.04 4.21 0.00 -0.37 -1.38 121.76 127.46 3mhf s ALA 90 Ca -0.05 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.00 3mhf s ALA 90 Cb -0.14 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 3mhf s ALA 90 CO 0.04 -0.34 0.19 0.98 0.00 0.00 0.00 175.76 176.64 3mhf n TYR 91 N 0.93 0.00 -3.50 0.00 9.36 0.55 -4.34 117.16 120.16 3mhf n TYR 91 Ca -0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 3mhf n TYR 91 Cb 0.44 -0.17 -0.05 0.00 -0.63 0.00 0.00 39.34 38.93 3mhf n TYR 91 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3mhf s GLU 92 N -2.50 3.74 0.35 2.98 1.03 -1.26 -0.77 118.70 122.27 3mhf s GLU 92 Ca -0.03 0.15 -0.27 0.00 0.03 0.00 0.00 54.97 54.85 3mhf s GLU 92 Cb 0.05 -2.71 -0.09 0.00 -0.80 0.00 0.00 34.13 30.58 3mhf s GLU 92 CO 0.34 0.36 1.24 0.15 -1.33 0.00 0.00 175.26 176.02 3mhf s LYS 93 N -2.79 4.26 0.59 -4.83 1.02 -0.11 -4.65 119.74 113.23 3mhf s LYS 93 Ca 0.45 2.05 -0.17 0.00 0.02 0.00 0.00 55.97 58.32 3mhf s LYS 93 Cb -0.11 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3mhf s LYS 93 CO 0.23 -0.21 1.10 0.95 -0.92 0.00 0.00 175.35 176.49 3mhf s THR 94 N -1.23 3.37 0.00 2.17 -4.23 -1.26 -4.85 115.64 109.61 3mhf s THR 94 Ca 0.52 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.75 3mhf s THR 94 Cb -0.36 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3mhf s THR 94 CO 0.47 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 3mhf n GLY 95 N -0.36 -1.18 3.48 3.99 0.00 -1.26 -5.02 105.19 104.85 3mhf n GLY 95 Ca 0.10 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 3mhf n GLY 95 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mhf s TYR 96 N 0.00 -0.46 -0.19 1.61 -0.85 -1.26 -5.03 117.35 111.17 3mhf s TYR 96 Ca 0.00 0.20 -0.29 0.00 -0.52 0.00 0.00 57.07 56.46 3mhf s TYR 96 Cb 0.00 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.88 3mhf s TYR 96 CO 0.00 -0.90 1.39 0.34 -1.52 0.00 0.00 175.55 174.87 3mhf s ASP 97 N -2.78 6.73 0.41 -0.18 -1.08 -1.26 -4.90 116.67 113.62 3mhf s ASP 97 Ca 0.03 1.64 0.22 0.00 -0.52 0.00 0.00 52.55 53.92 3mhf s ASP 97 Cb -0.02 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.66 3mhf s ASP 97 CO -0.10 -0.95 1.75 0.00 0.52 0.00 0.00 175.17 176.39 3mhf h ALA 98 N 9.13 0.96 -0.46 3.66 0.00 -2.04 -3.16 119.26 127.35 3mhf h ALA 98 Ca -0.30 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3mhf h ALA 98 Cb 1.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3mhf h ALA 98 CO 0.99 0.33 0.07 1.15 0.00 0.00 0.00 179.25 181.79 3mhf h THR 99 N 0.00 1.22 -1.26 0.00 2.02 -2.08 -3.45 112.91 109.36 3mhf h THR 99 Ca -0.00 -0.81 -0.57 0.00 0.77 0.00 0.00 66.41 65.80 3mhf h THR 99 Cb 0.87 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 3mhf h THR 99 CO 0.03 0.29 -0.44 0.42 0.37 0.00 0.00 175.52 176.20 3mhf s THR 100 N -5.11 2.12 -1.24 3.16 -4.23 -1.20 -5.05 115.64 104.09 3mhf s THR 100 Ca -0.09 -1.63 0.11 0.00 -1.18 0.00 0.00 61.69 58.90 3mhf s THR 100 Cb 0.15 -2.75 0.17 0.00 1.34 0.00 0.00 72.50 71.42 3mhf s THR 100 CO 0.79 0.00 1.01 0.35 -0.54 0.00 0.00 174.62 176.23 3mhf n THR 101 N -1.39 0.37 0.07 3.99 -2.24 -1.26 -4.63 114.28 109.19 3mhf n THR 101 Ca -0.02 -0.69 -0.05 0.00 -2.27 0.00 0.00 64.05 61.02 3mhf n THR 101 Cb 0.64 0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 69.75 3mhf n THR 101 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3mhf h SER 102 N 2.16 0.00 -7.01 3.42 4.64 -1.97 -3.45 113.55 111.34 3mhf h SER 102 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3mhf h SER 102 Cb 0.57 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.57 3mhf h SER 102 CO 0.00 0.88 -0.99 0.54 -0.87 0.00 0.00 176.83 176.40 3mhf n ARG 103 N -3.30 -0.48 -2.25 4.77 1.74 -1.26 -4.86 116.66 111.02 3mhf n ARG 103 Ca -0.01 0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 3mhf n ARG 103 Cb 0.90 -2.82 -0.02 0.00 -1.02 0.00 0.00 32.46 29.49 3mhf n ARG 103 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mhf s LEU 104 N -7.43 4.31 0.65 0.55 1.43 -1.26 -4.53 118.68 112.39 3mhf s LEU 104 Ca 0.30 2.46 -0.11 0.00 -1.03 0.00 0.00 54.13 55.75 3mhf s LEU 104 Cb -0.17 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 3mhf s LEU 104 CO 0.97 -0.58 1.04 -2.16 0.23 0.00 0.00 176.35 175.85 3mhf s PRO 105 N -2.04 3.34 -0.30 1.29 0.04 -1.26 -5.00 135.00 131.07 3mhf s PRO 105 Ca 0.53 0.86 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 3mhf s PRO 105 Cb -0.34 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.30 3mhf s PRO 105 CO 0.44 -0.78 0.73 0.34 0.04 0.00 0.00 177.00 177.76 3mhf s ASP 106 N -3.93 -1.04 0.59 6.66 2.15 -1.26 -5.09 116.67 114.73 3mhf s ASP 106 Ca 0.57 1.25 -0.18 0.00 0.43 0.00 0.00 52.55 54.61 3mhf s ASP 106 Cb -0.12 2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 44.57 3mhf s ASP 106 CO 0.53 -0.20 1.15 0.00 -0.17 0.00 0.00 175.17 176.48 3mhf n LEU 108 N -1.63 2.48 -0.28 0.00 4.77 0.05 -4.63 117.00 117.77 3mhf n LEU 108 Ca 0.12 1.08 0.09 0.00 -0.03 0.00 0.00 56.01 57.27 3mhf n LEU 108 Cb 0.51 -1.28 0.24 0.00 -2.33 0.00 0.00 43.42 40.56 3mhf n LEU 108 CO 0.44 -0.56 0.96 0.44 -1.33 0.00 0.00 177.39 177.34 3mhf h ASP 109 N 6.17 0.08 -0.60 -1.43 3.32 -1.92 -1.93 116.42 120.11 3mhf h ASP 109 Ca -0.47 0.16 -0.17 0.00 0.02 0.00 0.00 57.03 56.57 3mhf h ASP 109 Cb 1.30 0.20 -0.10 0.00 0.22 0.00 0.00 39.33 40.95 3mhf h ASP 109 CO 0.87 -0.06 0.17 1.33 -1.72 0.00 0.00 179.24 179.83 3mhf n VAL 110 N -5.15 2.77 -4.44 -1.35 0.24 -1.26 -4.97 118.33 104.17 3mhf n VAL 110 Ca 0.18 -1.85 -0.26 0.00 -2.04 0.00 0.00 64.34 60.38 3mhf n VAL 110 Cb 0.56 -0.33 -0.11 0.00 -1.47 0.00 0.00 33.84 32.49 3mhf n VAL 110 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3mhf s TRP 111 N -3.01 2.28 0.17 6.34 0.52 -0.73 -5.04 118.94 119.46 3mhf s TRP 111 Ca 0.51 -0.35 -0.08 0.00 0.02 0.00 0.00 56.10 56.20 3mhf s TRP 111 Cb 0.42 -1.08 -0.01 0.00 -1.15 0.00 0.00 33.47 31.65 3mhf s TRP 111 CO 0.11 0.57 0.25 -1.54 0.02 0.00 0.00 176.95 176.36 3mhf s SER 112 N -2.97 0.08 0.31 2.95 1.04 -1.26 -4.82 113.70 109.03 3mhf s SER 112 Ca 0.24 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.73 3mhf s SER 112 Cb -0.07 0.42 0.54 0.00 0.10 0.00 0.00 66.02 67.01 3mhf s SER 112 CO 0.11 -0.88 1.94 0.00 0.98 0.00 0.00 173.24 175.39 3mhf h ALA 113 N 2.58 1.51 -0.50 5.32 0.00 -1.96 -0.53 119.26 125.68 3mhf h ALA 113 Ca -0.32 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3mhf h ALA 113 Cb 1.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3mhf h ALA 113 CO 0.49 0.38 0.29 -0.22 0.00 0.00 0.00 179.25 180.20 3mhf h LYS 114 N 1.01 0.56 -0.33 0.00 3.64 -1.96 -0.75 116.57 118.75 3mhf h LYS 114 Ca 0.35 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 3mhf h LYS 114 Cb 0.10 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3mhf h LYS 114 CO -0.11 0.37 -0.24 0.00 -2.27 0.00 0.00 179.45 177.20 3mhf h ARG 115 N 0.58 0.64 -0.42 1.90 3.08 -1.73 0.20 114.38 118.63 3mhf h ARG 115 Ca 0.20 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3mhf h ARG 115 Cb 0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3mhf h ARG 115 CO -0.10 0.82 0.26 0.82 -1.07 0.00 0.00 179.97 180.71 3mhf h ILE 116 N 0.56 1.12 -0.52 2.04 2.04 -0.78 0.24 117.51 122.22 3mhf h ILE 116 Ca 0.08 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3mhf h ILE 116 Cb 0.71 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3mhf h ILE 116 CO 0.05 0.12 0.21 0.50 0.00 0.00 0.00 178.15 179.03 3mhf h LYS 117 N 0.56 0.79 0.00 2.37 3.64 -0.84 -2.27 116.57 120.81 3mhf h LYS 117 Ca 0.15 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3mhf h LYS 117 Cb -0.03 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3mhf h LYS 117 CO -0.03 0.69 -0.07 0.93 -2.27 0.00 0.00 179.45 178.71 3mhf h GLU 118 N 0.71 0.00 0.00 1.90 5.08 -0.65 -1.13 114.58 120.49 3mhf h GLU 118 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3mhf h GLU 118 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3mhf h GLU 118 CO -0.01 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 3mhf n ALA 119 N -2.36 2.54 0.00 3.43 0.00 0.05 -4.89 120.51 119.27 3mhf n ALA 119 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3mhf n ALA 119 Cb 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3mhf