#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2osf s TRP 5 N 0.00 3.02 0.00 4.41 1.48 -1.26 -4.87 118.94 121.72 2osf s TRP 5 Ca 0.00 1.50 0.00 0.00 -1.06 0.00 0.00 56.10 56.54 2osf s TRP 5 Cb 0.00 -2.98 0.00 0.00 -1.16 0.00 0.00 33.47 29.33 2osf s TRP 5 CO 0.00 -1.11 0.00 0.41 -4.06 0.00 0.00 176.95 172.19 2osf n GLY 6 N -1.16 2.23 0.05 3.67 0.00 -0.36 -5.04 105.19 104.59 2osf n GLY 6 Ca 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2osf n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2osf n TYR 7 N 0.00 0.00 -2.36 1.61 4.02 -1.26 -3.83 117.16 115.33 2osf n TYR 7 Ca 0.00 -0.52 -0.23 0.00 -0.01 0.00 0.00 57.90 57.14 2osf n TYR 7 Cb 0.00 -0.07 0.13 0.00 -0.02 0.00 0.00 39.34 39.38 2osf n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2osf n GLY 8 N -0.64 0.03 0.29 2.72 0.00 -1.26 -4.69 105.19 101.63 2osf n GLY 8 Ca 0.04 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.24 2osf n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2osf h LYS 9 N 0.00 0.00 0.00 1.61 1.79 -1.97 0.15 116.57 118.14 2osf h LYS 9 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2osf h LYS 9 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2osf h LYS 9 CO 0.31 0.00 -1.03 0.72 -1.08 0.00 0.00 179.45 178.37 2osf n HIS 10 N -4.47 0.00 -1.81 -1.35 8.25 -1.26 -4.52 115.22 110.05 2osf n HIS 10 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2osf n HIS 10 Cb 0.21 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2osf n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2osf n ASN 11 N -1.54 0.09 -2.88 0.41 0.23 -1.14 -4.97 115.26 105.46 2osf n ASN 11 Ca 0.03 -1.89 -0.09 0.00 -0.53 0.00 0.00 54.58 52.09 2osf n ASN 11 Cb 0.33 -0.18 0.06 0.00 -2.08 0.00 0.00 39.78 37.91 2osf n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2osf n GLY 12 N -0.05 0.09 0.47 4.83 0.00 0.03 -1.22 105.19 109.33 2osf n GLY 12 Ca 0.01 -1.89 0.29 0.00 0.00 0.00 0.00 46.02 44.43 2osf n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2osf h PRO 13 N 0.00 0.14 0.00 1.61 0.11 -1.84 0.45 132.00 132.47 2osf h PRO 13 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2osf h PRO 13 Cb 0.46 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2osf h PRO 13 CO 0.13 0.09 0.00 -1.91 -0.21 0.00 0.00 178.00 176.10 2osf n GLU 14 N -4.35 0.10 -0.00 1.05 4.07 -1.26 -2.52 120.64 117.72 2osf n GLU 14 Ca 0.23 0.15 0.09 0.00 -0.06 0.00 0.00 57.16 57.57 2osf n GLU 14 Cb 1.03 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 30.79 2osf n GLU 14 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2osf n HIS 15 N -1.42 0.00 0.10 4.31 8.25 0.16 -4.58 115.22 122.03 2osf n HIS 15 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.57 2osf n HIS 15 Cb 0.20 -0.09 0.48 0.00 1.12 0.00 0.00 29.99 31.70 2osf n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2osf h TRP 16 N 0.00 0.31 0.00 4.41 6.55 -1.44 -2.72 115.95 123.05 2osf h TRP 16 Ca 0.00 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 2osf h TRP 16 Cb 0.54 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.74 2osf h TRP 16 CO 0.00 0.25 -0.03 1.12 -1.05 0.00 0.00 178.44 178.72 2osf h HIS 17 N 0.32 0.00 -0.23 0.49 2.07 -1.79 0.16 115.15 116.17 2osf h HIS 17 Ca 0.08 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.53 2osf h HIS 17 Cb 0.06 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.03 2osf h HIS 17 CO 0.00 0.03 -0.17 0.87 -3.07 0.00 0.00 177.93 175.60 2osf h LYS 18 N 0.00 0.39 0.00 5.12 1.57 -1.83 -2.99 116.57 118.83 2osf h LYS 18 Ca -0.00 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 2osf h LYS 18 Cb 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2osf h LYS 18 CO 0.00 0.55 -2.00 -0.25 -0.57 0.00 0.00 179.45 177.19 2osf n ASP 19 N -4.20 0.09 -3.75 0.86 8.00 -0.75 -4.74 116.55 112.06 2osf n ASP 19 Ca -0.00 0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 2osf n ASP 19 Cb 0.33 1.59 -0.12 0.00 -0.02 0.00 0.00 41.12 42.89 2osf n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2osf s PHE 20 N -3.25 2.66 0.44 1.24 0.08 0.47 -4.98 117.98 114.65 2osf s PHE 20 Ca -0.08 -2.91 0.40 0.00 0.12 0.00 0.00 56.93 54.46 2osf s PHE 20 Cb 0.12 -2.15 2.02 0.00 -0.57 0.00 0.00 43.02 42.43 2osf s PHE 20 CO 0.88 -0.68 2.22 -1.35 -0.10 0.00 0.00 175.22 176.19 2osf h PRO 21 N 5.83 0.00 0.00 0.24 0.11 -1.77 -0.29 132.00 136.11 2osf h PRO 21 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2osf h PRO 21 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2osf h PRO 21 CO 0.59 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.89 2osf n ILE 22 N -3.08 1.27 0.06 4.15 0.13 -1.26 -2.12 119.36 118.51 2osf n ILE 22 Ca -0.02 0.54 0.21 0.00 -1.10 0.00 0.00 62.75 62.39 2osf n ILE 22 Cb 0.16 -1.51 0.73 0.00 -0.84 0.00 0.00 39.64 38.19 2osf n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2osf h ALA 23 N 2.09 2.21 -0.75 1.51 0.00 -1.36 0.33 119.26 123.29 2osf h ALA 23 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 2osf h ALA 23 Cb 0.08 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.72 2osf h ALA 23 CO 0.00 -0.71 0.35 1.63 0.00 0.00 0.00 179.25 180.52 2osf n LYS 24 N -3.78 2.77 -1.37 0.00 5.02 -0.90 -4.96 118.16 114.93 2osf n LYS 24 Ca 0.09 -3.06 -0.30 0.00 -2.02 0.00 0.00 58.31 53.01 2osf n LYS 24 Cb 0.66 -2.11 0.23 0.00 -0.02 0.00 0.00 35.03 33.79 2osf n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2osf n GLY 25 N -0.74 -2.28 0.06 0.72 0.00 0.12 -4.98 105.19 98.09 2osf n GLY 25 Ca 0.46 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 45.03 2osf n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2osf n GLU 26 N -4.43 0.22 -2.87 1.61 -0.58 -1.26 -4.35 120.64 108.98 2osf n GLU 26 Ca 0.16 -0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.64 2osf n GLU 26 Cb 0.58 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 2osf n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2osf n ARG 27 N -1.28 1.19 -2.93 3.49 1.85 -1.26 -4.73 116.66 112.98 2osf n ARG 27 Ca 0.08 -3.37 -0.29 0.00 -1.00 0.00 0.00 57.85 53.27 2osf n ARG 27 Cb 0.33 -1.47 -0.02 0.00 -1.05 0.00 0.00 32.46 30.25 2osf n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2osf s GLN 28 N -2.87 3.65 0.16 2.89 -1.52 -1.26 -2.85 119.66 117.86 2osf s GLN 28 Ca 0.33 0.22 0.07 0.00 -1.95 0.00 0.00 55.36 54.04 2osf s GLN 28 Cb 0.41 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 30.70 2osf s GLN 28 CO -0.02 -0.02 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.73 2osf s SER 29 N -3.51 2.43 0.86 5.90 0.01 -1.26 -4.66 113.70 113.46 2osf s SER 29 Ca 0.48 -0.90 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 2osf s SER 29 Cb -0.10 -0.12 0.15 0.00 0.21 0.00 0.00 66.02 66.16 2osf s SER 29 CO 0.35 -0.12 0.93 -0.81 0.41 0.00 0.00 173.24 174.01 2osf n PRO 30 N 0.15 -0.58 -4.08 12.44 -0.04 -1.26 -4.56 135.00 137.06 2osf n PRO 30 Ca -0.12 -1.82 -0.07 0.00 -0.04 0.00 0.00 63.50 61.45 2osf n PRO 30 Cb 0.58 -0.84 -0.10 0.00 -0.04 0.00 0.00 33.50 33.10 2osf n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2osf s VAL 31 N -2.89 0.21 0.04 0.52 -7.23 -1.26 -0.05 120.40 109.74 2osf s VAL 31 Ca 0.56 -1.79 -0.25 0.00 -1.81 0.00 0.00 61.98 58.69 2osf s VAL 31 Cb -0.02 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2osf s VAL 31 CO 0.38 -0.96 0.76 -0.62 -0.31 0.00 0.00 175.10 174.35 2osf s ASP 32 N -2.92 7.20 -0.46 4.85 2.15 -1.26 -3.05 116.67 123.18 2osf s ASP 32 Ca 0.08 1.44 -0.17 0.00 0.43 0.00 0.00 52.55 54.32 2osf s ASP 32 Cb 0.08 -2.46 0.05 0.00 -0.30 0.00 0.00 42.92 40.28 2osf s ASP 32 CO -0.09 0.02 0.49 -0.63 -0.17 0.00 0.00 175.17 174.78 2osf s ILE 33 N -0.07 5.06 -0.52 4.11 1.01 0.41 -4.94 121.20 126.27 2osf s ILE 33 Ca 0.38 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 2osf s ILE 33 Cb -0.20 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.15 2osf s ILE 33 CO 0.23 -0.59 1.04 -0.62 0.00 0.00 0.00 174.94 174.99 2osf s ASP 34 N 2.32 6.47 0.36 3.58 -1.08 -1.26 -0.19 116.67 126.87 2osf s ASP 34 Ca 0.11 0.07 0.27 0.00 -0.52 0.00 0.00 52.55 52.48 2osf s ASP 34 Cb -0.20 -2.49 1.01 0.00 -1.46 0.00 0.00 42.92 39.78 2osf s ASP 34 CO 0.11 -1.24 1.80 0.71 0.52 0.00 0.00 175.17 177.07 2osf h THR 35 N 6.12 0.00 -0.00 1.71 1.35 -1.95 -1.92 112.91 118.22 2osf h THR 35 Ca -0.25 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2osf h THR 35 Cb 1.07 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2osf h THR 35 CO 1.10 0.00 -0.47 1.41 -0.25 0.00 0.00 175.52 177.32 2osf n HIS 36 N -2.59 0.00 0.23 4.73 8.25 -1.26 -4.02 115.22 120.56 2osf n HIS 36 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 2osf n HIS 36 Cb 0.32 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.26 2osf n HIS 36 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2osf n THR 37 N -1.23 0.07 -2.24 1.59 -2.24 -0.77 -4.98 114.28 104.48 2osf n THR 37 Ca 0.07 -0.54 -0.39 0.00 -2.27 0.00 0.00 64.05 60.93 2osf n THR 37 Cb 0.34 