n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhf n GLY 120 N 0.85 0.64 3.77 0.00 0.00 -0.43 -5.07 105.19 104.95 3mhf n GLY 120 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3mhf n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhf s ALA 121 N -2.00 3.01 -2.69 4.61 0.00 -1.11 -4.80 121.76 118.78 3mhf s ALA 121 Ca 0.00 0.95 0.24 0.00 0.00 0.00 0.00 51.96 53.15 3mhf s ALA 121 Cb 0.00 -3.39 0.40 0.00 0.00 0.00 0.00 23.12 20.14 3mhf s ALA 121 CO 0.00 -0.64 1.38 0.39 0.00 0.00 0.00 175.76 176.89 3mhf n GLU 122 N -0.37 2.31 -3.55 0.00 4.71 0.22 -4.68 120.64 119.28 3mhf n GLU 122 Ca 0.07 -1.94 -0.15 0.00 -0.01 0.00 0.00 57.16 55.12 3mhf n GLU 122 Cb 0.48 -1.48 -0.06 0.00 -1.01 0.00 0.00 31.44 29.37 3mhf n GLU 122 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mhf s ALA 123 N -1.77 -1.82 -0.22 0.62 0.00 -1.11 -4.10 121.76 113.36 3mhf s ALA 123 Ca 0.34 1.47 -0.14 0.00 0.00 0.00 0.00 51.96 53.62 3mhf s ALA 123 Cb 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3mhf s ALA 123 CO 0.31 -0.35 0.32 0.08 0.00 0.00 0.00 175.76 176.12 3mhf s VAL 124 N -0.99 5.24 -0.12 0.00 1.01 -0.57 -2.06 120.40 122.91 3mhf s VAL 124 Ca -0.07 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 3mhf s VAL 124 Cb -0.01 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3mhf s VAL 124 CO 0.07 0.27 -0.03 -0.75 0.00 0.00 0.00 175.10 174.65 3mhf s LYS 125 N 1.32 3.33 -0.04 2.72 2.36 -0.48 -0.33 119.74 128.62 3mhf s LYS 125 Ca 0.15 -0.49 0.00 0.00 -2.55 0.00 0.00 55.97 53.08 3mhf s LYS 125 Cb -0.14 -2.83 0.03 0.00 -1.05 0.00 0.00 37.83 33.83 3mhf s LYS 125 CO 0.07 0.44 -0.01 0.12 1.55 0.00 0.00 175.35 177.52 3mhf s PHE 126 N -0.18 0.47 -0.17 4.03 2.19 -0.44 -0.33 117.98 123.54 3mhf s PHE 126 Ca 0.04 -0.07 -0.17 0.00 0.33 0.00 0.00 56.93 57.06 3mhf s PHE 126 Cb -0.13 -0.53 -0.04 0.00 -1.31 0.00 0.00 43.02 41.01 3mhf s PHE 126 CO 0.02 -0.17 0.42 -1.17 1.83 0.00 0.00 175.22 176.16 3mhf s LEU 127 N 1.14 4.20 -0.09 6.12 0.20 -1.26 -0.62 118.68 128.37 3mhf s LEU 127 Ca -0.08 0.62 0.03 0.00 0.69 0.00 0.00 54.13 55.39 3mhf s LEU 127 Cb -0.14 -2.58 0.01 0.00 -0.43 0.00 0.00 46.19 43.06 3mhf s LEU 127 CO -0.02 -0.05 -0.18 -0.22 -0.29 0.00 0.00 176.35 175.60 3mhf s LEU 128 N 1.06 1.85 -0.09 -0.68 2.96 0.30 -4.91 118.68 119.18 3mhf s LEU 128 Ca 0.21 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.44 3mhf s LEU 128 Cb -0.15 -1.14 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 3mhf s LEU 128 CO 0.08 0.08 0.72 -0.31 -1.32 0.00 0.00 176.35 175.60 3mhf s TYR 129 N 0.64 3.54 -0.04 5.38 1.51 -1.26 -1.74 117.35 125.38 3mhf s TYR 129 Ca -0.14 1.23 0.01 0.00 -1.01 0.00 0.00 57.07 57.16 3mhf s TYR 129 Cb -0.16 -2.84 0.02 0.00 -0.11 0.00 0.00 41.96 38.87 3mhf s TYR 129 CO 0.04 0.01 -0.02 -0.47 -1.11 0.00 0.00 175.55 174.01 3mhf s TYR 130 N 1.10 0.47 -0.36 2.71 5.04 -0.77 -4.93 117.35 120.61 3mhf s TYR 130 Ca 0.37 -0.08 -0.02 0.00 -2.44 0.00 0.00 57.07 54.91 3mhf s TYR 130 Cb -0.17 -0.51 0.09 0.00 0.35 0.00 0.00 41.96 41.71 3mhf s TYR 130 CO 0.17 -0.16 0.12 0.34 -1.34 0.00 0.00 175.55 174.68 3mhf s ASP 131 N 1.00 5.09 0.58 4.32 2.15 -1.26 -3.02 116.67 125.53 3mhf s ASP 131 Ca -0.10 -1.76 0.30 0.00 0.43 0.00 0.00 52.55 51.42 3mhf s ASP 131 Cb -0.14 -1.77 1.44 0.00 -0.30 0.00 0.00 42.92 42.15 3mhf s ASP 131 CO -0.01 -0.43 1.84 -0.29 -0.17 0.00 0.00 175.17 176.11 3mhf h ILE 132 N 6.42 0.37 -0.12 4.11 6.09 -1.84 0.16 117.51 132.70 3mhf h ILE 132 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3mhf h ILE 132 Cb 1.05 0.54 0.00 0.00 0.47 0.00 0.00 36.82 38.88 3mhf h ILE 132 CO 0.62 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.17 3mhf n ASP 133 N -3.82 3.11 -2.02 2.19 8.00 -1.26 -4.99 116.55 117.76 3mhf n ASP 133 Ca 0.13 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3mhf n ASP 133 Cb 0.84 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 3mhf n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhf n GLY 134 N 1.38 -1.10 3.63 0.44 0.00 0.04 -4.94 105.19 104.64 3mhf n GLY 134 Ca 0.15 -1.67 -0.49 0.00 0.00 0.00 0.00 46.02 44.01 3mhf n GLY 134 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mhf n ASP 135 N -2.93 2.33 -0.01 1.61 -0.08 -1.26 -4.87 116.55 111.34 3mhf n ASP 135 Ca 0.00 1.10 -0.04 0.00 -1.51 0.00 0.00 54.79 54.34 3mhf n ASP 135 Cb 0.00 -1.30 0.18 0.00 2.34 0.00 0.00 41.12 42.34 3mhf n ASP 135 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3mhf h GLN 136 N 5.20 0.55 -0.07 -0.67 4.15 -1.97 -1.55 115.11 120.75 3mhf h GLN 136 Ca -0.46 -0.20 -0.22 0.00 0.77 0.00 0.00 58.65 58.53 3mhf h GLN 136 Cb 1.30 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.96 3mhf h GLN 136 CO 0.83 0.74 -0.85 -0.44 -1.93 0.00 0.00 178.83 177.18 3mhf h ASP 137 N 0.49 0.74 -0.55 -0.69 3.32 -1.99 -1.22 116.42 116.52 3mhf h ASP 137 Ca 0.07 -0.53 0.01 0.00 0.02 0.00 0.00 57.03 56.61 3mhf h ASP 137 Cb 0.66 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3mhf h ASP 137 CO 0.05 1.31 0.36 0.58 -1.72 0.00 0.00 179.24 179.82 3mhf h VAL 138 N 0.38 1.12 0.00 -1.35 2.07 -1.88 -1.19 116.25 115.40 3mhf h VAL 138 Ca -0.07 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 3mhf h VAL 138 Cb 1.48 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3mhf h VAL 138 CO 0.16 0.13 -0.42 0.78 0.02 0.00 0.00 177.57 178.24 3mhf h ASN 139 N 0.72 0.00 -0.32 0.57 2.35 -1.19 -1.12 115.58 116.59 3mhf h ASN 139 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3mhf h ASN 139 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3mhf h ASN 139 CO -0.05 0.42 0.09 -0.08 -1.65 0.00 0.00 177.43 176.16 3mhf h GLU 140 N 0.00 0.50 -0.92 0.81 4.57 -0.65 0.04 114.58 118.92 3mhf h GLU 140 Ca -0.00 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3mhf h GLU 140 Cb 0.79 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 3mhf h GLU 140 CO 0.05 0.55 0.55 0.37 -1.18 0.00 0.00 179.01 179.36 3mhf h GLN 141 N 0.35 1.26 -0.43 1.92 4.15 -0.85 -0.97 115.11 120.53 3mhf h GLN 141 Ca 0.10 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 3mhf h GLN 141 Cb 0.27 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3mhf h GLN 141 CO -0.00 0.88 -0.09 0.87 -1.93 0.00 0.00 178.83 178.57 3mhf h LYS 142 N 1.27 0.82 -0.44 1.69 1.57 -0.99 -1.54 116.57 118.96 3mhf h LYS 142 Ca 0.33 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3mhf h LYS 142 Cb -0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3mhf h LYS 142 CO -0.06 0.93 0.12 0.87 -0.57 0.00 0.00 179.45 180.74 3mhf h LYS 143 N 0.65 0.69 -0.54 3.15 1.57 -0.74 -1.83 116.57 119.53 3mhf h LYS 143 Ca 0.11 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3mhf h LYS 143 Cb 0.62 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 3mhf h LYS 143 CO 0.04 0.69 0.30 0.00 -0.57 0.00 0.00 179.45 179.91 3mhf h ALA 144 N 0.97 0.69 -0.74 3.86 0.00 -1.12 -1.32 119.26 121.60 3mhf h ALA 144 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3mhf h ALA 144 Cb 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3mhf h ALA 144 CO -0.00 -0.01 0.48 -0.92 0.00 0.00 0.00 179.25 178.80 3mhf h TYR 145 N 0.59 0.92 -0.32 0.00 3.20 -0.93 -1.94 116.97 118.48 3mhf h TYR 145 Ca 0.23 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 3mhf h TYR 145 Cb 0.08 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 3mhf h TYR 145 CO -0.08 0.57 -0.34 0.82 -1.64 0.00 0.00 178.16 177.49 3mhf h ILE 146 N 0.98 1.28 -0.62 1.81 1.08 -1.10 -2.55 117.51 118.41 3mhf h ILE 146 Ca 0.27 -1.49 0.09 0.00 -0.39 0.00 0.00 64.86 63.35 3mhf h ILE 146 Cb -0.10 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 34.98 3mhf h ILE 146 CO -0.07 0.48 0.25 -0.33 -0.69 0.00 0.00 178.15 177.79 3mhf h GLU 147 N 0.60 0.42 -0.52 2.37 5.08 -0.72 0.82 114.58 122.64 3mhf h GLU 147 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3mhf h GLU 147 Cb 0.86 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3mhf h GLU 147 CO 0.07 0.28 0.29 0.00 -1.00 0.00 0.00 179.01 178.66 3mhf h ARG 148 N 0.44 0.72 -0.33 2.33 3.08 -0.98 0.69 114.38 120.33 3mhf h ARG 148 Ca 0.31 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 3mhf h ARG 148 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3mhf h ARG 148 CO -0.30 0.55 -0.28 0.82 -1.07 0.00 0.00 179.97 179.69 3mhf h ILE 149 N 0.69 1.29 -0.92 2.04 2.04 -1.10 -0.15 117.51 121.41 3mhf h ILE 149 Ca 0.18 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.64 3mhf h ILE 149 Cb 0.03 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3mhf h ILE 149 CO -0.03 0.47 0.59 1.23 0.00 0.00 0.00 178.15 180.41 3mhf h GLY 150 N 0.55 1.35 0.91 5.37 0.00 -0.66 -0.95 103.07 109.64 3mhf h GLY 150 Ca 0.06 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3mhf h GLY 150 CO 0.07 0.37 0.06 1.76 0.00 0.00 0.00 176.54 178.79 3mhf h SER 151 N 1.13 0.53 -0.52 0.19 0.02 -0.54 -2.25 113.55 112.12 3mhf h SER 151 Ca 0.37 -0.26 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 3mhf h SER 151 Cb 0.04 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 3mhf h SER 151 CO -0.13 0.66 0.13 -0.33 -1.14 0.00 0.00 176.83 176.01 3mhf h GLU 152 N 0.39 0.26 -0.24 3.45 5.08 -0.37 -1.50 114.58 121.65 3mhf h GLU 152 Ca 0.10 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3mhf h GLU 152 Cb 0.35 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3mhf h GLU 152 CO 0.01 0.17 -0.33 0.00 -1.00 0.00 0.00 179.01 177.86 3mhf h ARG 154 N 0.43 0.42 -0.55 0.00 2.43 -0.93 0.94 114.38 117.13 3mhf h ARG 154 Ca 0.05 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3mhf h ARG 154 Cb 0.78 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3mhf h ARG 154 CO 0.06 0.28 0.04 0.00 -1.51 0.00 0.00 179.97 178.84 3mhf h ALA 155 N 1.17 0.74 -0.01 2.80 0.00 -0.64 -2.32 119.26 121.00 3mhf h ALA 155 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mhf h ALA 155 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3mhf h ALA 155 CO -0.07 0.53 -0.08 0.39 0.00 0.00 0.00 179.25 180.02 3mhf n GLU 156 N -4.30 0.97 -3.55 0.00 -0.58 -0.25 -4.94 120.64 108.00 3mhf n GLU 156 Ca 0.02 -0.37 -0.20 0.00 -0.42 0.00 0.00 57.16 56.19 3mhf n GLU 156 Cb 0.31 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 29.74 3mhf n GLU 156 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3mhf n ASP 157 N -0.69 -2.53 -3.92 1.62 2.03 0.17 -5.01 116.55 108.22 3mhf n ASP 157 Ca 0.17 -0.76 -0.20 0.00 0.52 0.00 0.00 54.79 54.52 3mhf n ASP 157 Cb 0.27 -4.51 -0.16 0.00 -0.72 0.00 0.00 41.12 36.00 3mhf n ASP 157 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3mhf s ILE 158 N -3.52 0.59 0.30 5.18 2.07 -0.29 -4.22 121.20 121.31 3mhf s ILE 158 Ca 0.10 -0.18 -0.28 0.00 -1.41 0.00 0.00 60.65 58.88 3mhf s ILE 158 Cb -0.02 -0.59 -0.14 0.00 0.13 0.00 0.00 42.46 41.85 3mhf s ILE 158 CO 0.78 0.22 1.11 -2.65 -1.91 0.00 0.00 174.94 172.49 3mhf n PRO 159 N 3.83 1.59 -3.77 3.50 -0.02 -1.26 -4.57 135.00 134.31 3mhf n PRO 159 Ca -0.24 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 3mhf n PRO 159 Cb 0.52 -2.00 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 3mhf n PRO 159 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3mhf s PHE 160 N -1.02 3.19 -0.43 6.00 5.36 -1.26 -1.51 117.98 128.30 3mhf s PHE 160 Ca 0.58 -1.22 -0.16 0.00 -0.96 0.00 0.00 56.93 55.17 3mhf s PHE 160 Cb -0.66 -2.25 0.04 0.00 -0.34 0.00 0.00 43.02 39.80 3mhf s PHE 160 CO 0.60 -0.66 0.37 0.71 -1.46 0.00 0.00 175.22 174.79 3mhf s TYR 161 N 1.44 3.21 -0.28 10.12 1.51 0.56 -1.17 117.35 132.75 3mhf s TYR 161 Ca 0.00 -0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 55.29 3mhf s TYR 161 Cb -0.18 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 38.78 3mhf s TYR 161 CO 0.02 -0.69 0.41 -1.17 -1.11 0.00 0.00 175.55 173.01 3mhf s LEU 162 N 1.83 4.10 -0.18 -1.29 2.96 -0.52 -1.33 118.68 124.25 3mhf s LEU 162 Ca 0.07 0.26 -0.14 0.00 -0.22 0.00 0.00 54.13 54.09 3mhf s LEU 162 Cb -0.20 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 3mhf s LEU 162 CO 0.10 -0.24 0.32 -0.70 -1.32 0.00 0.00 176.35 174.51 3mhf s GLU 163 N 2.14 4.22 -0.19 1.98 2.12 0.21 -0.49 118.70 128.69 3mhf s GLU 163 Ca 0.16 0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 3mhf s GLU 163 Cb -0.16 -3.47 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 3mhf s GLU 163 CO 0.10 0.13 -0.10 0.42 -0.54 0.00 0.00 175.26 175.27 3mhf s ILE 164 N 0.80 2.99 -0.23 -3.70 1.01 -0.53 -0.54 121.20 121.00 3mhf s ILE 164 Ca 0.17 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3mhf s ILE 164 Cb -0.14 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 3mhf s ILE 164 CO 0.06 0.47 0.02 -0.76 0.00 0.00 0.00 174.94 174.73 3mhf s LEU 165 N 1.19 3.23 0.49 2.97 1.43 -0.71 -4.19 118.68 123.10 3mhf s LEU 165 Ca 0.02 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 3mhf s LEU 165 Cb -0.14 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3mhf s LEU 165 CO -0.04 -0.02 0.86 0.42 0.23 0.00 0.00 176.35 177.81 3mhf s THR 166 N 1.50 4.77 0.38 5.49 -4.23 -1.26 -1.84 115.64 120.45 3mhf s THR 166 Ca 0.06 0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 3mhf s THR 166 Cb -0.15 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 69.93 3mhf s THR 166 CO 0.01 -0.79 0.68 -0.72 -0.54 0.00 0.00 174.62 173.26 3mhf s TYR 167 N -2.71 0.48 -0.08 3.99 -0.85 -1.17 -4.88 117.35 112.13 3mhf s TYR 167 Ca 0.52 -1.01 0.01 0.00 -0.52 0.00 0.00 57.07 56.07 3mhf s TYR 167 Cb -0.10 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.77 3mhf s TYR 167 CO 0.41 -1.44 -0.08 0.34 -1.52 0.00 0.00 175.55 173.26 3mhf s ASP 168 N -3.14 1.78 0.45 -0.18 -1.08 -1.26 -4.31 116.67 108.93 3mhf s ASP 168 Ca 0.21 -0.25 0.25 0.00 -0.52 0.00 0.00 52.55 52.24 3mhf s ASP 168 Cb -0.03 -0.73 1.27 0.00 -1.46 0.00 0.00 42.92 41.97 3mhf s ASP 168 CO 0.15 -0.07 1.78 -0.33 0.52 0.00 0.00 175.17 177.23 3mhf h GLU 169 N 7.63 0.24 -0.28 4.34 5.08 -1.96 -1.72 114.58 127.90 3mhf h GLU 169 Ca -0.31 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3mhf h GLU 169 Cb 1.15 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3mhf h GLU 169 CO 0.43 0.16 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 3mhf n LYS 170 N -4.48 2.13 -4.00 2.33 5.02 -1.26 -4.84 118.16 113.07 3mhf n LYS 170 Ca 0.25 -1.98 -0.33 0.00 -2.02 0.00 0.00 58.31 54.23 3mhf n LYS 170 Cb 1.01 -1.39 -0.14 0.00 -0.02 0.00 0.00 35.03 34.48 3mhf n LYS 170 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mhf s ILE 171 N -1.28 2.53 0.07 -0.18 1.01 -0.65 -5.01 121.20 117.69 3mhf s ILE 171 Ca 0.29 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 3mhf s ILE 171 Cb 0.17 -2.45 -0.18 0.00 0.01 0.00 0.00 42.46 40.02 3mhf s ILE 171 CO 0.24 -0.03 1.65 0.00 0.00 0.00 0.00 174.94 176.80 3mhf h ALA 172 N 7.88 -0.67 -2.41 9.38 0.00 -1.88 -3.41 119.26 128.14 3mhf h ALA 172 Ca -0.21 -0.15 -0.64 0.00 0.00 0.00 0.00 54.91 53.91 3mhf h ALA 172 Cb 1.05 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 3mhf h ALA 172 CO 0.50 -0.87 -0.01 0.34 0.00 0.00 0.00 179.25 179.21 3mhf s ASP 173 N -4.61 6.34 0.59 0.00 -1.08 -1.26 -4.93 116.67 111.72 3mhf s ASP 173 Ca -0.16 0.01 0.30 0.00 -0.52 0.00 0.00 52.55 52.18 3mhf s ASP 173 Cb 0.04 -2.28 1.83 0.00 -1.46 0.00 0.00 42.92 41.04 3mhf s ASP 173 CO 0.63 -0.51 2.25 -1.13 0.52 0.00 0.00 175.17 176.93 3mhf h ASN 174 N 8.46 0.00 -0.26 -0.34 -1.24 -1.98 -2.59 115.58 117.63 3mhf h ASN 174 Ca -0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.74 3mhf h ASN 174 Cb 1.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.17 3mhf h ASN 174 CO 0.79 0.01 0.00 0.00 -1.29 0.00 0.00 177.43 176.94 3mhf n ALA 175 N -2.31 2.45 -1.63 1.57 0.00 -1.26 -4.67 120.51 114.66 3mhf n ALA 175 Ca -0.03 -0.83 -0.34 0.00 0.00 0.00 0.00 53.44 52.24 3mhf n ALA 175 Cb 0.09 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.66 3mhf n ALA 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mhf s SER 176 N -1.64 5.48 0.41 0.00 1.04 -0.98 -4.89 113.70 113.12 3mhf s SER 176 Ca 0.35 2.02 0.09 0.00 0.48 0.00 0.00 55.95 58.89 3mhf s SER 176 Cb 0.21 -2.56 0.89 0.00 0.10 0.00 0.00 66.02 64.66 3mhf s SER 176 CO 0.31 -1.37 2.01 -0.65 0.98 0.00 0.00 173.24 174.51 3mhf h PRO 177 N 0.55 0.54 -0.04 4.02 0.11 -1.93 -1.58 132.00 133.67 3mhf h PRO 177 Ca -0.48 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3mhf h PRO 177 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3mhf h PRO 177 CO 0.56 0.36 -0.02 1.49 -0.21 0.00 0.00 178.00 180.18 3mhf h GLU 178 N 0.55 -0.01 -0.71 1.05 4.81 -1.92 -2.41 114.58 115.95 3mhf h GLU 178 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3mhf h GLU 178 Cb 0.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3mhf h GLU 178 CO -0.06 -0.01 0.20 0.35 -0.73 0.00 0.00 179.01 178.76 3mhf h PHE 179 N -0.01 1.16 -0.84 0.92 3.57 -1.72 -2.79 116.94 117.23 3mhf h PHE 179 Ca 0.02 -0.13 0.21 0.00 3.53 0.00 0.00 57.97 61.61 3mhf h PHE 179 Cb 0.05 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 3mhf h PHE 179 CO -0.11 0.93 0.58 0.00 -2.23 0.00 0.00 178.31 177.47 3mhf h ALA 180 N 1.10 2.46 0.00 2.41 0.00 -0.82 0.14 119.26 124.55 3mhf h ALA 180 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3mhf h ALA 180 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mhf h ALA 180 CO -0.00 -0.71 0.00 0.87 0.00 0.00 0.00 179.25 179.40 3mhf h LYS 181 N 0.21 0.00 -0.01 0.00 1.57 -1.18 -3.16 116.57 114.01 3mhf h LYS 181 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3mhf h LYS 181 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3mhf h LYS 181 CO -0.09 0.00 -0.13 1.33 -0.57 0.00 0.00 179.45 179.99 3mhf n VAL 182 N -3.05 0.00 -0.17 0.50 0.24 -0.08 -4.77 118.33 111.00 3mhf n VAL 182 Ca 0.02 -0.44 -0.02 0.00 -2.04 0.00 0.00 64.34 61.86 3mhf n VAL 182 Cb 0.37 1.10 0.08 0.00 -1.47 0.00 0.00 33.84 33.91 3mhf n VAL 182 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3mhf h LYS 183 N 0.91 0.23 -0.90 7.34 3.64 -1.19 -1.20 116.57 125.39 3mhf h LYS 183 Ca 0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3mhf h LYS 183 Cb 0.26 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3mhf h LYS 183 CO 0.00 0.15 0.59 0.00 -2.27 0.00 0.00 179.45 177.92 3mhf h ALA 184 N 1.42 1.18 -0.02 5.00 0.00 -1.79 0.22 119.26 125.27 3mhf h ALA 184 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3mhf h ALA 184 Cb 0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mhf h ALA 184 CO -0.35 0.48 0.01 1.25 0.00 0.00 0.00 179.25 180.63 3mhf h HIS 185 N 1.16 0.02 -0.33 0.00 -0.00 -1.59 -1.54 115.15 112.87 3mhf h HIS 185 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 3mhf h HIS 185 Cb -0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 3mhf h HIS 185 CO -0.01 0.04 0.21 0.87 -0.00 0.00 0.00 177.93 179.04 3mhf h LYS 186 N -0.00 0.44 0.42 5.26 1.79 -0.53 -2.06 116.57 121.89 3mhf h LYS 186 Ca 0.01 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3mhf h LYS 186 Cb 0.02 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3mhf h LYS 186 CO -0.00 0.30 -0.20 0.28 -1.08 0.00 0.00 179.45 178.75 3mhf h VAL 187 N 0.44 0.40 -0.67 0.50 2.07 -0.94 -2.66 116.25 115.39 3mhf h VAL 187 Ca 0.12 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 3mhf h VAL 187 Cb -0.04 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3mhf h VAL 187 CO -0.03 0.08 0.20 0.78 0.02 0.00 0.00 177.57 178.62 3mhf h ASN 188 N -0.98 0.97 0.58 0.57 2.35 -1.35 -1.37 115.58 116.36 3mhf h ASN 188 Ca -0.06 -0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.39 3mhf h ASN 188 Cb 0.56 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3mhf h ASN 188 CO 0.09 0.91 -0.59 -0.33 -1.65 0.00 0.00 177.43 175.86 3mhf h GLU 189 N 1.00 0.01 -0.21 0.81 4.39 -1.47 -1.41 114.58 117.70 3mhf h GLU 189 Ca 0.22 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.74 3mhf h GLU 189 Cb 0.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3mhf h GLU 189 CO -0.01 0.60 -0.58 0.00 -1.16 0.00 0.00 179.01 177.86 3mhf h ALA 190 N 1.40 0.59 -0.54 3.43 0.00 -1.13 -2.11 119.26 120.90 3mhf h ALA 190 Ca -0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 3mhf h ALA 190 Cb 1.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3mhf h ALA 190 CO 0.08 0.69 0.06 0.52 0.00 0.00 0.00 179.25 180.60 3mhf h MET 191 N 0.50 0.87 -0.35 0.00 2.86 -1.03 -1.19 114.93 116.59 3mhf h MET 191 Ca 0.00 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3mhf h MET 191 Cb 1.15 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3mhf h MET 191 CO 0.11 0.83 0.19 0.87 1.06 0.00 0.00 176.91 179.98 3mhf h LYS 192 N 0.82 0.49 0.32 1.72 1.57 -1.12 -1.87 116.57 118.50 3mhf h LYS 192 Ca 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3mhf h LYS 192 Cb 0.41 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3mhf h LYS 192 CO 0.01 0.41 -0.24 0.28 -0.57 0.00 0.00 179.45 179.34 3mhf h VAL 193 N 0.44 0.49 -0.08 0.50 2.07 -1.07 -3.12 116.25 115.49 3mhf h VAL 193 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3mhf h VAL 193 Cb 0.06 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3mhf h VAL 193 CO -0.02 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.06 3mhf n PHE 194 N -5.37 0.10 0.90 1.57 3.72 -0.48 -2.38 117.46 115.52 3mhf n PHE 194 Ca -0.09 -0.05 0.12 0.00 -0.05 0.00 0.00 57.45 57.38 3mhf n PHE 194 Cb 0.28 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.07 3mhf n PHE 194 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3mhf n SER 195 N -0.28 0.51 -4.76 4.37 7.64 -0.71 -4.65 113.62 115.73 3mhf n SER 195 Ca 0.15 -0.13 -0.39 0.00 1.01 0.00 0.00 58.87 59.51 3mhf n SER 195 Cb 0.18 0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.60 3mhf n SER 195 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mhf s LYS 196 N -3.04 3.60 0.48 1.43 1.02 -1.00 -4.89 119.74 117.34 3mhf s LYS 196 Ca 0.10 2.33 0.17 0.00 0.02 0.00 0.00 55.97 58.59 3mhf s LYS 196 Cb 0.17 -2.57 1.17 0.00 -0.52 0.00 0.00 37.83 36.08 3mhf s LYS 196 CO 0.70 -0.85 2.03 1.49 -0.92 0.00 0.00 175.35 177.80 3mhf h GLU 197 N 2.17 0.21 0.00 1.68 4.81 -1.91 -2.49 114.58 119.05 3mhf h GLU 197 Ca -0.51 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3mhf h GLU 197 Cb 1.27 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3mhf h GLU 197 CO 0.60 0.14 0.00 0.07 -0.73 0.00 0.00 179.01 179.09 3mhf h ARG 198 N 0.21 0.00 0.00 1.92 0.11 -1.96 -2.27 114.38 112.39 3mhf h ARG 198 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3mhf h ARG 198 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3mhf h ARG 198 CO -0.04 0.00 -0.73 1.19 0.10 0.00 0.00 179.97 180.49 3mhf n PHE 199 N -2.37 0.05 -1.46 4.08 3.72 -0.94 -4.65 117.46 115.88 3mhf n PHE 199 Ca -0.00 0.01 -0.16 0.00 -0.05 0.00 0.00 57.45 57.25 3mhf n PHE 199 Cb 0.11 -0.21 -0.07 0.00 -0.94 0.00 0.00 39.48 38.37 3mhf n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mhf n GLY 200 N 1.48 1.61 3.76 1.37 0.00 -0.86 -4.09 105.19 108.46 3mhf n GLY 200 Ca 0.04 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3mhf n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhf s VAL 201 N -2.58 3.27 -0.18 1.61 1.01 -1.26 -4.66 120.40 117.61 3mhf s VAL 201 Ca 0.00 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.26 3mhf s VAL 201 Cb 0.00 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 3mhf s VAL 201 CO 0.00 0.26 -0.12 0.47 0.00 0.00 0.00 175.10 175.72 3mhf n ASP 202 N 0.90 2.15 -3.84 3.32 8.00 -0.31 -4.96 116.55 121.81 3mhf n ASP 202 Ca 0.00 -0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.27 3mhf n ASP 202 Cb 0.44 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.39 3mhf n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mhf s VAL 203 N -2.39 0.09 -0.19 2.53 1.01 -1.00 -4.18 120.40 116.27 3mhf s VAL 203 Ca -0.22 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 3mhf s VAL 203 Cb 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 3mhf s VAL 203 CO 0.50 0.09 0.26 -0.76 0.00 0.00 0.00 175.10 175.18 3mhf s LEU 204 N 0.62 4.19 -0.36 3.92 1.43 -0.75 -1.44 118.68 126.29 3mhf s LEU 204 Ca -0.06 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 3mhf s LEU 204 Cb -0.08 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.86 3mhf s LEU 204 CO -0.01 0.06 0.20 -0.75 0.23 0.00 0.00 176.35 176.08 3mhf s LYS 205 N 0.78 2.99 0.20 1.70 2.20 0.36 -0.66 119.74 127.32 3mhf s LYS 205 Ca 0.14 -0.96 0.03 0.00 -0.36 0.00 0.00 55.97 54.81 3mhf s LYS 205 Cb -0.13 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 3mhf s LYS 205 CO 0.04 -0.62 -0.02 0.14 -0.36 0.00 0.00 175.35 174.54 3mhf s VAL 206 N 1.58 0.97 0.54 4.02 -7.23 -0.37 -1.45 120.40 118.46 3mhf s VAL 206 Ca 0.03 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.01 3mhf s VAL 206 Cb -0.19 -2.21 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 3mhf s VAL 206 CO 0.07 -0.42 1.02 -1.61 -0.31 0.00 0.00 175.10 173.85 3mhf s GLU 207 N -3.86 3.65 0.41 