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 2osf n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2osf s ALA 38 N -0.55 3.23 -0.34 6.98 0.00 -0.91 -4.82 121.76 125.35 2osf s ALA 38 Ca 0.08 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 2osf s ALA 38 Cb 0.05 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2osf s ALA 38 CO 0.08 -0.57 0.39 0.21 0.00 0.00 0.00 175.76 175.86 2osf s LYS 39 N -2.17 3.61 0.25 0.00 2.36 -0.78 -4.83 119.74 118.18 2osf s LYS 39 Ca 0.55 -0.34 -0.31 0.00 -2.55 0.00 0.00 55.97 53.32 2osf s LYS 39 Cb -0.33 -3.79 -0.11 0.00 -1.05 0.00 0.00 37.83 32.54 2osf s LYS 39 CO 0.42 -0.52 1.63 -0.47 1.55 0.00 0.00 175.35 177.97 2osf s TYR 40 N 2.08 2.85 -0.31 4.03 5.04 -1.26 -0.54 117.35 129.24 2osf s TYR 40 Ca 0.13 0.61 0.01 0.00 -2.44 0.00 0.00 57.07 55.38 2osf s TYR 40 Cb -0.16 -4.07 0.09 0.00 0.35 0.00 0.00 41.96 38.17 2osf s TYR 40 CO 0.12 -3.82 0.06 0.34 -1.34 0.00 0.00 175.55 170.91 2osf s ASP 41 N 0.82 4.27 0.65 4.32 -1.08 -0.32 -4.85 116.67 120.47 2osf s ASP 41 Ca 0.68 -1.77 0.37 0.00 -0.52 0.00 0.00 52.55 51.32 2osf s ASP 41 Cb -0.48 -1.18 2.04 0.00 -1.46 0.00 0.00 42.92 41.85 2osf s ASP 41 CO 0.40 -0.38 2.18 -0.65 0.52 0.00 0.00 175.17 177.24 2osf h PRO 42 N 7.90 0.00 0.00 4.34 0.11 -1.94 -0.22 132.00 142.20 2osf h PRO 42 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2osf h PRO 42 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2osf h PRO 42 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 2osf n SER 43 N -3.15 0.63 -4.74 -2.05 3.41 -1.26 -4.75 113.62 101.71 2osf n SER 43 Ca -0.02 0.69 -0.41 0.00 -0.26 0.00 0.00 58.87 58.88 2osf n SER 43 Cb 0.21 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.30 2osf n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2osf s LEU 44 N -4.47 4.55 0.46 1.04 1.43 -0.09 -5.03 118.68 116.56 2osf s LEU 44 Ca 0.02 1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 54.91 2osf s LEU 44 Cb 0.08 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 2osf s LEU 44 CO 0.33 0.00 0.80 -0.54 0.23 0.00 0.00 176.35 177.17 2osf s LYS 45 N -0.42 3.64 0.75 1.70 1.02 -1.23 -5.00 119.74 120.20 2osf s LYS 45 Ca 0.45 0.35 -0.15 0.00 0.02 0.00 0.00 55.97 56.64 2osf s LYS 45 Cb -0.25 -2.36 0.05 0.00 -0.52 0.00 0.00 37.83 34.76 2osf s LYS 45 CO 0.31 -0.17 1.21 -2.14 -0.92 0.00 0.00 175.35 173.65 2osf s PRO 46 N -4.42 1.99 0.53 -1.68 0.02 -1.26 -3.09 135.00 127.09 2osf s PRO 46 Ca 0.49 1.79 -0.19 0.00 0.02 0.00 0.00 61.00 63.11 2osf s PRO 46 Cb -0.10 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 2osf s PRO 46 CO 0.40 -1.96 1.06 -0.51 -0.33 0.00 0.00 177.00 175.66 2osf s LEU 47 N -5.29 3.73 -0.28 -5.54 1.43 -1.26 -1.21 118.68 110.26 2osf s LEU 47 Ca 0.75 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.81 2osf s LEU 47 Cb -0.30 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.44 2osf s LEU 47 CO 0.47 -0.97 -0.06 -0.55 0.23 0.00 0.00 176.35 175.47 2osf s SER 48 N -2.19 4.46 -0.31 2.29 0.15 -0.19 -4.86 113.70 113.06 2osf s SER 48 Ca 0.67 -1.56 -0.09 0.00 0.70 0.00 0.00 55.95 55.66 2osf s SER 48 Cb -0.17 -1.52 -0.00 0.00 -1.71 0.00 0.00 66.02 62.61 2osf s SER 48 CO 0.26 -0.24 0.14 -0.69 1.20 0.00 0.00 173.24 173.91 2osf s VAL 49 N 1.09 4.50 -0.56 4.45 1.01 -1.26 -1.19 120.40 128.43 2osf s VAL 49 Ca -0.04 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2osf s VAL 49 Cb -0.20 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.02 2osf s VAL 49 CO -0.06 0.05 0.33 -0.44 0.00 0.00 0.00 175.10 174.99 2osf s SER 50 N 1.59 4.72 -0.02 3.32 0.01 0.15 -4.89 113.70 118.58 2osf s SER 50 Ca 0.04 -2.94 0.16 0.00 1.31 0.00 0.00 55.95 54.52 2osf s SER 50 Cb -0.17 -1.73 0.47 0.00 0.21 0.00 0.00 66.02 64.80 2osf s SER 50 CO 0.06 -0.29 1.40 -1.22 0.41 0.00 0.00 173.24 173.59 2osf n TYR 51 N 3.28 0.76 -0.34 2.43 4.01 -1.26 -1.48 117.16 124.57 2osf n TYR 51 Ca 0.06 -0.53 0.08 0.00 -0.16 0.00 0.00 57.90 57.35 2osf n TYR 51 Cb 0.35 -0.05 0.24 0.00 -0.31 0.00 0.00 39.34 39.56 2osf n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2osf h ASP 52 N 2.99 0.78 -0.66 7.72 3.58 -1.90 -2.62 116.42 126.31 2osf h ASP 52 Ca 0.00 0.07 -0.24 0.00 0.42 0.00 0.00 57.03 57.28 2osf h ASP 52 Cb 0.93 -0.08 -0.14 0.00 1.72 0.00 0.00 39.33 41.75 2osf h ASP 52 CO 0.03 0.38 0.25 0.00 -2.88 0.00 0.00 179.24 177.02 2osf n GLN 53 N -4.72 3.05 -1.76 0.28 1.13 -1.22 -5.01 117.38 109.13 2osf n GLN 53 Ca 0.19 -3.07 -0.41 0.00 -1.94 0.00 0.00 57.00 51.76 2osf n GLN 53 Cb 0.40 -2.10 -0.00 0.00 0.11 0.00 0.00 30.24 28.65 2osf n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2osf n ALA 54 N -0.54 2.19 -3.99 -1.58 0.00 -0.99 -4.57 120.51 111.03 2osf n ALA 54 Ca 0.41 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.88 2osf n ALA 54 Cb 1.32 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 2osf n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2osf s THR 55 N -1.05 2.41 0.45 0.00 2.01 -1.26 -4.94 115.64 113.25 2osf s THR 55 Ca 0.54 -2.63 -0.22 0.00 0.31 0.00 0.00 61.69 59.70 2osf s THR 55 Cb -0.49 -2.74 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 2osf s THR 55 CO 0.63 -0.66 1.02 -0.94 -0.69 0.00 0.00 174.62 173.98 2osf s SER 56 N 0.58 6.61 -0.11 3.53 1.04 -1.26 -0.81 113.70 123.28 2osf s SER 56 Ca 0.13 1.90 -0.05 0.00 0.48 0.00 0.00 55.95 58.41 2osf s SER 56 Cb -0.21 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.30 2osf s SER 56 CO -0.06 -0.60 -0.14 0.18 0.98 0.00 0.00 173.24 173.61 2osf n LEU 57 N -0.61 0.77 -3.53 2.42 4.77 0.66 -4.24 117.00 117.23 2osf n LEU 57 Ca 0.07 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 2osf n LEU 57 Cb 0.52 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2osf n LEU 57 CO 0.41 0.22 0.32 -0.60 -1.33 0.00 0.00 177.39 176.41 2osf s ARG 58 N -2.19 1.11 -0.00 3.23 3.52 -1.19 -0.69 118.95 122.72 2osf s ARG 58 Ca -0.15 -0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 2osf s ARG 58 Cb 0.06 0.51 -0.02 0.00 -1.56 0.00 0.00 34.95 33.94 2osf s ARG 58 CO 0.19 -0.42 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.56 2osf s ILE 59 N -2.78 1.54 0.01 4.11 2.07 0.11 -1.02 121.20 125.24 2osf s ILE 59 Ca -0.03 -0.90 0.03 0.00 -1.41 0.00 0.00 60.65 58.33 2osf s ILE 59 Cb -0.00 -1.30 -0.01 0.00 0.13 0.00 0.00 42.46 41.28 2osf s ILE 59 CO -0.04 0.38 -0.10 -0.22 -1.91 0.00 0.00 174.94 173.04 2osf s LEU 60 N -0.62 2.08 -0.36 8.50 2.96 0.15 -1.36 118.68 130.04 2osf s LEU 60 Ca 0.07 -0.27 -0.13 0.00 -0.22 0.00 0.00 54.13 53.58 2osf s LEU 60 Cb -0.08 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 2osf s LEU 60 CO -0.00 0.05 0.25 0.21 -1.32 0.00 0.00 176.35 175.54 2osf s ASN 61 N -0.57 6.05 0.00 3.68 3.84 -0.30 -0.71 114.94 126.93 2osf s ASN 61 Ca 0.01 -0.55 0.21 0.00 0.21 0.00 0.00 52.86 52.74 2osf s ASN 61 Cb -0.05 -2.14 0.56 0.00 -0.55 0.00 0.00 41.25 39.07 2osf s ASN 61 CO 0.00 -0.29 1.47 -0.46 -2.79 0.00 0.00 177.10 175.04 2osf n ASN 62 N 5.11 3.74 0.00 -4.21 0.23 -0.85 -0.46 115.26 118.82 2osf n ASN 62 Ca -0.12 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 2osf n ASN 62 Cb 0.49 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 2osf n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2osf n GLY 63 N 1.50 0.91 0.00 4.83 0.00 -1.26 -4.79 105.19 106.37 2osf n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2osf n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2osf n HIS 64 N -2.00 0.00 -3.47 1.61 8.25 -1.26 -4.72 115.22 113.63 2osf n HIS 64 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 2osf n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2osf n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2osf n ALA 65 N -1.63 -0.92 -2.52 -1.41 0.00 -1.26 -4.88 120.51 107.88 2osf n ALA 65 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 53.44 52.40 2osf n ALA 65 Cb 0.37 0.57 -0.14 0.00 0.00 0.00 0.00 19.45 20.25 2osf n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2osf s PHE 66 N -5.13 2.60 -0.12 0.00 -0.12 -1.26 -2.00 117.98 111.95 2osf s PHE 66 Ca 0.09 -0.33 -0.01 0.00 -0.05 0.00 0.00 56.93 56.63 2osf s PHE 66 Cb -0.03 -1.62 -0.03 0.00 -0.63 0.00 0.00 43.02 40.72 2osf s PHE 66 CO 0.07 0.05 -0.07 -0.80 -0.05 0.00 0.00 175.22 174.42 2osf s ASN 67 N -0.54 4.56 -0.26 1.98 0.01 0.11 -4.24 114.94 116.56 2osf s ASN 67 Ca 0.07 -0.13 -0.14 0.00 -0.71 0.00 0.00 52.86 51.95 2osf s ASN 67 Cb -0.11 -1.50 -0.04 0.00 0.41 0.00 0.00 41.25 40.00 2osf s ASN 67 CO 0.01 0.24 0.33 -0.69 -1.51 0.00 0.00 177.10 175.48 2osf s VAL 68 N -0.08 5.21 -0.07 1.60 1.01 -0.19 -0.67 120.40 127.22 2osf s VAL 68 Ca 0.01 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 2osf s VAL 68 Cb -0.13 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2osf s VAL 68 CO 0.03 0.20 0.09 -1.61 0.00 0.00 0.00 175.10 173.81 2osf s GLU 69 N 1.83 3.21 0.23 2.72 2.02 -0.19 -1.45 118.70 127.07 2osf s GLU 69 Ca 0.14 -0.33 0.11 0.00 0.02 0.00 0.00 54.97 54.91 