4.82 2.02 -1.26 -1.45 118.70 123.04 3mhf s GLU 207 Ca 0.26 1.13 -0.26 0.00 0.02 0.00 0.00 54.97 56.11 3mhf s GLU 207 Cb 0.05 -2.09 -0.09 0.00 0.10 0.00 0.00 34.13 32.11 3mhf s GLU 207 CO 0.06 -0.53 1.36 0.14 0.02 0.00 0.00 175.26 176.31 3mhf s VAL 208 N -2.45 2.40 -0.73 2.63 -7.23 -1.26 -4.88 120.40 108.89 3mhf s VAL 208 Ca 0.62 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 3mhf s VAL 208 Cb -0.13 -3.22 0.03 0.00 0.56 0.00 0.00 36.38 33.62 3mhf s VAL 208 CO 0.32 0.06 0.68 -0.81 -0.31 0.00 0.00 175.10 175.03 3mhf n PRO 209 N 0.10 1.14 -3.68 4.82 -0.04 -1.26 -4.74 135.00 131.33 3mhf n PRO 209 Ca 0.04 -0.14 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 3mhf n PRO 209 Cb 0.43 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 3mhf n PRO 209 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mhf s VAL 210 N -0.84 0.03 -0.72 0.52 0.11 -1.26 -3.12 120.40 115.12 3mhf s VAL 210 Ca 0.02 -0.25 -0.22 0.00 -2.93 0.00 0.00 61.98 58.60 3mhf s VAL 210 Cb 0.02 -0.73 0.07 0.00 -1.53 0.00 0.00 36.38 34.21 3mhf s VAL 210 CO 0.01 -0.14 1.04 0.21 -3.33 0.00 0.00 175.10 172.89 3mhf s ASN 211 N -1.00 6.25 0.42 3.54 3.84 -1.26 -4.89 114.94 121.84 3mhf s ASN 211 Ca -0.10 -1.11 0.28 0.00 0.21 0.00 0.00 52.86 52.14 3mhf s ASN 211 Cb -0.03 -2.44 1.53 0.00 -0.55 0.00 0.00 41.25 39.76 3mhf s ASN 211 CO 0.05 -1.43 1.86 0.24 -2.79 0.00 0.00 177.10 175.03 3mhf h MET 212 N 9.52 0.00 0.00 0.43 2.86 -1.96 -0.73 114.93 125.06 3mhf h MET 212 Ca -0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3mhf h MET 212 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3mhf h MET 212 CO 1.19 0.00 0.00 1.63 1.06 0.00 0.00 176.91 180.79 3mhf n LYS 213 N -2.49 0.22 -0.02 1.72 5.02 -1.26 -1.97 118.16 119.38 3mhf n LYS 213 Ca -0.02 0.13 0.01 0.00 -2.02 0.00 0.00 58.31 56.41 3mhf n LYS 213 Cb 0.05 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 3mhf n LYS 213 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3mhf n PHE 214 N -1.31 0.06 -3.61 2.13 3.01 -0.28 -4.14 117.46 113.32 3mhf n PHE 214 Ca 0.08 -0.46 -0.36 0.00 1.01 0.00 0.00 57.45 57.71 3mhf n PHE 214 Cb 0.15 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 39.50 3mhf n PHE 214 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3mhf s VAL 215 N -0.94 5.33 -0.30 -4.37 1.01 -0.83 -0.84 120.40 119.47 3mhf s VAL 215 Ca 0.03 0.45 -0.43 0.00 0.00 0.00 0.00 61.98 62.03 3mhf s VAL 215 Cb 0.02 -3.58 -0.19 0.00 0.00 0.00 0.00 36.38 32.63 3mhf s VAL 215 CO 0.02 0.43 1.51 1.21 0.00 0.00 0.00 175.10 178.27 3mhf n GLU 216 N 3.30 0.36 0.00 2.72 2.13 0.74 -0.49 120.64 129.40 3mhf n GLU 216 Ca -0.14 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3mhf n GLU 216 Cb 0.52 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.55 3mhf n GLU 216 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mhf n GLY 217 N 3.42 3.15 0.00 8.31 0.00 -1.26 -4.53 105.19 114.28 3mhf n GLY 217 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.36 3mhf n GLY 217 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mhf n PHE 218 N -0.99 0.00 -3.02 1.61 3.01 0.36 -5.00 117.46 113.43 3mhf n PHE 218 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 3mhf n PHE 218 Cb 0.00 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.31 3mhf n PHE 218 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mhf s ALA 219 N -2.64 3.33 0.09 4.37 0.00 -0.38 -4.66 121.76 121.86 3mhf s ALA 219 Ca 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 3mhf s ALA 219 Cb 0.11 -2.99 -0.26 0.00 0.00 0.00 0.00 23.12 19.98 3mhf s ALA 219 CO 0.63 -0.12 1.17 -0.44 0.00 0.00 0.00 175.76 177.00 3mhf h ASP 220 N 6.77 0.29 0.00 0.00 3.32 -1.92 -3.47 116.42 121.41 3mhf h ASP 220 Ca -0.41 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.33 3mhf h ASP 220 Cb 1.20 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3mhf h ASP 220 CO 0.75 1.25 0.00 0.61 -1.72 0.00 0.00 179.24 180.13 3mhf n GLY 221 N 1.48 1.52 3.76 2.75 0.00 -1.26 -5.09 105.19 108.35 3mhf n GLY 221 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3mhf n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mhf s GLU 222 N 3.82 3.13 -0.23 1.61 -1.05 -1.26 -5.02 118.70 119.70 3mhf s GLU 222 Ca 0.00 1.72 -0.06 0.00 -0.15 0.00 0.00 54.97 56.47 3mhf s GLU 222 Cb 0.00 -1.96 -0.02 0.00 -0.44 0.00 0.00 34.13 31.70 3mhf s GLU 222 CO 0.00 -1.05 0.03 0.08 0.95 0.00 0.00 175.26 175.27 3mhf s VAL 223 N -1.70 4.05 -0.20 1.83 1.01 -1.26 -4.62 120.40 119.51 3mhf s VAL 223 Ca 0.75 -0.26 0.17 0.00 0.00 0.00 0.00 61.98 62.64 3mhf s VAL 223 Cb -0.27 -2.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.99 3mhf s VAL 223 CO 0.31 0.37 0.05 0.18 0.00 0.00 0.00 175.10 176.01 3mhf n LEU 224 N 4.77 0.20 -4.05 3.92 4.77 -0.02 -5.00 117.00 121.59 3mhf n LEU 224 Ca -0.17 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.65 3mhf n LEU 224 Cb 0.51 0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.88 3mhf n LEU 224 CO 0.31 0.53 -0.42 -0.36 -1.33 0.00 0.00 177.39 176.11 3mhf s PHE 225 N -2.49 0.78 0.79 -1.77 0.08 -0.89 -5.05 117.98 109.43 3mhf s PHE 225 Ca -0.12 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 3mhf s PHE 225 Cb 0.06 -0.47 0.07 0.00 -0.57 0.00 0.00 43.02 42.11 3mhf s PHE 225 CO 0.81 -0.02 1.14 0.95 -0.10 0.00 0.00 175.22 178.00 3mhf s THR 226 N -0.83 2.51 0.44 0.64 -4.23 -1.26 -0.19 115.64 112.72 3mhf s THR 226 Ca -0.03 0.16 0.15 0.00 -1.18 0.00 0.00 61.69 60.80 3mhf s THR 226 Cb -0.07 -3.10 0.18 0.00 1.34 0.00 0.00 72.50 70.85 3mhf s THR 226 CO 0.00 -0.21 1.98 0.11 -0.54 0.00 0.00 174.62 175.96 3mhf h LYS 227 N -1.01 0.00 -0.04 3.99 1.57 -1.94 -2.15 116.57 116.98 3mhf h LYS 227 Ca -0.46 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 3mhf h LYS 227 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 3mhf h LYS 227 CO 0.64 0.20 -0.71 1.49 -0.57 0.00 0.00 179.45 180.50 3mhf h GLU 228 N 0.00 0.23 -0.11 3.15 4.57 -1.97 -0.88 114.58 119.57 3mhf h GLU 228 Ca -0.00 -0.19 -0.16 0.00 -1.18 0.00 0.00 59.36 57.83 3mhf h GLU 228 Cb 0.36 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3mhf h GLU 228 CO 0.03 0.85 -0.62 0.93 -1.18 0.00 0.00 179.01 179.02 3mhf h GLU 229 N 0.16 0.38 -0.07 1.92 5.08 -1.83 -2.60 114.58 117.61 3mhf h GLU 229 Ca -0.02 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3mhf h GLU 229 Cb 1.27 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3mhf h GLU 229 CO 0.11 0.88 -0.05 0.00 -1.00 0.00 0.00 179.01 178.95 3mhf h ALA 230 N 1.06 0.11 -0.74 3.43 0.00 -1.28 -2.91 119.26 118.92 3mhf h ALA 230 Ca -0.01 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3mhf h ALA 230 Cb 1.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3mhf h ALA 230 CO 0.10 -0.12 0.49 0.00 0.00 0.00 0.00 179.25 179.72 3mhf h ALA 231 N 0.60 1.75 -0.36 0.00 0.00 -1.16 -1.97 119.26 118.13 3mhf h ALA 231 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3mhf h ALA 231 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mhf h ALA 231 CO 0.01 0.12 -0.17 0.37 0.00 0.00 0.00 179.25 179.58 3mhf h GLN 232 N 0.72 0.75 -0.97 0.00 5.75 -1.43 -1.87 115.11 118.05 3mhf h GLN 232 Ca 0.33 -0.33 0.12 0.00 -0.15 0.00 0.00 58.65 58.63 3mhf h GLN 232 Cb 0.35 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.79 3mhf h GLN 232 CO -0.12 0.94 0.60 0.00 -2.65 0.00 0.00 178.83 177.60 3mhf h ALA 233 N 0.79 1.47 -0.61 3.38 0.00 -1.17 0.23 119.26 123.34 3mhf h ALA 233 Ca 0.08 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3mhf h ALA 233 Cb 0.72 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3mhf h ALA 233 CO 0.05 0.17 0.04 0.74 0.00 0.00 0.00 179.25 180.25 3mhf h PHE 234 N 0.93 1.13 -0.39 0.00 0.04 -1.10 -1.46 116.94 116.08 3mhf h PHE 234 Ca 0.49 -0.17 -0.13 0.00 2.80 0.00 0.00 57.97 60.96 3mhf h PHE 234 Cb 0.52 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3mhf h PHE 234 CO -0.02 0.98 -0.27 0.00 -0.60 0.00 0.00 178.31 178.40 3mhf h ARG 235 N 0.97 0.83 -0.61 1.51 3.08 -0.39 -1.50 114.38 118.27 3mhf h ARG 235 Ca 0.18 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3mhf h ARG 235 Cb 0.50 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3mhf h ARG 235 CO 0.02 1.00 0.36 -0.44 -1.07 0.00 0.00 179.97 179.85 3mhf h ASP 236 N 0.71 0.72 -0.28 7.04 3.32 -0.41 -2.07 116.42 125.45 3mhf h ASP 236 Ca 0.09 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 3mhf h ASP 236 Cb 0.81 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 3mhf h ASP 236 CO 0.07 0.56 -0.37 -0.61 -1.72 0.00 0.00 179.24 177.17 3mhf h GLN 237 N 0.83 0.74 -0.39 3.56 4.15 -0.81 -2.22 115.11 120.98 3mhf h GLN 237 Ca 0.22 -0.42 0.03 0.00 0.77 0.00 0.00 58.65 59.24 3mhf h GLN 237 Cb -0.03 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3mhf h GLN 237 CO -0.04 1.05 0.26 1.49 -1.93 0.00 0.00 178.83 179.66 3mhf h GLU 238 N 0.49 0.42 -0.09 1.69 4.57 -0.96 -1.66 114.58 119.03 3mhf h GLU 238 Ca 0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3mhf h GLU 238 Cb 0.95 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3mhf h GLU 238 CO 0.09 0.28 0.00 0.00 -1.18 0.00 0.00 179.01 178.19 3mhf n ALA 239 N -2.50 2.54 1.11 2.92 0.00 -0.81 -3.90 120.51 119.88 3mhf n ALA 239 Ca 0.04 -0.51 0.12 0.00 0.00 0.00 0.00 53.44 53.09 3mhf n ALA 239 Cb 0.14 -1.11 0.29 0.00 0.00 0.00 0.00 19.45 18.77 3mhf n ALA 239 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mhf n SER 240 N 0.34 0.77 -3.60 0.00 7.64 -0.62 -4.93 113.62 113.22 3mhf n SER 240 Ca 0.18 -0.58 -0.16 0.00 1.01 0.00 0.00 58.87 59.32 3mhf n SER 240 Cb 0.37 0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 3mhf n SER 240 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3mhf s THR 241 N -2.77 0.02 -1.85 0.44 -1.32 -1.25 -3.46 115.64 105.44 3mhf s THR 241 Ca 0.17 -0.16 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 3mhf s THR 241 Cb 0.18 -0.88 0.09 0.00 -1.51 0.00 0.00 72.50 70.39 3mhf s THR 241 CO 0.62 -0.09 0.96 0.47 -2.21 0.00 0.00 174.62 174.37 3mhf n ASP 242 N 0.98 2.14 -4.80 8.08 10.43 -1.26 -4.92 116.55 127.20 3mhf n ASP 242 Ca -0.20 -1.57 -0.33 0.00 2.57 0.00 0.00 54.79 55.26 3mhf n ASP 242 Cb 0.57 0.12 0.01 0.00 1.84 0.00 0.00 41.12 43.66 3mhf n ASP 242 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3mhf s LEU 243 N -1.50 3.48 0.43 0.64 1.43 -1.26 -5.01 118.68 116.88 3mhf s LEU 243 Ca 0.17 1.81 -0.26 0.00 -1.03 0.00 0.00 54.13 54.83 3mhf s LEU 243 Cb 0.13 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3mhf s LEU 243 CO 0.25 -1.19 1.42 -2.84 0.23 0.00 0.00 176.35 174.22 3mhf s PRO 244 N -4.12 3.78 -0.00 1.29 0.02 -1.26 -4.92 135.00 129.79 3mhf s PRO 244 Ca 0.63 2.41 -0.03 0.00 0.02 0.00 0.00 61.00 64.03 3mhf s PRO 244 Cb -0.16 -2.71 -0.00 0.00 0.02 0.00 0.00 34.50 31.64 3mhf s PRO 244 CO 0.38 -0.74 0.06 1.52 -0.33 0.00 0.00 177.00 177.89 3mhf s TYR 245 N -1.20 0.07 0.07 6.54 -0.85 -1.26 -1.80 117.35 118.93 3mhf s TYR 245 Ca 0.59 -0.15 0.05 0.00 -0.52 0.00 0.00 57.07 57.04 3mhf s TYR 245 Cb -0.43 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 41.81 3mhf s TYR 245 CO 0.56 -0.17 -0.14 0.96 -1.52 0.00 0.00 175.55 175.24 3mhf s ILE 246 N -0.92 1.14 0.12 -3.49 -4.36 0.17 -0.33 121.20 113.53 3mhf s ILE 246 Ca -0.10 -1.32 -0.16 0.00 -0.26 0.00 0.00 60.65 58.81 3mhf s ILE 246 Cb -0.06 -1.09 -0.07 0.00 1.25 0.00 0.00 42.46 42.49 3mhf s ILE 246 CO 0.00 -0.22 0.55 -0.31 0.24 0.00 0.00 174.94 175.21 3mhf s TYR 247 N -1.27 3.68 0.12 1.37 2.02 -0.78 -1.24 117.35 121.25 3mhf s TYR 247 Ca -0.02 1.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.85 3mhf s TYR 247 Cb -0.10 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3mhf s TYR 247 CO 0.02 0.49 0.22 -0.48 -1.57 0.00 0.00 175.55 174.23 3mhf s LEU 248 N -1.62 4.21 -0.22 -1.29 0.05 -0.53 -1.76 118.68 117.52 3mhf s LEU 248 Ca 0.34 0.14 -0.10 0.00 0.05 0.00 0.00 54.13 54.56 3mhf s LEU 248 Cb -0.17 -2.80 -0.05 0.00 -2.05 0.00 0.00 46.19 41.12 3mhf s LEU 248 CO 0.19 0.10 0.15 -0.55 -0.55 0.00 0.00 176.35 175.69 3mhf s SER 249 N -2.89 6.15 -0.07 1.48 0.15 -1.26 -4.53 113.70 112.73 3mhf s SER 249 Ca 0.34 0.16 -0.04 0.00 0.70 0.00 0.00 55.95 57.10 3mhf s SER 249 Cb -0.12 -2.10 0.03 0.00 -1.71 0.00 0.00 66.02 62.13 3mhf s SER 249 CO 0.27 0.11 0.16 0.00 1.20 0.00 0.00 173.24 174.98 3mhf s ALA 250 N 0.76 -0.35 0.00 5.45 0.00 -1.26 -4.92 121.76 121.44 3mhf s ALA 250 Ca 0.08 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.63 3mhf s ALA 250 Cb -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3mhf s ALA 250 CO 0.02 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3mhf n GLY 251 N 3.63 0.24 3.27 0.00 0.00 -1.26 -4.96 105.19 106.11 3mhf n GLY 251 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 3mhf n GLY 251 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhf s VAL 252 N -1.58 1.22 0.80 1.61 -7.23 -1.26 -5.06 120.40 108.90 3mhf s VAL 252 Ca 0.00 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 3mhf s VAL 252 Cb 0.00 -1.90 0.07 0.00 0.56 0.00 0.00 36.38 35.11 3mhf s VAL 252 CO 0.00 -0.70 1.09 -0.94 -0.31 0.00 0.00 175.10 174.23 3mhf s SER 253 N -3.19 4.38 0.23 4.85 1.04 -1.26 -4.81 113.70 114.94 3mhf s SER 253 Ca 0.18 1.57 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 3mhf s SER 253 Cb 0.02 -2.31 0.31 0.00 0.10 0.00 0.00 66.02 64.15 3mhf s SER 253 CO 0.02 -2.08 1.82 0.00 0.98 0.00 0.00 173.24 173.98 3mhf h ALA 254 N -1.16 1.05 -0.55 5.32 0.00 -1.99 0.28 119.26 122.21 3mhf h ALA 254 Ca -0.46 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3mhf h ALA 254 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3mhf h ALA 254 CO 0.55 0.13 0.18 -0.22 0.00 0.00 0.00 179.25 179.89 3mhf h LYS 255 N 0.79 0.85 -0.48 0.00 1.63 -1.99 -1.52 116.57 115.85 3mhf h LYS 255 Ca 0.35 -0.18 -0.12 0.00 -0.85 0.00 0.00 60.65 59.85 3mhf h LYS 255 Cb 0.23 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3mhf h LYS 255 CO -0.20 0.76 -0.16 1.25 -3.45 0.00 0.00 179.45 177.65 3mhf h LEU 256 N 0.76 0.97 -0.39 5.20 5.85 -1.80 -1.03 115.31 124.87 3mhf h LEU 256 Ca 0.18 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3mhf h LEU 256 Cb 0.26 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3mhf h LEU 256 CO -0.01 1.13 0.16 0.15 -0.34 0.00 0.00 178.44 179.52 3mhf h PHE 257 N 0.80 0.28 -0.81 1.25 3.57 -0.78 0.93 116.94 122.17 3mhf h PHE 257 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3mhf h PHE 257 Cb 0.73 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3mhf h PHE 257 CO 0.05 0.12 0.38 1.96 -2.23 0.00 0.00 178.31 178.60 3mhf h GLN 258 N 0.33 1.17 -0.40 1.11 4.20 -1.05 -1.32 115.11 119.15 3mhf h GLN 258 Ca 0.18 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3mhf h GLN 258 Cb 0.13 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3mhf h GLN 258 CO -0.16 0.91 0.14 -0.44 -0.67 0.00 0.00 178.83 178.61 3mhf h ASP 259 N 1.16 0.51 -0.46 1.46 3.32 -0.44 -2.44 116.42 119.53 3mhf h ASP 259 Ca 0.28 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 3mhf h ASP 259 Cb 0.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3mhf h ASP 259 CO -0.03 0.48 -0.15 0.74 -1.72 0.00 0.00 179.24 178.55 3mhf h THR 260 N 0.56 1.27 0.02 0.35 2.02 0.23 -1.62 112.91 115.74 3mhf h THR 260 Ca 0.14 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3mhf h THR 260 Cb 0.14 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3mhf h THR 260 CO -0.01 0.45 -0.03 -0.07 0.37 0.00 0.00 175.52 176.22 3mhf h LEU 261 N 0.84 -0.09 -0.23 2.58 3.38 -0.88 0.45 115.31 121.36 3mhf h LEU 261 Ca 0.12 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.17 3mhf h LEU 261 Cb 0.70 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 3mhf h LEU 261 CO 0.05 -0.05 -0.25 0.58 0.09 0.00 0.00 178.44 178.86 3mhf h VAL 262 N -0.07 0.39 -0.91 1.22 2.07 -1.36 -1.23 116.25 116.35 3mhf h VAL 262 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3mhf h VAL 262 Cb 0.08 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3mhf h VAL 262 CO -0.02 0.00 0.54 0.15 0.02 0.00 0.00 177.57 178.26 3mhf h PHE 263 N -0.26 1.21 -0.10 1.57 3.57 -0.92 -0.28 116.94 121.73 3mhf h PHE 263 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3mhf h PHE 263 Cb 0.46 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3mhf h PHE 263 CO -0.39 0.81 0.00 0.00 -2.23 0.00 0.00 178.31 176.50 3mhf h ALA 264 N 1.33 0.08 -0.49 2.41 0.00 0.40 0.17 119.26 123.16 3mhf h ALA 264 Ca 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3mhf h ALA 264 Cb -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3mhf h ALA 264 CO -0.06 -0.46 