2osf s GLU 69 Cb -0.15 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 2osf s GLU 69 CO 0.09 0.71 -0.19 -0.06 0.02 0.00 0.00 175.26 175.83 2osf s PHE 70 N -1.07 2.37 -0.22 1.61 0.40 -0.10 -0.24 117.98 120.73 2osf s PHE 70 Ca 0.18 -0.32 -0.29 0.00 -0.60 0.00 0.00 56.93 55.90 2osf s PHE 70 Cb -0.12 -1.11 -0.01 0.00 0.51 0.00 0.00 43.02 42.29 2osf s PHE 70 CO 0.08 0.58 1.32 0.34 0.70 0.00 0.00 175.22 178.24 2osf s ASP 71 N -3.04 6.79 -0.23 1.36 2.15 0.01 -4.85 116.67 118.85 2osf s ASP 71 Ca 0.25 1.52 0.10 0.00 0.43 0.00 0.00 52.55 54.85 2osf s ASP 71 Cb -0.07 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.45 2osf s ASP 71 CO 0.13 -0.93 1.27 -0.90 -0.17 0.00 0.00 175.17 174.57 2osf n ASP 72 N 7.16 2.07 -0.07 -0.34 5.75 -1.26 -4.66 116.55 125.19 2osf n ASP 72 Ca 0.15 -3.88 0.14 0.00 -0.01 0.00 0.00 54.79 51.19 2osf n ASP 72 Cb 0.45 -0.54 0.56 0.00 -1.03 0.00 0.00 41.12 40.56 2osf n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2osf n SER 73 N -1.10 0.38 -3.96 -1.12 3.41 -1.26 -4.88 113.62 105.09 2osf n SER 73 Ca 0.23 -0.31 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 2osf n SER 73 Cb 0.77 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 2osf n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2osf s GLN 74 N -2.66 1.32 -1.20 4.33 -0.21 -1.26 -5.06 119.66 114.91 2osf s GLN 74 Ca 0.23 -1.19 -0.16 0.00 0.02 0.00 0.00 55.36 54.26 2osf s GLN 74 Cb 0.19 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.58 2osf s GLN 74 CO 0.52 -0.51 2.16 -0.25 -2.12 0.00 0.00 175.29 175.09 2osf n ASP 75 N -0.29 3.75 -0.07 5.90 10.43 -1.26 -4.58 116.55 130.43 2osf n ASP 75 Ca -0.05 -2.74 -0.20 0.00 2.57 0.00 0.00 54.79 54.36 2osf n ASP 75 Cb 0.63 -1.43 -0.12 0.00 1.84 0.00 0.00 41.12 42.03 2osf n ASP 75 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2osf h LYS 76 N 6.62 0.05 -4.12 -1.24 1.57 -1.89 -3.45 116.57 114.12 2osf h LYS 76 Ca 0.53 -0.09 -0.58 0.00 -1.87 0.00 0.00 60.65 58.64 2osf h LYS 76 Cb 0.60 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 32.56 2osf h LYS 76 CO 1.89 1.04 -0.78 0.00 -0.57 0.00 0.00 179.45 181.03 2osf s ALA 77 N -2.36 1.70 0.09 3.86 0.00 -1.26 -3.45 121.76 120.34 2osf s ALA 77 Ca -0.25 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.55 2osf s ALA 77 Cb 0.04 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2osf s ALA 77 CO 0.65 -1.20 -0.09 0.14 0.00 0.00 0.00 175.76 175.25 2osf s VAL 78 N 1.52 0.88 -0.09 0.00 -7.23 -0.55 -1.42 120.40 113.50 2osf s VAL 78 Ca -0.04 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2osf s VAL 78 Cb -0.18 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 2osf s VAL 78 CO -0.07 -0.59 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.75 2osf s LEU 79 N -2.47 2.57 0.24 1.32 2.96 -0.13 -0.68 118.68 122.49 2osf s LEU 79 Ca 0.05 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 2osf s LEU 79 Cb -0.02 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2osf s LEU 79 CO -0.01 0.23 0.28 -0.54 -1.32 0.00 0.00 176.35 174.99 2osf s LYS 80 N -0.04 1.42 2.70 1.98 1.02 -0.33 -1.74 119.74 124.75 2osf s LYS 80 Ca -0.04 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.38 2osf s LYS 80 Cb -0.14 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 2osf s LYS 80 CO 0.04 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 2osf n GLY 81 N -0.36 -0.64 7.00 -3.33 0.00 -1.26 -1.02 105.19 105.57 2osf n GLY 81 Ca 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2osf n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2osf n GLY 82 N 0.00 3.17 0.51 -0.02 0.00 -0.35 -1.00 105.19 107.50 2osf n GLY 82 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.94 2osf n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2osf n PRO 83 N 14.00 1.67 -3.11 1.61 -0.04 -1.26 -3.54 135.00 144.33 2osf n PRO 83 Ca 0.00 -1.01 -0.30 0.00 -0.04 0.00 0.00 63.50 62.14 2osf n PRO 83 Cb 0.00 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 2osf n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2osf s LEU 84 N -1.44 3.98 -0.26 1.53 1.43 -0.17 -5.06 118.68 118.68 2osf s LEU 84 Ca 0.29 1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 54.32 2osf s LEU 84 Cb 0.16 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2osf s LEU 84 CO 0.23 -0.27 0.09 -1.81 0.23 0.00 0.00 176.35 174.83 2osf s ASP 85 N -2.91 5.29 0.00 2.29 1.11 -1.26 -4.47 116.67 116.72 2osf s ASP 85 Ca 0.49 -0.21 0.00 0.00 0.18 0.00 0.00 52.55 53.01 2osf s ASP 85 Cb -0.11 -1.96 0.00 0.00 1.07 0.00 0.00 42.92 41.93 2osf s ASP 85 CO 0.27 -0.05 0.00 0.61 1.18 0.00 0.00 175.17 177.18 2osf n GLY 86 N 4.95 -2.13 3.59 0.21 0.00 -1.26 -4.92 105.19 105.62 2osf n GLY 86 Ca -0.16 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 2osf n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2osf s THR 87 N -0.17 4.49 -0.16 2.61 2.01 -1.26 -4.55 115.64 118.61 2osf s THR 87 Ca 0.00 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.87 2osf s THR 87 Cb 0.00 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.51 2osf s THR 87 CO 0.00 0.47 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.92 2osf s TYR 88 N 0.37 2.76 0.03 4.92 1.51 -0.71 -1.26 117.35 124.96 2osf s TYR 88 Ca 0.01 -1.26 -0.19 0.00 -1.01 0.00 0.00 57.07 54.62 2osf s TYR 88 Cb -0.13 -1.89 -0.06 0.00 -0.11 0.00 0.00 41.96 39.77 2osf s TYR 88 CO 0.01 -0.59 0.55 1.03 -1.11 0.00 0.00 175.55 175.44 2osf s ARG 89 N 0.96 4.21 0.09 -0.62 0.52 0.05 -0.96 118.95 123.21 2osf s ARG 89 Ca -0.03 0.68 -0.31 0.00 -0.52 0.00 0.00 55.73 55.55 2osf s ARG 89 Cb -0.15 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 31.97 2osf s ARG 89 CO -0.04 0.54 1.36 -1.17 0.02 0.00 0.00 175.30 176.02 2osf s LEU 90 N -0.74 4.37 -0.01 2.53 2.96 -0.51 -0.85 118.68 126.42 2osf s LEU 90 Ca 0.29 2.26 0.01 0.00 -0.22 0.00 0.00 54.13 56.46 2osf s LEU 90 Cb -0.18 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 2osf s LEU 90 CO 0.17 -0.63 -0.00 0.00 -1.32 0.00 0.00 176.35 174.57 2osf n ILE 91 N 4.02 0.08 -3.46 6.68 3.06 -0.36 -4.57 119.36 124.81 2osf n ILE 91 Ca 0.11 -0.04 -0.12 0.00 -2.50 0.00 0.00 62.75 60.20 2osf n ILE 91 Cb 0.43 -0.82 -0.03 0.00 0.54 0.00 0.00 39.64 39.77 2osf n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2osf s GLN 92 N -2.03 1.11 0.16 9.51 1.03 -1.22 -0.92 119.66 127.30 2osf s GLN 92 Ca -0.01 -0.32 0.06 0.00 0.04 0.00 0.00 55.36 55.13 2osf s GLN 92 Cb 0.00 0.51 -0.04 0.00 0.03 0.00 0.00 33.01 33.51 2osf s GLN 92 CO 0.04 -0.47 -0.13 -0.59 -2.54 0.00 0.00 175.29 171.60 2osf s PHE 93 N -3.19 1.48 0.31 9.60 -0.12 -0.53 -1.02 117.98 124.52 2osf s PHE 93 Ca 0.01 -0.62 -0.11 0.00 -0.05 0.00 0.00 56.93 56.16 2osf s PHE 93 Cb -0.01 -0.73 0.01 0.00 -0.63 0.00 0.00 43.02 41.66 2osf s PHE 93 CO -0.09 0.20 0.56 -3.38 -0.05 0.00 0.00 175.22 172.47 2osf s HIS 94 N -2.76 0.47 0.25 3.49 -3.43 -0.68 -1.02 115.29 111.61 2osf s HIS 94 Ca 0.16 -0.87 0.08 0.00 -0.80 0.00 0.00 55.06 53.63 2osf s HIS 94 Cb -0.01 0.29 -0.05 0.00 -1.43 0.00 0.00 32.58 31.38 2osf s HIS 94 CO 0.04 -1.18 -0.12 -0.06 -2.00 0.00 0.00 174.74 171.41 2osf s PHE 95 N -3.36 1.93 -0.03 0.38 0.40 -1.26 -0.75 117.98 115.29 2osf s PHE 95 Ca 0.22 -0.57 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 2osf s PHE 95 Cb -0.02 -0.97 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 2osf s PHE 95 CO 0.13 0.40 -0.22 -1.01 0.70 0.00 0.00 175.22 175.22 2osf s HIS 96 N -2.89 2.08 0.25 0.36 3.76 -0.40 -4.73 115.29 113.71 2osf s HIS 96 Ca 0.27 -0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 54.60 2osf s HIS 96 Cb 0.00 -1.35 -0.01 0.00 1.11 0.00 0.00 32.58 32.33 2osf s HIS 96 CO 0.10 -0.09 0.43 1.67 -0.85 0.00 0.00 174.74 176.00 2osf s TRP 97 N -0.37 0.52 0.42 1.40 -2.14 -1.22 -0.92 118.94 116.63 2osf s TRP 97 Ca 0.04 -0.85 0.08 0.00 2.66 0.00 0.00 56.10 58.03 2osf s TRP 97 Cb -0.10 0.07 -0.02 0.00 -3.10 0.00 0.00 33.47 30.32 2osf s TRP 97 CO 0.01 -0.96 0.37 0.20 -2.66 0.00 0.00 176.95 173.91 2osf s GLY 98 N -3.05 2.15 0.12 3.67 0.00 -1.18 -1.10 107.32 107.94 2osf s GLY 98 Ca 0.25 -1.89 0.26 0.00 0.00 0.00 0.00 44.72 43.34 2osf s GLY 98 CO 0.10 -1.71 1.64 -1.14 0.00 0.00 0.00 173.10 171.99 2osf n SER 99 N -1.54 0.60 -4.04 1.64 3.41 -1.26 -4.39 113.62 108.04 2osf n SER 99 Ca 0.03 0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 2osf n SER 99 Cb 0.62 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.09 2osf n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2osf s LEU 100 N -4.01 2.33 0.54 1.04 1.43 -1.26 -5.05 118.68 113.70 2osf s LEU 100 Ca 0.10 -0.68 0.36 0.00 -1.03 0.00 0.00 54.13 52.87 2osf s LEU 100 Cb 0.14 0.07 1.75 0.00 0.03 0.00 0.00 46.19 48.19 2osf s LEU 100 CO 0.63 -0.38 2.07 0.44 0.23 0.00 0.00 176.35 179.35 2osf h ASP 101 N 4.08 0.00 -0.11 2.29 3.32 -1.93 -2.71 116.42 121.37 2osf h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2osf h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2osf h ASP 101 CO 0.50 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 2osf n GLY 102 N -0.63 -0.39 3.54 2.75 0.00 -1.26 -3.76 105.19 105.44 2osf n GLY 102 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 2osf n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2osf s GLN 103 N -1.86 1.41 0.00 1.61 -2.07 -1.02 -4.72 119.66 113.01 2osf s GLN 103 Ca 0.19 -0.89 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 2osf s GLN 103 Cb 0.10 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.54 2osf s GLN 103 CO 0.15 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 173.93 2osf n GLY 104 N -0.35 2.29 3.81 2.60 0.00 -1.11 -3.20 105.19 109.22 2osf n GLY 104 Ca -0.09 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 2osf n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2osf s SER 105 N 0.00 4.79 -0.21 1.61 1.04 -0.32 -3.42 113.70 117.19 2osf s SER 105 Ca 0.00 1.38 -0.16 0.00 0.48 0.00 0.00 55.95 57.65 2osf s SER 105 Cb 0.00 -2.16 -0.10 0.00 0.10 0.00 0.00 66.02 63.87 2osf s SER 105 CO 0.00 -1.79 -0.23 -0.62 0.98 0.00 0.00 173.24 171.57 2osf n GLU 106 N -3.33 0.54 -1.91 4.02 1.02 -1.26 -4.86 120.64 114.87 2osf n GLU 106 Ca 0.07 0.34 -0.33 0.00 -0.02 0.00 0.00 57.16 57.22 2osf n GLU 106 Cb 0.56 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 30.46 2osf n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2osf s HIS 107 N -2.58 2.71 0.20 -0.32 3.76 -1.26 -4.48 115.29 113.33 2osf s HIS 107 Ca -0.30 1.54 0.07 0.00 -0.15 0.00 0.00 55.06 56.22 2osf s HIS 107 Cb 0.08 -3.15 -0.05 0.00 1.11 0.00 0.00 32.58 30.57 2osf s HIS 107 CO 0.44 -1.53 -0.13 0.95 -0.85 0.00 0.00 174.74 173.62 2osf s THR 108 N -2.27 1.60 -0.21 1.30 -4.23 -1.17 -4.72 115.64 105.94 2osf s THR 108 Ca 0.67 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 2osf s THR 108 Cb -0.20 -2.04 0.05 0.00 1.34 0.00 0.00 72.50 71.64 2osf s THR 108 CO 0.38 -0.60 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.07 2osf s VAL 109 N -3.06 1.76 -1.48 2.29 1.01 -0.76 -0.44 120.40 119.73 2osf s VAL 109 Ca 0.22 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2osf s VAL 109 Cb 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.58 2osf s VAL 109 CO 0.06 0.14 0.49 0.47 0.00 0.00 0.00 175.10 176.25 2osf n ASP 110 N 4.63 -1.00 0.00 3.32 8.00 0.74 -0.40 116.55 131.83 2osf n ASP 110 Ca -0.15 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2osf n ASP 110 Cb 0.46 -2.93 0.00 0.00 -0.02 0.00 0.00 41.12 38.63 2osf n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2osf n LYS 111 N -4.42 -1.03 -2.48 -1.24 4.76 -1.26 -4.98 118.16 107.51 2osf n LYS 111 Ca -0.22 0.26 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 2osf n LYS 111 Cb 0.64 -4.44 -0.03 0.00 -1.84 0.00 0.00 35.03 29.36 2osf n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2osf s LYS 112 N -1.33 4.44 -0.06 1.97 2.20 0.46 -5.02 119.74 122.40 2osf s LYS 112 Ca 0.00 1.68 -0.10 0.00 -0.36 0.00 0.00 55.97 57.19 2osf s LYS 112 Cb 0.00 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 2osf s LYS 112 CO 0.00 -0.26 0.26 0.15 -0.36 0.00 0.00 175.35 175.14 2osf s LYS 113 N 1.33 3.64 0.44 4.03 1.02 -1.26 -1.82 119.74 127.12 2osf s LYS 113 Ca 0.57 0.09 0.08 0.00 0.02 0.00 0.00 55.97 56.73 2osf s LYS 113 Cb -0.27 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2osf s LYS 113 CO 0.27 0.73 0.52 0.71 -0.92 0.00 0.00 175.35 176.66 2osf s TYR 114 N -1.08 2.56 -0.02 3.18 2.02 -1.26 -4.76 117.35 117.98 2osf s TYR 114 Ca 0.20 -0.49 0.26 0.00 -0.37 0.00 0.00 57.07 56.66 2osf s TYR 114 Cb -0.14 -2.26 0.84 0.00 -0.40 0.00 0.00 41.96 40.00 2osf s TYR 114 CO 0.09 -0.39 1.79 0.00 -1.57 0.00 0.00 175.55 175.46 2osf h ALA 115 N 0.74 0.97 -2.39 3.71 0.00 -1.42 -0.78 119.26 120.08 2osf h ALA 115 Ca -0.39 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.54 2osf h ALA 115 Cb 1.28 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2osf h ALA 115 CO 0.50 0.19 0.46 0.00 0.00 0.00 0.00 179.25 180.40 2osf s ALA 116 N -3.49 -1.65 -0.02 0.00 0.00 -1.19 -3.09 121.76 112.33 2osf s ALA 116 Ca 0.02 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 2osf s ALA 116 Cb 0.09 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.86 2osf s ALA 116 CO 0.63 -0.99 0.03 -2.00 0.00 0.00 0.00 175.76 173.44 2osf s GLU 117 N -3.32 -0.03 -0.09 0.00 2.12 -0.09 -1.37 118.70 115.92 2osf s GLU 117 Ca 0.11 0.17 -0.18 0.00 0.36 0.00 0.00 54.97 55.43 2osf s GLU 117 Cb -0.02 -0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.12 2osf s GLU 117 CO 0.01 -0.15 0.47 -1.17 -0.54 0.00 0.00 175.26 173.88 2osf s LEU 118 N 0.93 4.31 -0.23 2.70 2.96 0.34 -1.27 118.68 128.42 2osf s LEU 118 Ca -0.08 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 2osf s LEU 118 Cb -0.11 -2.68 0.03 0.00 0.50 0.00 0.00 46.19 43.93 2osf s LEU 118 CO -0.03 0.06 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.95 2osf s HIS 119 N 0.30 3.04 -0.38 5.38 3.76 0.07 -1.03 115.29 126.43 2osf s HIS 119 Ca 0.25 -1.81 -0.13 0.00 -0.15 0.00 0.00 55.06 53.22 2osf s HIS 119 Cb -0.15 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.57 2osf s HIS 119 CO 0.11 -0.80 0.26 -0.51 -0.85 0.00 0.00 174.74 172.95 2osf s LEU 120 N 1.25 4.85 -0.22 0.89 1.43 0.06 -1.69 118.68 125.25 2osf s LEU 120 Ca -0.01 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.14 2osf s LEU 120 Cb -0.16 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2osf s LEU 120 CO -0.07 -0.38 0.31 -0.69 0.23 0.00 0.00 176.35 175.75 2osf s VAL 121 N 1.65 5.26 0.09 -1.59 1.01 -0.19 -1.25 120.40 125.38 2osf s VAL 121 Ca 0.04 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.61 2osf s VAL 121 Cb -0.19 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2osf s VAL 121 CO 0.09 0.28 -0.18 -1.00 0.00 0.00 0.00 175.10 174.29 2osf s HIS 122 N 1.25 1.57 0.07 5.22 3.76 -0.22 -1.23 115.29 125.70 2osf s HIS 122 Ca 0.15 -0.43 0.07 0.00 -0.15 0.00 0.00 55.06 54.70 2osf s HIS 122 Cb -0.14 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 2osf s HIS 122 CO 0.07 0.14 -0.18 1.67 -0.85 0.00 0.00 174.74 175.59 2osf s TRP 123 N -1.17 1.56 -0.24 1.40 1.48 -0.03 -0.95 118.94 121.00 2osf s TRP 123 Ca 0.03 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.38 2osf s TRP 123 Cb -0.10 -0.89 -0.01 0.00 -1.16 0.00 0.00 33.47 31.31 2osf s TRP 123 CO 0.03 0.11 1.44 1.21 -4.06 0.00 0.00 176.95 175.68 2osf s ASN 124 N -1.53 6.60 0.00 -2.66 3.84 0.23 -0.77 114.94 120.65 2osf s ASN 124 Ca 0.04 1.49 0.09 0.00 0.21 0.00 0.00 52.86 54.69 2osf s ASN 124 Cb -0.09 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.52 2osf s ASN 124 CO 0.03 -1.10 1.12 0.35 -2.79 0.00 0.00 177.10 174.71 2osf n THR 125 N 6.13 0.69 0.44 -5.21 -2.24 -0.39 -1.65 114.28 112.05 2osf n THR 125 Ca 0.16 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.25 2osf n THR 125 Cb 0.46 -1.03 0.42 0.00 -2.10 0.00 0.00 70.33 68.07 2osf n THR 125 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2osf h LYS 126 N 0.00 0.00 -0.39 -0.78 2.10 -1.89 -2.29 116.57 113.31 2osf h LYS 126 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2osf h LYS 126 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2osf h LYS 126 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 2osf n TYR 127 N -2.53 0.51 0.00 0.07 4.01 -0.66 -4.98 117.16 113.58 2osf n TYR 127 Ca 0.04 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2osf n TYR 127 Cb 0.38 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 2osf n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2osf n GLY 128 N 1.46 1.61 3.54 2.72 0.00 -0.86 -4.53 105.19 109.12 2osf n GLY 128 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2osf n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2osf s ASP 129 N 0.03 -0.22 0.18 1.61 1.47 -1.26 -5.06 116.67 113.43 2osf s ASP 129 Ca 0.00 -0.57 -0.13 0.00 1.18 0.00 0.00 52.55 53.03 2osf s ASP 129 Cb 0.00 0.58 0.11 0.00 -0.34 0.00 0.00 42.92 43.27 2osf s ASP 129 CO 0.00 -1.07 1.80 0.15 0.68 0.00 0.00 175.17 176.73 2osf h PHE 130 N 2.22 0.54 -0.84 2.11 3.57 -1.94 -1.55 116.94 121.04 2osf h PHE 130 Ca -0.28 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.35 2osf h PHE 130 Cb 1.26 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.75 2osf h PHE 130 CO 0.36 0.29 0.48 0.78 -2.23 0.00 0.00 178.31 177.99 2osf h GLY 131 N 0.57 1.33 1.10 2.40 0.00 -1.97 -1.53 103.07 104.98 2osf h GLY 131 Ca 0.21 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 2osf h GLY 131 CO -0.12 0.09 -0.64 0.50 0.00 0.00 0.00 176.54 176.37 2osf h LYS 132 N 0.76 0.77 -0.96 4.80 1.79 -1.76 -3.32 116.57 118.65 2osf h LYS 132 Ca 0.42 -0.57 0.04 0.00 -2.18 0.00 0.00 60.65 58.36 2osf h LYS 132 Cb 0.45 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.14 2osf h LYS 132 CO -0.28 1.19 0.62 0.00 -1.08 0.00 0.00 179.45 179.90 2osf h ALA 133 N 0.58 1.26 0.00 3.86 0.00 -0.53 -2.35 119.26 122.08 2osf h ALA 133 