0.12 0.00 0.00 0.00 0.00 179.25 178.85 3mhf h ALA 265 N 1.08 0.64 -0.36 0.00 0.00 -0.77 -1.02 119.26 118.84 3mhf h ALA 265 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3mhf h ALA 265 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3mhf h ALA 265 CO -0.07 0.33 0.24 0.93 0.00 0.00 0.00 179.25 180.67 3mhf h GLU 266 N 0.66 0.47 0.00 0.00 5.08 -0.78 -2.17 114.58 117.83 3mhf h GLU 266 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3mhf h GLU 266 Cb 0.33 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3mhf h GLU 266 CO 0.00 0.31 0.00 0.77 -1.00 0.00 0.00 179.01 179.09 3mhf h SER 267 N 0.48 0.00 0.00 1.42 0.02 -0.36 -3.47 113.55 111.64 3mhf h SER 267 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3mhf h SER 267 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3mhf h SER 267 CO -0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 3mhf n GLY 268 N 0.82 1.34 3.71 -3.77 0.00 -0.82 -4.64 105.19 101.82 3mhf n GLY 268 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3mhf n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhf s ALA 269 N -2.00 3.46 -0.93 4.61 0.00 -0.44 -4.89 121.76 121.58 3mhf s ALA 269 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3mhf s ALA 269 Cb 0.00 -3.48 0.32 0.00 0.00 0.00 0.00 23.12 19.95 3mhf s ALA 269 CO 0.00 -0.54 1.55 1.63 0.00 0.00 0.00 175.76 178.40 3mhf n LYS 270 N 4.13 4.73 -1.98 0.00 4.76 -1.26 -4.36 118.16 124.17 3mhf n LYS 270 Ca 0.10 -4.69 -0.32 0.00 -2.87 0.00 0.00 58.31 50.53 3mhf n LYS 270 Cb 0.45 -2.42 0.01 0.00 -1.84 0.00 0.00 35.03 31.23 3mhf n LYS 270 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3mhf s PHE 271 N -3.85 3.41 -0.17 2.13 -0.12 -1.26 -4.74 117.98 113.37 3mhf s PHE 271 Ca 0.40 1.39 0.17 0.00 -0.05 0.00 0.00 56.93 58.84 3mhf s PHE 271 Cb 0.19 -2.80 0.42 0.00 -0.63 0.00 0.00 43.02 40.20 3mhf s PHE 271 CO -0.09 -0.75 1.30 0.09 -0.05 0.00 0.00 175.22 175.72 3mhf n ASN 272 N -2.41 3.01 0.00 1.98 4.13 0.56 -0.07 115.26 122.46 3mhf n ASN 272 Ca 0.07 -3.16 0.00 0.00 1.68 0.00 0.00 54.58 53.17 3mhf n ASN 272 Cb 0.54 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 3mhf n ASN 272 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mhf n GLY 273 N -0.99 0.81 3.15 7.41 0.00 -1.26 -0.84 105.19 113.48 3mhf n GLY 273 Ca 0.20 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 3mhf n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhf s VAL 274 N -1.82 0.12 -0.72 1.61 -7.23 0.19 -1.87 120.40 110.67 3mhf s VAL 274 Ca 0.00 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.22 3mhf s VAL 274 Cb 0.00 -0.92 0.17 0.00 0.56 0.00 0.00 36.38 36.20 3mhf s VAL 274 CO 0.00 -0.54 0.52 -0.22 -0.31 0.00 0.00 175.10 174.54 3mhf s LEU 275 N -2.13 4.91 0.00 1.32 2.96 -0.72 -1.78 118.68 123.24 3mhf s LEU 275 Ca -0.05 -3.76 0.00 0.00 -0.22 0.00 0.00 54.13 50.11 3mhf s LEU 275 Cb -0.01 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 45.00 3mhf s LEU 275 CO -0.04 -0.11 0.00 0.00 -1.32 0.00 0.00 176.35 174.87 3mhf n GLY 277 N 0.00 1.17 0.43 0.00 0.00 -1.26 -0.46 105.19 105.06 3mhf n GLY 277 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.26 3mhf n GLY 277 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mhf h ARG 278 N 0.00 0.31 0.00 1.61 2.43 -1.96 0.75 114.38 117.52 3mhf h ARG 278 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3mhf h ARG 278 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3mhf h ARG 278 CO 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 179.97 178.67 3mhf n ALA 279 N -2.53 2.19 0.07 2.80 0.00 -1.26 -0.63 120.51 121.14 3mhf n ALA 279 Ca 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.63 3mhf n ALA 279 Cb 0.91 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 3mhf n ALA 279 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3mhf h THR 280 N 0.00 1.24 -0.02 0.00 1.35 0.16 -3.35 112.91 112.28 3mhf h THR 280 Ca 0.00 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 3mhf h THR 280 Cb 0.67 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 3mhf h THR 280 CO 0.00 0.70 0.00 -2.67 -0.25 0.00 0.00 175.52 173.30 3mhf n TRP 281 N -3.23 0.03 -0.34 4.73 4.27 -1.07 -4.42 117.44 117.41 3mhf n TRP 281 Ca -0.02 -0.06 0.07 0.00 -3.89 0.00 0.00 57.50 53.60 3mhf n TRP 281 Cb 0.88 -0.00 0.26 0.00 -1.36 0.00 0.00 31.31 31.08 3mhf n TRP 281 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3mhf h ALA 282 N 0.99 1.56 0.00 -1.67 0.00 -1.01 -1.67 119.26 117.47 3mhf h ALA 282 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mhf h ALA 282 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mhf h ALA 282 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.88 3mhf n GLY 283 N -1.37 -0.72 0.00 0.00 0.00 -1.26 -2.87 105.19 98.98 3mhf n GLY 283 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3mhf n GLY 283 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mhf n SER 284 N -0.44 1.63 0.02 1.61 3.41 -0.63 -4.38 113.62 114.83 3mhf n SER 284 Ca 0.00 -0.31 -0.12 0.00 -0.26 0.00 0.00 58.87 58.18 3mhf n SER 284 Cb 0.03 1.31 -0.06 0.00 -0.26 0.00 0.00 64.21 65.22 3mhf n SER 284 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mhf h VAL 285 N 0.00 1.02 -0.45 -3.33 2.07 -1.60 -0.62 116.25 113.35 3mhf h VAL 285 Ca 0.00 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3mhf h VAL 285 Cb 0.41 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3mhf h VAL 285 CO 0.00 0.02 0.05 0.07 0.02 0.00 0.00 177.57 177.73 3mhf h LYS 286 N 0.05 0.77 -0.19 1.57 2.10 -1.81 -3.00 116.57 116.05 3mhf h LYS 286 Ca 0.02 -0.22 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 3mhf h LYS 286 Cb 0.01 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 3mhf h LYS 286 CO -0.00 0.80 0.07 0.28 -2.00 0.00 0.00 179.45 178.59 3mhf h VAL 287 N 0.62 1.09 -0.56 0.07 2.07 -1.71 -1.88 116.25 115.95 3mhf h VAL 287 Ca 0.13 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3mhf h VAL 287 Cb 0.42 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3mhf h VAL 287 CO 0.01 0.10 -0.02 0.22 0.02 0.00 0.00 177.57 177.90 3mhf h TYR 288 N 0.26 1.10 -0.53 1.57 5.03 -0.97 -0.30 116.97 123.14 3mhf h TYR 288 Ca 0.07 -0.20 -0.02 0.00 2.58 0.00 0.00 58.73 61.16 3mhf h TYR 288 Cb 0.07 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 3mhf h TYR 288 CO 0.00 1.00 0.02 -0.89 -1.32 0.00 0.00 178.16 176.97 3mhf n ILE 289 N -4.22 2.47 0.00 1.81 5.41 -1.00 -2.49 119.36 121.34 3mhf n ILE 289 Ca 0.02 -1.26 0.00 0.00 1.00 0.00 0.00 62.75 62.51 3mhf n ILE 289 Cb 0.35 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 3mhf n ILE 289 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3mhf n GLU 290 N 0.49 0.00 0.00 0.38 2.13 -0.74 -4.84 120.64 118.06 3mhf n GLU 290 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3mhf n GLU 290 Cb 1.11 -0.64 0.00 0.00 0.27 0.00 0.00 31.44 32.19 3mhf n GLU 290 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3mhf n GLU 291 N -2.85 1.68 0.00 5.31 1.02 -0.16 -5.06 120.64 120.57 3mhf n GLU 291 Ca 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.08 3mhf n GLU 291 Cb 0.49 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 3mhf n GLU 291 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mhf n GLY 292 N -0.29 -2.72 0.15 0.62 0.00 -1.04 -4.11 105.19 97.80 3mhf n GLY 292 Ca 0.00 -1.74 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 3mhf n GLY 292 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mhf h PRO 293 N 0.00 0.30 -0.46 1.61 0.11 -1.88 -2.91 132.00 128.76 3mhf h PRO 293 Ca 0.00 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.15 3mhf h PRO 293 Cb 0.00 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 30.99 3mhf h PRO 293 CO 0.00 0.20 0.18 0.37 -0.21 0.00 0.00 178.00 178.54 3mhf h GLN 294 N 0.31 0.36 -0.37 1.05 5.75 -1.95 -1.82 115.11 118.44 3mhf h GLN 294 Ca 0.14 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3mhf h GLN 294 Cb 0.08 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3mhf h GLN 294 CO -0.12 0.24 0.22 0.00 -2.65 0.00 0.00 178.83 176.52 3mhf h ALA 295 N 1.29 0.47 -0.53 3.38 0.00 -1.69 -2.59 119.26 119.59 3mhf h ALA 295 Ca 0.22 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3mhf h ALA 295 Cb 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3mhf