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2osf h ALA 133 Cb 1.26 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2osf h ALA 133 CO 0.14 0.50 0.00 1.33 0.00 0.00 0.00 179.25 181.22 2osf n VAL 134 N -4.48 0.87 0.28 0.00 0.24 -0.65 -1.52 118.33 113.08 2osf n VAL 134 Ca 0.13 0.22 0.08 0.00 -2.04 0.00 0.00 64.34 62.72 2osf n VAL 134 Cb 0.09 -0.99 0.23 0.00 -1.47 0.00 0.00 33.84 31.71 2osf n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2osf n GLN 135 N -1.40 2.40 -4.61 7.34 6.02 -0.88 -4.70 117.38 121.55 2osf n GLN 135 Ca 0.05 -1.88 -0.26 0.00 -0.01 0.00 0.00 57.00 54.90 2osf n GLN 135 Cb 0.14 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 29.77 2osf n GLN 135 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2osf s GLN 136 N -1.45 1.38 0.57 -1.09 -1.52 -0.57 -5.02 119.66 111.95 2osf s GLN 136 Ca 0.34 -0.98 0.35 0.00 -1.95 0.00 0.00 55.36 53.12 2osf s GLN 136 Cb 0.19 -1.52 1.58 0.00 -0.22 0.00 0.00 33.01 33.05 2osf s GLN 136 CO 0.21 0.38 2.07 -1.00 -0.25 0.00 0.00 175.29 176.71 2osf h PRO 137 N 4.76 0.00 -0.20 2.91 0.13 -1.86 -2.00 132.00 135.74 2osf h PRO 137 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 2osf h PRO 137 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 2osf h PRO 137 CO 0.43 0.03 -0.43 -0.40 -0.23 0.00 0.00 178.00 177.40 2osf n ASP 138 N -3.17 2.43 0.10 1.44 5.75 -1.26 -4.24 116.55 117.60 2osf n ASP 138 Ca -0.01 -3.86 -0.16 0.00 -0.01 0.00 0.00 54.79 50.76 2osf n ASP 138 Cb 0.26 -0.53 -0.14 0.00 -1.03 0.00 0.00 41.12 39.67 2osf n ASP 138 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2osf h GLY 139 N 1.18 0.31 -3.90 6.12 0.00 -1.24 -3.43 103.07 102.12 2osf h GLY 139 Ca 0.11 -0.79 -0.69 0.00 0.00 0.00 0.00 47.33 45.97 2osf h GLY 139 CO 0.22 0.69 -0.86 1.08 0.00 0.00 0.00 176.54 177.67 2osf s LEU 140 N -7.16 2.38 -0.08 3.11 1.43 0.08 -0.60 118.68 117.84 2osf s LEU 140 Ca -0.04 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 2osf s LEU 140 Cb 0.07 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 45.04 2osf s LEU 140 CO 0.88 0.18 -0.09 0.00 0.23 0.00 0.00 176.35 177.55 2osf s ALA 141 N -1.10 1.23 -0.14 4.21 0.00 -0.12 -0.76 121.76 125.07 2osf s ALA 141 Ca 0.15 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2osf s ALA 141 Cb -0.10 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2osf s ALA 141 CO 0.07 -0.13 -0.17 0.08 0.00 0.00 0.00 175.76 175.61 2osf s VAL 142 N 1.15 1.72 -0.23 0.00 1.01 -0.96 -1.05 120.40 122.04 2osf s VAL 142 Ca -0.06 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 2osf s VAL 142 Cb -0.14 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2osf s VAL 142 CO -0.02 0.48 0.67 -0.22 0.00 0.00 0.00 175.10 176.02 2osf s LEU 143 N 1.19 4.09 -0.16 3.92 2.96 -0.38 -1.25 118.68 129.05 2osf s LEU 143 Ca -0.01 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 2osf s LEU 143 Cb -0.14 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 2osf s LEU 143 CO -0.07 -0.37 -0.03 -0.83 -1.32 0.00 0.00 176.35 173.73 2osf s GLY 144 N 1.36 1.74 -0.07 7.98 0.00 0.27 -0.76 107.32 117.83 2osf s GLY 144 Ca 0.29 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.21 2osf s GLY 144 CO 0.09 -0.06 -0.11 -0.42 0.00 0.00 0.00 173.10 172.61 2osf s ILE 145 N 0.36 1.06 0.36 0.90 1.01 -0.20 -1.30 121.20 123.40 2osf s ILE 145 Ca -0.03 -0.41 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 2osf s ILE 145 Cb -0.14 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.23 2osf s ILE 145 CO 0.03 0.35 0.95 -0.36 0.00 0.00 0.00 174.94 175.91 2osf s PHE 146 N 0.87 3.54 -0.15 3.97 0.08 -1.26 -0.51 117.98 124.52 2osf s PHE 146 Ca -0.11 1.72 -0.01 0.00 0.12 0.00 0.00 56.93 58.65 2osf s PHE 146 Cb -0.15 -2.91 -0.01 0.00 -0.57 0.00 0.00 43.02 39.37 2osf s PHE 146 CO 0.01 0.05 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.54 2osf s LEU 147 N -2.46 2.69 0.26 -0.37 1.02 -0.47 -0.79 118.68 118.55 2osf s LEU 147 Ca 0.55 -0.36 0.11 0.00 0.02 0.00 0.00 54.13 54.44 2osf s LEU 147 Cb -0.16 -1.62 -0.05 0.00 0.02 0.00 0.00 46.19 44.39 2osf s LEU 147 CO 0.20 0.12 -0.14 -1.59 0.02 0.00 0.00 176.35 174.97 2osf s LYS 148 N 0.59 1.86 -0.09 1.70 -2.85 -0.55 -1.72 119.74 118.68 2osf s LYS 148 Ca -0.07 -1.61 -0.21 0.00 -1.00 0.00 0.00 55.97 53.08 2osf s LYS 148 Cb -0.16 -1.92 -0.04 0.00 -2.06 0.00 0.00 37.83 33.66 2osf s LYS 148 CO 0.03 0.36 0.58 0.08 0.10 0.00 0.00 175.35 176.50 2osf s VAL 149 N -2.31 5.12 0.00 1.79 1.01 -1.26 -1.13 120.40 123.62 2osf s VAL 149 Ca 0.29 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2osf s VAL 149 Cb -0.06 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2osf s VAL 149 CO 0.16 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2osf n GLY 150 N 3.18 0.58 3.88 4.51 0.00 0.48 -4.89 105.19 112.93 2osf n GLY 150 Ca -0.04 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 2osf n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2osf s SER 151 N 2.00 6.38 0.56 1.61 1.04 -1.26 -4.07 113.70 119.97 2osf s SER 151 Ca 0.00 1.22 -0.19 0.00 0.48 0.00 0.00 55.95 57.46 2osf s SER 151 Cb 0.00 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 2osf s SER 151 CO 0.00 -0.62 1.13 0.00 0.98 0.00 0.00 173.24 174.73 2osf s ALA 152 N -2.75 2.65 -0.37 5.32 0.00 -1.26 -2.53 121.76 122.82 2osf s ALA 152 Ca 0.52 0.78 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 2osf s ALA 152 Cb -0.10 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.72 2osf s ALA 152 CO 0.42 -0.86 0.16 0.21 0.00 0.00 0.00 175.76 175.69 2osf s LYS 153 N -3.43 2.57 0.23 0.00 2.47 -1.25 -4.82 119.74 115.51 2osf s LYS 153 Ca 0.72 -1.32 -0.07 0.00 -1.56 0.00 0.00 55.97 53.74 2osf s LYS 153 Cb -0.23 -3.58 0.30 0.00 -1.46 0.00 0.00 37.83 32.86 2osf s LYS 153 CO 0.30 -0.79 1.82 -1.35 0.16 0.00 0.00 175.35 175.49 2osf h PRO 154 N 8.27 0.77 0.00 4.03 0.11 -1.92 -0.80 132.00 142.45 2osf h PRO 154 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2osf h PRO 154 Cb 1.08 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2osf h PRO 154 CO 0.66 0.51 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 2osf n GLY 155 N -1.31 -0.79 0.05 -0.55 0.00 -1.26 -2.21 105.19 99.13 2osf n GLY 155 Ca 0.11 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2osf n GLY 155 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2osf n LEU 156 N -1.38 0.58 0.12 0.99 7.94 -0.31 -4.50 117.00 120.45 2osf n LEU 156 Ca 0.05 0.09 0.01 0.00 -1.11 0.00 0.00 56.01 55.04 2osf n LEU 156 Cb 0.12 -0.07 0.31 0.00 0.53 0.00 0.00 43.42 44.30 2osf n LEU 156 CO 0.10 -0.03 0.74 -0.61 -1.11 0.00 0.00 177.39 176.48 2osf h GLN 157 N 0.00 0.18 -0.54 1.96 5.75 -1.45 -1.82 115.11 119.19 2osf h GLN 157 Ca 0.00 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 2osf h GLN 157 Cb 0.85 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 2osf h GLN 157 CO 0.00 0.48 0.19 0.87 -2.65 0.00 0.00 178.83 177.72 2osf h LYS 158 N 0.16 0.79 -0.02 1.69 1.57 -1.79 0.11 116.57 119.09 2osf h LYS 158 Ca 0.02 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2osf h LYS 158 Cb 0.63 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2osf h LYS 158 CO 0.05 0.66 0.00 0.28 -0.57 0.00 0.00 179.45 179.87 2osf h VAL 159 N 0.77 1.21 -0.21 0.50 2.07 -1.63 -3.16 116.25 115.80 2osf h VAL 159 Ca 0.18 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 2osf h VAL 159 Cb 0.19 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2osf h VAL 159 CO -0.01 0.16 -0.15 -0.37 0.02 0.00 0.00 177.57 177.21 2osf h VAL 160 N -0.23 1.22 0.00 2.57 -1.51 -0.93 -2.16 116.25 115.21 2osf h VAL 160 Ca 0.00 -0.97 -0.03 0.00 -1.23 0.00 0.00 66.70 64.47 2osf h VAL 160 Cb 0.26 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2osf h VAL 160 CO 0.00 0.31 -0.15 0.44 -1.23 0.00 0.00 177.57 176.94 2osf h ASP 161 N 0.33 0.00 0.10 4.19 3.32 -0.78 -2.80 116.42 120.79 2osf h ASP 161 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2osf h ASP 161 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2osf h ASP 161 CO 0.03 0.15 -0.13 1.33 -1.72 0.00 0.00 179.24 178.90 2osf n VAL 162 N -4.11 0.00 0.23 -1.35 0.24 -0.82 -4.29 118.33 108.23 2osf n VAL 162 Ca -0.02 -0.20 0.06 0.00 -2.04 0.00 0.00 64.34 62.14 2osf n VAL 162 Cb 0.23 0.49 0.52 0.00 -1.47 0.00 0.00 33.84 33.61 2osf n VAL 162 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2osf h LEU 163 N 1.89 0.00 -1.55 1.34 3.38 -1.49 -0.90 115.31 117.98 2osf h LEU 163 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 2osf h LEU 163 Cb 0.52 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 2osf h LEU 163 CO 0.00 0.18 0.66 0.44 0.09 0.00 0.00 178.44 179.81 2osf h ASP 164 N 0.00 0.34 0.33 -0.43 3.32 -1.80 -1.54 116.42 116.64 2osf h ASP 164 Ca -0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2osf h ASP 164 Cb 0.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2osf h ASP 164 CO 0.02 0.10 -0.27 -1.54 -1.72 0.00 0.00 179.24 175.83 2osf n SER 165 N -4.50 0.81 -2.54 6.45 3.41 -0.34 -3.93 113.62 112.98 2osf n SER 165 Ca 0.22 -0.68 -0.15 0.00 -0.26 0.00 0.00 58.87 58.00 2osf n SER 165 Cb 0.85 0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.93 2osf n SER 165 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2osf n ILE 166 N -0.88 1.71 0.05 -1.33 -5.35 -0.59 -4.74 119.36 108.23 2osf n ILE 166 Ca 0.11 -3.80 -0.02 0.00 -0.27 0.00 0.00 62.75 58.78 2osf n ILE 166 Cb 0.33 -0.10 0.25 0.00 -1.74 0.00 0.00 39.64 38.38 2osf n ILE 166 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2osf h LYS 167 N 2.67 0.37 -6.16 6.28 3.64 -1.66 -3.42 116.57 118.29 2osf h LYS 167 Ca 0.09 -0.14 -0.57 0.00 -1.27 0.00 0.00 60.65 58.76 2osf h LYS 167 Cb 1.17 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.86 2osf h LYS 167 CO 0.59 0.61 -0.65 0.95 -2.27 0.00 0.00 179.45 178.68 2osf s THR 168 N -4.47 3.10 0.21 1.00 -4.23 -1.26 -0.56 115.64 109.43 2osf s THR 168 Ca -0.06 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.13 2osf s THR 168 Cb 0.14 -2.75 -0.13 0.00 1.34 0.00 0.00 72.50 71.10 2osf s THR 168 CO 0.77 -0.34 1.54 1.17 -0.54 0.00 0.00 174.62 177.22 2osf n LYS 169 N -0.87 2.24 0.00 3.99 4.81 -0.43 -2.09 118.16 125.81 2osf n LYS 169 Ca -0.06 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2osf n LYS 169 Cb 0.60 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.11 2osf n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2osf n GLY 170 N 2.88 1.79 3.75 3.14 0.00 0.39 -4.54 105.19 112.62 2osf n GLY 170 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2osf n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2osf s LYS 171 N -0.48 4.72 0.19 1.61 -0.14 -0.89 -4.87 119.74 119.89 2osf s LYS 171 Ca 0.00 1.68 0.04 0.00 -1.36 0.00 0.00 55.97 56.33 2osf s LYS 171 Cb 0.00 -3.23 -0.05 0.00 -1.68 0.00 0.00 37.83 32.87 2osf s LYS 171 CO 0.00 0.33 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.34 2osf s SER 172 N -0.96 1.74 0.00 2.83 1.04 -1.26 -1.15 113.70 115.94 2osf s SER 172 Ca 0.43 -1.13 -0.09 0.00 0.48 0.00 0.00 55.95 55.64 2osf s SER 172 Cb -0.30 0.01 0.01 0.00 0.10 0.00 0.00 66.02 65.85 2osf s SER 172 CO 0.37 -0.45 0.17 0.00 0.98 0.00 0.00 173.24 174.32 2osf s ALA 173 N -3.41 -0.42 0.30 5.32 0.00 -0.47 -4.92 121.76 118.15 2osf s ALA 173 Ca 0.23 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 2osf s ALA 173 Cb 0.04 0.11 -0.12 0.00 0.00 0.00 0.00 23.12 23.15 2osf s ALA 173 CO 0.05 -0.22 1.47 -0.25 0.00 0.00 0.00 175.76 176.81 2osf n ASP 174 N 1.39 3.31 -3.07 0.00 9.92 -1.26 -0.71 116.55 126.13 2osf n ASP 174 Ca -0.22 1.17 -0.18 0.00 -0.53 0.00 0.00 54.79 55.02 2osf n ASP 174 Cb 0.56 -1.53 -0.02 0.00 -0.64 0.00 0.00 41.12 39.49 2osf n ASP 174 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2osf n PHE 175 N 1.52 -0.90 -2.47 1.24 7.35 0.13 -4.71 117.46 119.62 2osf n PHE 175 Ca 0.08 -3.22 -0.27 0.00 -0.76 0.00 0.00 57.45 53.27 2osf n PHE 175 Cb 0.35 0.14 0.01 0.00 0.35 0.00 0.00 39.48 40.34 2osf n PHE 175 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2osf s THR 176 N -1.19 4.34 -1.63 -2.13 -4.23 -1.26 -3.63 115.64 105.92 2osf s THR 176 Ca 0.35 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2osf s THR 176 Cb 0.26 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.42 2osf s THR 176 CO -0.11 -0.70 0.15 0.59 -0.54 0.00 0.00 174.62 174.00 2osf n ASN 177 N -2.44 -5.63 -4.74 3.99 4.13 -1.26 -4.97 115.26 104.33 2osf n ASN 177 Ca 0.03 -0.06 -0.39 0.00 1.68 0.00 0.00 54.58 55.84 2osf n ASN 177 Cb 0.56 -4.67 -0.05 0.00 -1.54 0.00 0.00 39.78 34.08 2osf n ASN 177 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2osf s PHE 178 N -3.01 3.62 -0.39 3.10 5.36 -1.26 -5.03 117.98 120.36 2osf s PHE 178 Ca 0.08 1.20 -0.11 0.00 -0.96 0.00 0.00 56.93 57.13 2osf s PHE 178 Cb -0.04 -2.70 0.04 0.00 -0.34 0.00 0.00 43.02 39.98 2osf s PHE 178 CO 0.10 0.21 0.23 0.34 -1.46 0.00 0.00 175.22 174.64 2osf s ASP 179 N 0.35 5.78 0.00 6.13 -1.08 -1.26 -4.48 116.67 122.10 2osf s ASP 179 Ca 0.34 -1.09 0.16 0.00 -0.52 0.00 0.00 52.55 51.43 2osf s ASP 179 Cb -0.18 -2.04 0.81 0.00 -1.46 0.00 0.00 42.92 40.06 2osf s ASP 179 CO 0.17 -0.43 1.46 -0.81 0.52 0.00 0.00 175.17 176.08 2osf n PRO 180 N 5.01 0.23 0.28 4.34 -0.04 -1.26 -2.64 135.00 140.92 2osf n PRO 180 Ca -0.11 0.13 0.15 0.00 -0.04 0.00 0.00 63.50 63.62 2osf n PRO 180 Cb 0.45 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.20 2osf n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2osf h ARG 181 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.25 114.38 114.83 2osf h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2osf h ARG 181 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2osf h ARG 181 CO 0.00 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 2osf n GLY 182 N -0.63 -0.76 0.68 0.04 0.00 -1.08 -2.72 105.19 100.71 2osf n GLY 182 Ca -0.02 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.97 2osf n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2osf n LEU 183 N -0.89 2.41 -4.84 0.99 4.77 -0.47 -4.17 117.00 114.80 2osf n LEU 183 Ca 0.14 -0.99 -0.34 0.00 -0.03 0.00 0.00 56.01 54.79 2osf n LEU 183 Cb 0.06 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2osf n LEU 183 CO 0.11 0.43 0.33 -0.76 -1.33 0.00 0.00 177.39 176.16 2osf s LEU 184 N -1.46 4.22 0.95 2.23 1.43 -1.10 -4.95 118.68 120.00 2osf s LEU 184 Ca 0.20 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 2osf s LEU 184 Cb 0.14 -3.68 0.18 0.00 0.03 0.00 0.00 46.19 42.87 2osf s LEU 184 CO 0.22 -0.04 1.26 -2.16 0.23 0.00 0.00 176.35 175.86 2osf s PRO 185 N -2.44 0.75 0.14 1.29 0.04 -1.26 -4.98 135.00 128.54 2osf s PRO 185 Ca 0.46 -0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.18 2osf s PRO 185 Cb -0.13 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2osf s PRO 185 CO 0.19 -2.37 1.48 0.93 0.04 0.00 0.00 177.00 177.27 2osf h GLU 186 N -1.61 0.94 -5.84 4.56 5.08 -1.92 -3.44 114.58 112.34 2osf h GLU 186 Ca -0.45 -0.50 -0.64 0.00 -1.00 0.00 0.00 59.36 56.78 2osf h GLU 186 Cb 1.27 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 2osf h GLU 186 CO 0.45 1.15 -0.44 0.45 -1.00 0.00 0.00 179.01 179.62 2osf s SER 187 N -6.85 6.43 -0.25 1.42 0.15 -1.26 -5.00 113.70 108.34 2osf s SER 187 Ca -0.11 0.46 0.13 0.00 0.70 0.00 0.00 55.95 57.13 2osf s SER 187 Cb 0.11 -2.05 0.64 0.00 -1.71 0.00 0.00 66.02 63.01 2osf s SER 187 CO 0.88 0.27 1.61 0.18 1.20 0.00 0.00 173.24 177.38 2osf n LEU 188 N 1.13 4.95 -4.76 3.45 4.77 -1.26 -4.72 117.00 120.55 2osf n LEU 188 Ca -0.12 -3.19 -0.38 0.00 -0.03 0.00 0.00 56.01 52.29 2osf n LEU 188 Cb 0.53 -0.65 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2osf n LEU 188 CO 0.41 0.80 0.96 -1.81 -1.33 0.00 0.00 177.39 176.42 2osf s ASP 189 N -1.57 5.55 0.16 -1.43 1.01 -1.26 -4.73 116.67 114.40 2osf s ASP 189 Ca 0.49 2.69 -0.11 0.00 0.71 0.00 0.00 52.55 56.33 2osf s ASP 189 Cb 0.40 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.70 2osf s ASP 189 CO 0.10 -1.38 0.32 -0.72 0.21 0.00 0.00 175.17 173.71 2osf s TYR 190 N -1.34 0.23 0.13 4.23 -0.85 -1.26 -1.48 117.35 117.01 2osf s TYR 190 Ca 0.68 -0.60 0.05 0.00 -0.52 0.00 0.00 57.07 56.68 2osf s TYR 190 Cb -0.38 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 41.97 2osf s TYR 190 CO 0.46 -0.73 0.08 -1.58 -1.52 0.00 0.00 175.55 172.26 2osf s TRP 191 N -3.93 3.10 -0.05 -3.49 0.51 0.50 -0.88 118.94 114.71 2osf s TRP 191 Ca 0.13 -0.01 -0.06 0.00 -2.12 0.00 0.00 56.10 54.04 2osf s TRP 191 Cb 0.03 -1.53 0.01 0.00 -0.81 0.00 0.00 33.47 31.17 2osf s TRP 191 CO -0.03 0.51 0.15 -0.08 -0.51 0.00 0.00 176.95 177.00 2osf s THR 192 N -1.59 0.02 0.09 2.01 -1.32 0.10 -0.79 115.64 114.16 2osf s THR 192 Ca 0.29 -0.16 -0.19 0.00 -1.21 0.00 0.00 61.69 60.42 2osf s THR 192 Cb -0.11 -0.28 0.04 0.00 -1.51 0.00 0.00 72.50 70.65 2osf s THR 192 CO 0.22 -0.09 0.47 -0.72 -2.21 0.00 0.00 174.62 172.28 2osf s TYR 193 N -0.25 -0.33 0.01 9.09 1.13 -1.09 -1.04 117.35 124.88 2osf s TYR 193 Ca -0.03 0.18 -0.25 0.00 -1.41 0.00 0.00 57.07 55.56 2osf s TYR 193 Cb -0.03 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 41.10 2osf s TYR 193 CO 0.01 -0.68 0.76 -1.25 -2.51 0.00 0.00 175.55 171.88 2osf s PRO 194 N -3.14 4.48 0.00 -3.49 0.04 -1.26 -1.27 135.00 130.36 2osf s PRO 194 Ca -0.01 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2osf s PRO 194 Cb 0.00 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2osf s PRO 194 CO -0.07 0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2osf n GLY 195 N 2.61 4.00 3.28 0.56 0.00 0.67 -4.83 105.19 111.47 2osf n GLY 195 Ca -0.02 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2osf n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2osf s SER 196 N 1.78 0.82 0.61 1.61 1.04 -1.13 -2.50 113.70 115.92 2osf s SER 196 Ca 0.00 -1.52 -0.19 0.00 0.48 0.00 0.00 55.95 54.71 2osf s SER 196 Cb 0.00 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 2osf s SER 196 