h ALA 295 CO -0.20 -0.04 0.21 0.00 0.00 0.00 0.00 179.25 179.21 3mhf h ALA 296 N 1.10 0.67 -0.70 0.00 0.00 -1.23 0.26 119.26 119.37 3mhf h ALA 296 Ca 0.13 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3mhf h ALA 296 Cb 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3mhf h ALA 296 CO -0.02 -0.18 0.37 0.00 0.00 0.00 0.00 179.25 179.42 3mhf h ARG 297 N 0.40 0.65 -0.59 0.00 3.08 -1.10 0.71 114.38 117.52 3mhf h ARG 297 Ca 0.26 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 3mhf h ARG 297 Cb 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3mhf h ARG 297 CO -0.25 0.43 0.01 0.93 -1.07 0.00 0.00 179.97 180.02 3mhf h GLU 298 N 0.67 1.03 -0.77 0.04 5.08 -0.90 0.13 114.58 119.86 3mhf h GLU 298 Ca 0.32 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3mhf h GLU 298 Cb 0.26 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3mhf h GLU 298 CO -0.22 1.00 0.27 2.35 -1.00 0.00 0.00 179.01 181.41 3mhf h TRP 299 N 0.94 1.20 -0.32 4.33 7.01 -0.27 -2.40 115.95 126.43 3mhf h TRP 299 Ca 0.17 -0.11 -0.16 0.00 2.11 0.00 0.00 58.89 60.91 3mhf h TRP 299 Cb 0.53 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 3mhf h TRP 299 CO 0.04 0.93 -0.42 -0.07 -2.79 0.00 0.00 178.44 176.12 3mhf h LEU 300 N 1.13 0.87 -0.28 0.65 3.38 -0.38 0.35 115.31 121.03 3mhf h LEU 300 Ca 0.25 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3mhf h LEU 300 Cb 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3mhf h LEU 300 CO -0.01 1.17 0.00 0.54 0.09 0.00 0.00 178.44 180.23 3mhf n ARG 301 N -4.03 0.12 0.00 1.13 1.74 0.40 -0.34 116.66 115.67 3mhf n ARG 301 Ca -0.02 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3mhf n ARG 301 Cb 0.55 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3mhf n ARG 301 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3mhf n THR 302 N -1.92 0.00 -0.13 0.55 -2.24 -0.92 -4.50 114.28 105.13 3mhf n THR 302 Ca 0.04 0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 3mhf n THR 302 Cb 0.26 -0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 3mhf n THR 302 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3mhf h GLU 303 N 0.00 0.55 0.05 -0.78 4.39 -1.11 -1.83 114.58 115.85 3mhf h GLU 303 Ca 0.00 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3mhf h GLU 303 Cb 0.00 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3mhf h GLU 303 CO 0.00 0.50 -0.48 0.78 -1.16 0.00 0.00 179.01 178.65 3mhf h GLY 304 N 0.47 -0.96 0.47 -3.84 0.00 -0.29 -0.07 103.07 98.86 3mhf h GLY 304 Ca 0.13 0.58 0.08 0.00 0.00 0.00 0.00 47.33 48.12 3mhf h GLY 304 CO -0.02 -0.25 0.19 -2.75 0.00 0.00 0.00 176.54 173.71 3mhf h PHE 305 N -0.66 0.33 -0.22 5.60 3.57 -0.64 -1.62 116.94 123.31 3mhf h PHE 305 Ca 0.02 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3mhf h PHE 305 Cb 0.71 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 3mhf h PHE 305 CO -0.45 0.10 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.44 3mhf h LYS 306 N 0.37 -0.02 0.03 1.11 3.64 -0.81 0.26 116.57 121.14 3mhf h LYS 306 Ca 0.26 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 3mhf h LYS 306 Cb 0.30 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 3mhf h LYS 306 CO -0.27 -0.01 -0.32 -0.91 -2.27 0.00 0.00 179.45 175.66 3mhf h ASN 307 N -0.02 -0.96 -0.01 4.20 2.35 -0.41 0.09 115.58 120.82 3mhf h ASN 307 Ca 0.11 0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.84 3mhf h ASN 307 Cb 0.19 0.38 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3mhf h ASN 307 CO -0.24 -0.39 -0.46 -0.29 -1.65 0.00 0.00 177.43 174.40 3mhf h ILE 308 N -0.49 1.31 -0.63 2.81 2.10 -1.07 -2.48 117.51 119.05 3mhf h ILE 308 Ca 0.05 -1.66 -0.02 0.00 1.08 0.00 0.00 64.86 64.32 3mhf h ILE 308 Cb 0.56 1.64 -0.03 0.00 -1.09 0.00 0.00 36.82 37.90 3mhf h ILE 308 CO -0.25 0.52 0.33 -0.78 -1.08 0.00 0.00 178.15 176.89 3mhf h ASP 309 N 0.44 0.81 -0.74 2.19 -0.00 -0.32 -0.57 116.42 118.23 3mhf h ASP 309 Ca 0.03 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.03 56.92 3mhf h ASP 309 Cb 0.97 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.33 40.06 3mhf h ASP 309 CO 0.09 0.69 0.35 -0.08 -0.00 0.00 0.00 179.24 180.28 3mhf h GLU 310 N 0.87 1.07 -0.35 0.28 4.81 -0.85 -1.98 114.58 118.43 3mhf h GLU 310 Ca 0.22 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3mhf h GLU 310 Cb 0.08 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3mhf h GLU 310 CO -0.03 0.84 0.10 1.25 -0.73 0.00 0.00 179.01 180.45 3mhf h LEU 311 N 1.04 0.51 -0.97 1.64 5.85 -1.10 -2.95 115.31 119.34 3mhf h LEU 311 Ca 0.25 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.89 3mhf h LEU 311 Cb 0.13 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 3mhf h LEU 311 CO -0.03 0.59 0.59 0.78 -0.34 0.00 0.00 178.44 180.03 3mhf h ASN 312 N 0.41 0.83 0.01 1.25 2.35 -0.75 -1.16 115.58 118.52 3mhf h ASN 312 Ca 0.11 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 3mhf h ASN 312 Cb 0.26 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3mhf h ASN 312 CO -0.00 0.42 -0.29 0.11 -1.65 0.00 0.00 177.43 176.02 3mhf h LYS 313 N 0.89 0.43 -0.26 0.81 1.57 -1.22 -1.49 116.57 117.29 3mhf h LYS 313 Ca 0.50 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 59.01 3mhf h LYS 313 Cb 0.56 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3mhf h LYS 313 CO -0.29 0.68 -0.22 0.28 -0.57 0.00 0.00 179.45 179.32 3mhf h VAL 314 N 0.38 1.31 -0.90 0.50 2.07 -1.15 -3.12 116.25 115.34 3mhf h VAL 314 Ca 0.05 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.28 3mhf h VAL 314 Cb 0.70 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 3mhf h VAL 314 CO 0.05 0.43 0.56 -0.07 0.02 0.00 0.00 177.57 178.56 3mhf h LEU 315 N 0.34 0.86 -1.93 2.57 3.38 -0.94 -0.89 115.31 118.69 3mhf h LEU 315 Ca 0.05 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3mhf h LEU 315 Cb 0.77 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3mhf h LEU 315 CO 0.06 0.52 0.22 0.44 0.09 0.00 0.00 178.44 179.77 3mhf h ASP 316 N 0.98 0.07 0.21 -0.43 3.32 -1.22 -0.07 116.42 119.28 3mhf h ASP 316 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3mhf h ASP 316 Cb 0.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3mhf h ASP 316 CO -0.20 0.05 -0.82 0.29 -1.72 0.00 0.00 179.24 176.83 3mhf n LYS 317 N -4.46 0.02 0.00 3.56 4.76 -0.42 -4.71 118.16 116.90 3mhf n LYS 317 Ca 0.04 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3mhf n LYS 317 Cb 0.33 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 3mhf n LYS 317 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3mhf n THR 318 N -1.53 0.00 -2.44 -0.18 -2.24 -0.69 -5.05 114.28 102.14 3mhf n THR 318 Ca 0.04 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 3mhf n THR 318 Cb 0.34 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 3mhf n THR 318 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhf s ALA 319 N -1.97 2.98 0.05 6.98 0.00 -0.12 -4.73 121.76 124.95 3mhf s ALA 319 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3mhf s ALA 319 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3mhf s ALA 319 CO 0.00 -0.40 0.09 -1.12 0.00 0.00 0.00 175.76 174.33 3mhf s SER 320 N -1.62 5.62 0.14 0.00 0.01 0.90 -4.92 113.70 113.83 3mhf s SER 320 Ca 0.63 0.05 -0.30 0.00 1.31 0.00 0.00 55.95 57.64 3mhf s SER 320 Cb -0.23 -1.56 -0.07 0.00 0.21 0.00 0.00 66.02 64.38 3mhf s SER 320 CO 0.28 0.20 1.21 -2.84 0.41 0.00 0.00 173.24 172.50 3mhf s PRO 321 N -2.19 4.46 0.44 12.44 0.02 -1.26 -4.00 135.00 144.92 3mhf s PRO 321 Ca 0.28 1.85 0.31 0.00 0.02 0.00 0.00 61.00 63.45 3mhf s PRO 321 Cb -0.12 -3.28 1.42 0.00 0.02 0.00 0.00 34.50 32.54 3mhf s PRO 321 CO 0.20 -0.16 1.92 0.11 -0.33 0.00 0.00 177.00 178.74 3mhf h TRP 322 N 5.85 0.00 0.00 6.54 5.08 -1.21 -1.49 115.95 130.72 3mhf h TRP 322 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.54 3mhf h TRP 322 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3mhf h TRP 322 CO 0.64 0.00 0.14 1.79 -1.28 0.00 0.00 178.44 179.73 3mhf h THR 323 N 0.00 0.00 0.00 0.12 1.35 -1.91 -3.47 112.91 109.00 3mhf h THR 323 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3mhf h THR 323 Cb 0.28 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 3mhf h THR 323 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65