CO 0.00 -0.98 1.28 -0.76 0.98 0.00 0.00 173.24 173.76 2osf s LEU 197 N -3.25 3.67 0.00 2.42 1.43 -0.55 -4.51 118.68 117.89 2osf s LEU 197 Ca 0.38 2.58 0.22 0.00 -1.03 0.00 0.00 54.13 56.28 2osf s LEU 197 Cb 0.04 -4.53 0.51 0.00 0.03 0.00 0.00 46.19 42.24 2osf s LEU 197 CO 0.19 -1.77 1.45 0.35 0.23 0.00 0.00 176.35 176.80 2osf n THR 198 N -1.59 0.58 -4.31 5.49 -2.24 -1.26 -4.48 114.28 106.47 2osf n THR 198 Ca 0.14 -0.74 -0.21 0.00 -2.27 0.00 0.00 64.05 60.96 2osf n THR 198 Cb 0.48 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 69.36 2osf n THR 198 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2osf s THR 199 N -1.42 1.73 0.37 4.28 -4.23 -1.26 -4.68 115.64 110.43 2osf s THR 199 Ca 0.40 -1.83 -0.26 0.00 -1.18 0.00 0.00 61.69 58.82 2osf s THR 199 Cb 0.22 -1.76 -0.12 0.00 1.34 0.00 0.00 72.50 72.19 2osf s THR 199 CO 0.31 -0.29 1.04 -2.65 -0.54 0.00 0.00 174.62 172.49 2osf n PRO 200 N 0.44 1.46 -0.11 3.99 -0.02 -1.26 -0.61 135.00 138.89 2osf n PRO 200 Ca -0.14 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 61.88 2osf n PRO 200 Cb 0.57 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.10 2osf n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2osf n PRO 201 N 0.38 1.49 -2.17 0.52 -0.04 -1.26 -5.00 135.00 128.92 2osf n PRO 201 Ca 0.09 -0.59 -0.19 0.00 -0.04 0.00 0.00 63.50 62.77 2osf n PRO 201 Cb 0.37 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2osf n PRO 201 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2osf n LEU 202 N 0.00 -1.76 -4.77 1.53 4.77 0.22 -4.91 117.00 112.09 2osf n LEU 202 Ca 0.05 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.73 2osf n LEU 202 Cb 0.22 -2.72 -0.00 0.00 -2.33 0.00 0.00 43.42 38.59 2osf n LEU 202 CO 0.04 -0.39 1.04 -0.76 -1.33 0.00 0.00 177.39 176.00 2osf s LEU 203 N -5.22 4.25 -1.27 2.23 1.43 -1.26 -4.43 118.68 114.41 2osf s LEU 203 Ca 0.00 2.84 -0.08 0.00 -1.03 0.00 0.00 54.13 55.86 2osf s LEU 203 Cb 0.00 -3.80 0.17 0.00 0.03 0.00 0.00 46.19 42.59 2osf s LEU 203 CO 0.00 -0.89 1.91 -0.62 0.23 0.00 0.00 176.35 176.98 2osf n GLU 204 N 0.24 3.82 -0.09 1.70 1.02 -1.26 -1.48 120.64 124.59 2osf n GLU 204 Ca 0.03 -3.60 0.02 0.00 -0.02 0.00 0.00 57.16 53.59 2osf n GLU 204 Cb 0.42 -2.85 0.03 0.00 -0.02 0.00 0.00 31.44 29.01 2osf n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2osf s VAL 206 N -0.87 3.19 -0.43 0.00 1.01 -1.04 -0.74 120.40 121.52 2osf s VAL 206 Ca 0.06 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 2osf s VAL 206 Cb 0.05 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 34.11 2osf s VAL 206 CO 0.01 0.53 0.66 -0.89 0.00 0.00 0.00 175.10 175.40 2osf s THR 207 N 0.25 4.82 0.09 3.92 2.01 0.06 -0.24 115.64 126.55 2osf s THR 207 Ca -0.08 0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 2osf s THR 207 Cb -0.15 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 2osf s THR 207 CO 0.05 -0.57 0.86 0.26 -0.69 0.00 0.00 174.62 174.53 2osf s TRP 208 N 2.85 3.79 -0.28 4.92 0.52 -0.40 -2.25 118.94 128.10 2osf s TRP 208 Ca 0.24 1.65 0.01 0.00 0.02 0.00 0.00 56.10 58.02 2osf s TRP 208 Cb -0.14 -2.92 0.08 0.00 -1.15 0.00 0.00 33.47 29.33 2osf s TRP 208 CO 0.19 0.27 -0.00 0.42 0.02 0.00 0.00 176.95 177.85 2osf s ILE 209 N -0.17 1.65 -0.22 2.03 1.01 -0.38 -2.66 121.20 122.46 2osf s ILE 209 Ca 0.42 -1.57 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 2osf s ILE 209 Cb -0.22 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2osf s ILE 209 CO 0.27 -0.33 0.01 -0.69 0.00 0.00 0.00 174.94 174.19 2osf s VAL 210 N 1.29 3.93 0.27 2.92 1.01 0.03 -0.57 120.40 129.27 2osf s VAL 210 Ca 0.01 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2osf s VAL 210 Cb -0.19 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 2osf s VAL 210 CO -0.10 0.41 0.97 -0.76 0.00 0.00 0.00 175.10 175.62 2osf s LEU 211 N 1.24 4.57 0.14 3.92 1.43 -0.42 -0.37 118.68 129.18 2osf s LEU 211 Ca 0.04 2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 2osf s LEU 211 Cb -0.15 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 2osf s LEU 211 CO 0.01 0.05 1.55 0.50 0.23 0.00 0.00 176.35 178.69 2osf h LYS 212 N 3.88 0.86 -5.67 1.70 3.64 -1.60 -3.43 116.57 115.96 2osf h LYS 212 Ca -0.46 -0.33 -0.60 0.00 -1.27 0.00 0.00 60.65 57.99 2osf h LYS 212 Cb 1.20 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.88 2osf h LYS 212 CO 0.67 0.97 0.24 -2.00 -2.27 0.00 0.00 179.45 177.07 2osf s GLU 213 N -4.79 4.18 0.80 1.90 2.12 -1.26 -5.02 118.70 116.63 2osf s GLU 213 Ca -0.12 0.71 -0.12 0.00 0.36 0.00 0.00 54.97 55.80 2osf s GLU 213 Cb 0.11 -3.62 0.07 0.00 0.26 0.00 0.00 34.13 30.95 2osf s GLU 213 CO 0.84 -0.37 1.11 -1.25 -0.54 0.00 0.00 175.26 175.04 2osf s PRO 214 N 2.35 2.10 0.13 4.30 0.05 -1.26 -4.69 135.00 137.97 2osf s PRO 214 Ca 0.30 0.54 0.03 0.00 0.05 0.00 0.00 61.00 61.92 2osf s PRO 214 Cb -0.16 -1.93 -0.04 0.00 0.05 0.00 0.00 34.50 32.43 2osf s PRO 214 CO 0.09 -1.59 0.17 0.96 0.05 0.00 0.00 177.00 176.68 2osf s ILE 215 N -3.23 4.82 -0.06 0.56 -4.36 0.03 -4.88 121.20 114.08 2osf s ILE 215 Ca 0.61 -0.82 -0.04 0.00 -0.26 0.00 0.00 60.65 60.13 2osf s ILE 215 Cb -0.14 -3.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.12 2osf s ILE 215 CO 0.53 -0.02 0.14 -0.94 0.24 0.00 0.00 174.94 174.90 2osf s SER 216 N -2.89 6.24 0.18 4.36 1.04 -1.26 -1.48 113.70 119.89 2osf s SER 216 Ca 0.32 0.37 0.07 0.00 0.48 0.00 0.00 55.95 57.18 2osf s SER 216 Cb -0.11 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 2osf s SER 216 CO 0.25 0.33 -0.13 0.68 0.98 0.00 0.00 173.24 175.35 2osf s VAL 217 N -1.16 1.54 0.57 5.02 -7.23 -0.28 -3.82 120.40 115.03 2osf s VAL 217 Ca 0.21 -2.11 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 2osf s VAL 217 Cb -0.12 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.89 2osf s VAL 217 CO 0.11 -0.61 0.88 -0.94 -0.31 0.00 0.00 175.10 174.23 2osf s SER 218 N -3.16 5.70 0.27 4.85 1.04 -1.17 -0.39 113.70 120.84 2osf s SER 218 Ca 0.19 0.74 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 2osf s SER 218 Cb -0.00 -1.79 0.46 0.00 0.10 0.00 0.00 66.02 64.80 2osf s SER 218 CO 0.05 -0.99 1.86 -1.28 0.98 0.00 0.00 173.24 173.86 2osf h SER 219 N -0.11 1.00 0.05 7.02 0.87 -1.93 -1.72 113.55 118.72 2osf h SER 219 Ca -0.46 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.06 2osf h SER 219 Cb 1.25 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2osf h SER 219 CO 0.61 0.60 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.96 2osf h GLU 220 N 1.11 0.30 0.12 2.24 3.07 -1.95 0.36 114.58 119.83 2osf h GLU 220 Ca 0.46 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 2osf h GLU 220 Cb 0.29 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2osf h GLU 220 CO -0.21 0.51 -0.06 1.96 -1.40 0.00 0.00 179.01 179.81 2osf h GLN 221 N 0.28 -0.16 0.00 2.33 4.20 -1.70 -2.92 115.11 117.14 2osf h GLN 221 Ca 0.05 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2osf h GLN 221 Cb 0.54 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2osf h GLN 221 CO 0.04 0.17 -0.07 -0.24 -0.67 0.00 0.00 178.83 178.06 2osf h VAL 222 N -0.50 0.17 -0.89 -0.54 3.04 -1.26 -2.31 116.25 113.96 2osf h VAL 222 Ca -0.02 -0.69 0.01 0.00 -1.01 0.00 0.00 66.70 65.00 2osf h VAL 222 Cb 0.40 1.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.22 2osf h VAL 222 CO 0.03 0.06 0.59 -0.07 -1.01 0.00 0.00 177.57 177.17 2osf h LEU 223 N 0.00 1.01 -1.49 3.16 3.38 -0.82 -1.81 115.31 118.75 2osf h LEU 223 Ca -0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2osf h LEU 223 Cb 0.58 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2osf h LEU 223 CO 0.01 0.73 -0.26 0.11 0.09 0.00 0.00 178.44 179.12 2osf h LYS 224 N 1.20 0.00 -1.00 1.13 6.56 -1.23 -2.01 116.57 121.22 2osf h LYS 224 Ca 0.33 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.93 2osf h LYS 224 Cb -0.13 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.48 2osf h LYS 224 CO -0.07 0.26 0.66 0.74 -2.06 0.00 0.00 179.45 178.98 2osf h PHE 225 N 0.00 1.27 0.00 -1.35 -1.00 -1.33 -2.64 116.94 111.88 2osf h PHE 225 Ca -0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2osf h PHE 225 Cb 0.49 -0.43 0.00 0.00 3.61 0.00 0.00 35.95 39.63 2osf h PHE 225 CO 0.00 0.80 0.00 0.54 -1.61 0.00 0.00 178.31 178.04 2osf n ARG 226 N -4.38 0.57 0.00 1.51 1.74 -0.76 -2.57 116.66 112.78 2osf n ARG 226 Ca 0.12 0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 2osf n ARG 226 Cb 0.01 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.19 2osf n ARG 226 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2osf n LYS 227 N -1.12 0.23 -1.20 5.56 5.02 -1.00 -4.47 118.16 121.18 2osf n LYS 227 Ca 0.15 -0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2osf n LYS 227 Cb 0.12 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.79 2osf n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2osf s LEU 228 N -2.87 1.90 0.04 -0.35 1.43 -1.06 -4.84 118.68 112.93 2osf s LEU 228 Ca 0.14 1.31 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 2osf s LEU 228 Cb 0.18 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 2osf s LEU 228 CO 0.67 -2.89 -0.22 0.20 0.23 0.00 0.00 176.35 174.34 2osf s ASN 229 N -3.47 2.66 0.12 2.29 0.02 0.28 -0.22 114.94 116.61 2osf s ASN 229 Ca 0.64 -0.53 0.00 0.00 -1.02 0.00 0.00 52.86 51.96 2osf s ASN 229 Cb -0.18 -0.23 -0.17 0.00 0.02 0.00 0.00 41.25 40.69 2osf s ASN 229 CO 0.57 0.19 1.26 -0.26 0.02 0.00 0.00 177.10 178.88 2osf h PHE 230 N 4.91 0.32 -4.35 2.20 0.04 -1.34 -3.37 116.94 115.35 2osf h PHE 230 Ca -0.43 -0.21 -0.50 0.00 2.80 0.00 0.00 57.97 59.62 2osf h PHE 230 Cb 1.15 -0.02 0.09 0.00 2.20 0.00 0.00 35.95 39.37 2osf h PHE 230 CO 0.49 1.11 0.38 0.54 -0.60 0.00 0.00 178.31 180.22 2osf s ASN 231 N -6.97 5.30 0.62 2.17 4.22 -1.26 -4.48 114.94 114.54 2osf s ASN 231 Ca -0.03 1.43 -0.11 0.00 -2.14 0.00 0.00 52.86 52.02 2osf s ASN 231 Cb 0.09 -2.29 -0.04 0.00 1.28 0.00 0.00 41.25 40.29 2osf s ASN 231 CO 0.85 -1.47 1.02 -0.83 -2.04 0.00 0.00 177.10 174.63 2osf s GLY 232 N -3.97 1.65 0.42 0.45 0.00 -1.26 -1.31 107.32 103.29 2osf s GLY 232 Ca 0.58 -0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.94 2osf s GLY 232 CO 0.54 0.15 0.97 -2.21 0.00 0.00 0.00 173.10 172.55 2osf n GLU 233 N -2.74 1.27 -1.06 2.90 2.13 -1.26 -1.90 120.64 119.99 2osf n GLU 233 Ca 0.06 0.46 -0.02 0.00 0.66 0.00 0.00 57.16 58.31 2osf n GLU 233 Cb 0.54 -1.99 -0.01 0.00 0.27 0.00 0.00 31.44 30.25 2osf n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2osf n GLY 234 N 1.24 0.53 3.58 8.31 0.00 -1.26 -5.02 105.19 112.57 2osf n GLY 234 Ca 0.10 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 2osf n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2osf s GLU 235 N -1.23 1.98 0.27 1.61 2.02 -0.80 -5.10 118.70 117.46 2osf s GLU 235 Ca 0.00 -1.74 -0.29 0.00 0.02 0.00 0.00 54.97 52.95 2osf s GLU 235 Cb 0.00 -1.89 -0.14 0.00 0.10 0.00 0.00 34.13 32.21 2osf s GLU 235 CO 0.00 0.21 1.19 -2.30 0.02 0.00 0.00 175.26 174.38 2osf n PRO 236 N -0.85 1.66 -2.63 0.39 -0.02 -1.26 -4.91 135.00 127.38 2osf n PRO 236 Ca -0.05 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2osf n PRO 236 Cb 0.62 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2osf n PRO 236 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2osf s GLU 237 N -1.18 4.40 -0.17 -0.52 2.12 -1.26 -4.75 118.70 117.35 2osf s GLU 237 Ca 0.62 1.46 0.00 0.00 0.36 0.00 0.00 54.97 57.42 2osf s GLU 237 Cb -0.68 -3.55 0.03 0.00 0.26 0.00 0.00 34.13 30.19 2osf s GLU 237 CO 0.57 -0.36 -0.11 -1.83 -0.54 0.00 0.00 175.26 172.99 2osf s GLU 238 N 2.09 1.99 0.40 4.30 -1.05 -1.26 -5.05 118.70 120.12 2osf s GLU 238 Ca 0.50 -0.62 -0.25 0.00 -0.15 0.00 0.00 54.97 54.45 2osf s GLU 238 Cb -0.20 -2.15 -0.08 0.00 -0.44 0.00 0.00 34.13 31.26 2osf s GLU 238 CO 0.19 -0.34 1.21 -0.51 0.95 0.00 0.00 175.26 176.76 2osf s LEU 239 N 1.50 4.19 -0.98 1.83 1.43 -1.26 -1.03 118.68 124.35 2osf s LEU 239 Ca 0.02 2.44 -0.23 0.00 -1.03 0.00 0.00 54.13 55.33 2osf s LEU 239 Cb -0.14 -3.99 0.05 0.00 0.03 0.00 0.00 46.19 42.13 2osf s LEU 239 CO -0.09 -0.75 1.42 -0.32 0.23 0.00 0.00 176.35 176.84 2osf s MET 240 N -2.29 3.54 0.05 1.70 -2.45 0.69 -4.61 119.30 115.93 2osf s MET 240 Ca 0.57 -1.02 -0.02 0.00 -1.25 0.00 0.00 55.69 53.97 2osf s MET 240 Cb -0.33 -5.21 -0.03 0.00 1.25 0.00 0.00 34.83 30.51 2osf s MET 240 CO 0.42 -2.19 0.01 0.14 1.05 0.00 0.00 175.02 174.44 2osf s VAL 241 N 5.03 0.20 -1.36 10.11 -7.23 -1.26 -4.48 120.40 121.42 2osf s VAL 241 Ca 0.44 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.96 2osf s VAL 241 Cb -0.01 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.58 2osf s VAL 241 CO -0.07 -0.89 0.80 0.47 -0.31 0.00 0.00 175.10 175.10 2osf n ASP 242 N 0.22 -2.29 -2.60 4.85 8.00 -0.26 -4.87 116.55 119.60 2osf n ASP 242 Ca -0.15 -0.79 -0.30 0.00 0.71 0.00 0.00 54.79 54.26 2osf n ASP 242 Cb 0.61 -4.12 -0.04 0.00 -0.02 0.00 0.00 41.12 37.55 2osf n ASP 242 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2osf n ASN 243 N -3.01 6.71 -4.34 -2.24 6.94 -1.02 -4.90 115.26 113.39 2osf n ASN 243 Ca -0.21 -3.32 -0.28 0.00 -0.02 0.00 0.00 54.58 50.76 2osf n ASN 243 Cb 0.64 -1.21 -0.13 0.00 -2.36 0.00 0.00 39.78 36.72 2osf n ASN 243 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2osf s TRP 244 N -2.13 2.13 -0.08 -2.53 1.48 -1.26 -4.54 118.94 112.00 2osf s TRP 244 Ca 0.57 -0.39 -0.11 0.00 -1.06 0.00 0.00 56.10 55.11 2osf s TRP 244 Cb 0.39 -1.19 -0.05 0.00 -1.16 0.00 0.00 33.47 31.46 2osf s TRP 244 CO -0.25 0.24 0.25 0.50 -4.06 0.00 0.00 176.95 173.63 2osf s ARG 245 N -1.77 3.72 0.79 3.25 3.52 -1.26 -4.98 118.95 122.22 2osf s ARG 245 Ca 0.11 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 2osf s ARG 245 Cb -0.10 -3.23 0.07 0.00 -1.56 0.00 0.00 34.95 30.13 2osf s ARG 245 CO 0.04 0.68 1.09 -1.25 -0.81 0.00 0.00 175.30 175.05 2osf s PRO 246 N -0.85 2.10 0.36 5.12 0.04 -1.26 -4.68 135.00 135.83 2osf s PRO 246 Ca 0.18 1.15 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 2osf s PRO 246 Cb -0.14 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 2osf s PRO 246 CO 0.07 -1.75 1.21 0.00 0.04 0.00 0.00 177.00 176.57 2osf n ALA 247 N -3.59 0.92 -2.66 8.56 0.00 -1.26 -4.38 120.51 118.09 2osf n ALA 247 Ca 0.09 0.33 -0.24 0.00 0.00 0.00 0.00 53.44 53.62 2osf n ALA 247 Cb 0.53 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 2osf n ALA 247 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2osf s GLN 248 N -1.90 2.37 0.12 0.00 -1.52 0.93 -4.95 119.66 114.71 2osf s GLN 248 Ca 0.58 -1.27 -0.31 0.00 -1.95 0.00 0.00 55.36 52.41 2osf s GLN 248 Cb -0.58 -2.27 -0.10 0.00 -0.22 0.00 0.00 33.01 29.85 2osf s GLN 248 CO 0.60 0.40 1.78 -1.25 -0.25 0.00 0.00 175.29 176.58 2osf s PRO 249 N -3.38 4.15 0.26 2.91 0.04 -1.26 -4.57 135.00 133.15 2osf s PRO 249 Ca 0.30 2.54 -0.00 0.00 0.04 0.00 0.00 61.00 63.87 2osf s PRO 249 Cb -0.08 -3.55 0.35 0.00 0.04 0.00 0.00 34.50 31.27 2osf s PRO 249 CO 0.20 -0.81 1.72 1.25 0.04 0.00 0.00 177.00 179.40 2osf h LEU 250 N 8.43 0.62 0.00 -3.56 5.85 -1.94 -3.45 115.31 121.27 2osf h LEU 250 Ca -0.45 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2osf h LEU 250 Cb 1.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2osf h LEU 250 CO 0.94 0.80 0.00 0.29 -0.34 0.00 0.00 178.44 180.14 2osf n LYS 251 N -4.15 0.00 -0.77 1.25 5.02 -1.26 -3.66 118.16 114.59 2osf n LYS 251 Ca 0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 2osf n LYS 251 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.33 2osf n LYS 251 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2osf n ASN 252 N -3.50 4.76 -4.25 4.39 5.15 -1.26 -4.81 115.26 115.75 2osf n ASN 252 Ca 0.00 -2.27 -0.15 0.00 -0.60 0.00 0.00 54.58 51.56 2osf n ASN 252 Cb 0.00 -1.08 -0.10 0.00 -0.53 0.00 0.00 39.78 38.07 2osf n ASN 252 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2osf s ARG 253 N 2.53 1.05 -0.16 1.20 0.52 -1.24 -5.14 118.95 117.71 2osf s ARG 253 Ca 0.45 -1.41 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2osf s ARG 253 Cb 0.16 -0.66 0.02 0.00 0.52 0.00 0.00 34.95 34.98 2osf s ARG 253 CO -0.02 0.09 -0.19 -1.14 0.02 0.00 0.00 175.30 174.06 2osf s GLN 254 N -3.56 2.78 0.11 3.54 0.74 -1.26 -5.08 119.66 116.93 2osf s GLN 254 Ca 0.15 -0.75 -0.31 0.00 0.05 0.00 0.00 55.36 54.50 2osf s GLN 254 Cb 0.01 -2.38 -0.07 0.00 1.10 0.00 0.00 33.01 31.67 2osf s GLN 254 CO 0.01 -0.16 1.34 0.42 -0.55 0.00 0.00 175.29 176.35 2osf s ILE 255 N 1.19 3.47 0.06 -2.34 1.01 -1.26 -4.82 121.20 118.50 2osf s ILE 255 Ca 0.01 1.06 0.04 0.00 0.00 0.00 0.00 60.65 61.77 2osf s ILE 255 Cb -0.14 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2osf s ILE 255 CO -0.09 0.09 -0.04 -0.54 0.00 0.00 0.00 174.94 174.35 2osf s LYS 256 N 1.04 2.48 0.03 2.79 1.02 -0.21 -1.86 119.74 125.03 2osf s LYS 256 Ca 0.63 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.85 2osf s LYS 256 Cb -0.35 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 2osf s LYS 256 CO 0.30 0.56 -0.14 0.00 -0.92 0.00 0.00 175.35 175.16 2osf s ALA 257 N -1.17 2.76 -2.34 5.17 0.00 0.30 0.01 121.76 126.50 2osf s ALA 257 Ca 0.21 -1.13 0.22 0.00 0.00 0.00 0.00 51.96 51.27 2osf s ALA 257 Cb -0.11 -0.89 0.77 0.00 0.00 0.00 0.00 23.12 22.88 2osf s ALA 257 CO 0.13 0.59 1.56 -1.13 0.00 0.00 0.00 175.76 176.91 2osf n SER 258 N 1.55 1.77 -3.91 0.00 3.41 -0.06 -1.18 113.62 115.21 2osf n SER 258 Ca -0.16 -1.70 -0.10 0.00 -0.26 0.00 0.00 58.87 56.65 2osf n SER 258 Cb 0.52 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 2osf n SER 258 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2osf s PHE 259 N -1.81 0.13 -1.31 7.33 -0.71 -1.26 -4.87 117.98 115.47 2osf s PHE 259 Ca 0.33 -0.30 0.10 0.00 -1.04 0.00 0.00 56.93 56.03 2osf s PHE 259 Cb 0.18 -0.10 0.08 0.00 -1.21 0.00 0.00 43.02 41.97 2osf s PHE 259 CO 0.28 -0.27 0.83 0.36 -1.34 0.00 0.00 175.22 175.08