#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dnf s VAL 2 N 0.00 2.55 -0.18 1.12 -7.23 -1.26 -5.02 120.40 110.38 3dnf s VAL 2 Ca 0.00 0.46 -0.15 0.00 -1.81 0.00 0.00 61.98 60.48 3dnf s VAL 2 Cb 0.00 -3.29 0.05 0.00 0.56 0.00 0.00 36.38 33.70 3dnf s VAL 2 CO 0.00 0.07 0.48 -1.81 -0.31 0.00 0.00 175.10 173.53 3dnf s ASP 3 N 0.39 -0.53 -0.33 4.85 1.01 -1.25 -5.10 116.67 115.71 3dnf s ASP 3 Ca 0.60 0.98 0.01 0.00 0.71 0.00 0.00 52.55 54.85 3dnf s ASP 3 Cb -0.43 0.96 0.08 0.00 1.01 0.00 0.00 42.92 44.55 3dnf s ASP 3 CO 0.44 -0.18 0.04 -0.51 0.21 0.00 0.00 175.17 175.18 3dnf s ILE 4 N 0.54 2.63 -0.10 0.77 1.10 -1.26 -2.61 121.20 122.27 3dnf s ILE 4 Ca -0.02 -1.94 0.01 0.00 -0.51 0.00 0.00 60.65 58.19 3dnf s ILE 4 Cb -0.04 -2.74 -0.02 0.00 0.15 0.00 0.00 42.46 39.81 3dnf s ILE 4 CO -0.03 -0.40 -0.13 -0.63 -2.11 0.00 0.00 174.94 171.64 3dnf s ILE 5 N 1.07 3.09 -0.20 2.00 1.01 0.14 -4.94 121.20 123.37 3dnf s ILE 5 Ca 0.03 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 3dnf s ILE 5 Cb -0.20 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 3dnf s ILE 5 CO -0.05 0.55 0.63 -0.63 0.00 0.00 0.00 174.94 175.44 3dnf s ILE 6 N -0.11 5.02 0.32 2.92 1.01 -1.26 -0.21 121.20 128.88 3dnf s ILE 6 Ca -0.01 1.19 -0.29 0.00 0.00 0.00 0.00 60.65 61.53 3dnf s ILE 6 Cb -0.14 -3.95 -0.12 0.00 0.01 0.00 0.00 42.46 38.27 3dnf s ILE 6 CO 0.03 0.10 1.53 0.00 0.00 0.00 0.00 174.94 176.61 3dnf n ALA 7 N 5.09 2.28 -1.73 9.38 0.00 0.27 -4.91 120.51 130.88 3dnf n ALA 7 Ca -0.01 0.37 -0.39 0.00 0.00 0.00 0.00 53.44 53.41 3dnf n ALA 7 Cb 0.50 -2.42 0.04 0.00 0.00 0.00 0.00 19.45 17.57 3dnf n ALA 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3dnf n GLU 8 N 1.54 1.68 -1.02 0.00 2.13 -1.26 -2.42 120.64 121.29 3dnf n GLU 8 Ca 0.06 0.62 -0.01 0.00 0.66 0.00 0.00 57.16 58.49 3dnf n GLU 8 Cb 0.37 -2.54 -0.00 0.00 0.27 0.00 0.00 31.44 29.54 3dnf n GLU 8 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3dnf n HIS 9 N -0.99 0.00 -2.06 4.31 8.25 -1.26 -4.76 115.22 118.71 3dnf n HIS 9 Ca 0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 3dnf n HIS 9 Cb 0.44 -0.70 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 3dnf n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dnf s ALA 10 N -1.74 3.57 0.00 -1.41 0.00 -1.01 -4.53 121.76 116.63 3dnf s ALA 10 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3dnf s ALA 10 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3dnf s ALA 10 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3dnf n GLY 11 N 1.61 0.45 3.76 0.00 0.00 -0.53 -4.85 105.19 105.62 3dnf n GLY 11 Ca 0.04 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 3dnf n GLY 11 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dnf s PHE 12 N 0.00 2.36 0.92 1.61 0.08 -1.20 -4.11 117.98 117.64 3dnf s PHE 12 Ca 0.00 1.30 -0.12 0.00 0.12 0.00 0.00 56.93 58.23 3dnf s PHE 12 Cb 0.00 -3.89 0.14 0.00 -0.57 0.00 0.00 43.02 38.70 3dnf s PHE 12 CO 0.00 -2.99 1.09 0.00 -0.10 0.00 0.00 175.22 173.22 3dnf h PHE 14 N -1.64 -1.47 -0.78 0.00 3.57 -1.96 -0.92 116.94 113.73 3dnf h PHE 14 Ca -0.50 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.16 3dnf h PHE 14 Cb 1.29 0.73 -0.05 0.00 2.79 0.00 0.00 35.95 40.71 3dnf h PHE 14 CO 0.40 -0.43 0.51 0.78 -2.23 0.00 0.00 178.31 177.34 3dnf h GLY 15 N -0.22 1.07 0.83 2.40 0.00 -1.98 -1.19 103.07 103.98 3dnf h GLY 15 Ca 0.16 -0.33 -0.20 0.00 0.00 0.00 0.00 47.33 46.95 3dnf h GLY 15 CO -0.72 0.24 -0.87 -2.08 0.00 0.00 0.00 176.54 173.11 3dnf h VAL 16 N 0.83 1.44 -0.66 4.60 2.07 -1.79 -1.29 116.25 121.46 3dnf h VAL 16 Ca 0.34 -2.42 0.12 0.00 0.82 0.00 0.00 66.70 65.56 3dnf h VAL 16 Cb 0.27 2.97 -0.08 0.00 -1.52 0.00 0.00 31.29 32.92 3dnf h VAL 16 CO -0.12 0.70 0.22 0.11 0.02 0.00 0.00 177.57 178.50 3dnf h LYS 17 N -0.18 0.37 -0.26 1.57 1.57 -1.01 0.79 116.57 119.41 3dnf h LYS 17 Ca -0.14 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3dnf h LYS 17 Cb 1.64 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 3dnf h LYS 17 CO 0.17 0.24 0.04 -0.09 -0.57 0.00 0.00 179.45 179.24 3dnf h ARG 18 N 0.38 0.43 -0.66 3.15 2.43 -1.20 -1.27 114.38 117.64 3dnf h ARG 18 Ca 0.35 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.47 3dnf h ARG 18 Cb 0.49 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 3dnf h ARG 18 CO -0.37 0.55 0.35 0.00 -1.51 0.00 0.00 179.97 179.00 3dnf h ALA 19 N 0.86 0.89 -0.49 2.80 0.00 -0.58 0.82 119.26 123.57 3dnf h ALA 19 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dnf h ALA 19 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3dnf h ALA 19 CO 0.00 -0.00 0.25 0.28 0.00 0.00 0.00 179.25 179.78 3dnf h VAL 20 N 0.63 1.18 -0.20 0.00 2.07 -0.69 -1.23 116.25 118.01 3dnf h VAL 20 Ca 0.31 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3dnf h VAL 20 Cb 0.24 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3dnf h VAL 20 CO -0.21 0.20 0.05 0.50 0.02 0.00 0.00 177.57 178.13 3dnf h LYS 21 N 0.65 0.12 -0.84 1.57 1.63 -0.80 -0.98 116.57 117.93 3dnf h LYS 21 Ca 0.17 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3dnf h LYS 21 Cb 0.10 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 3dnf h LYS 21 CO -0.02 0.08 0.52 -0.07 -3.45 0.00 0.00 179.45 176.51 3dnf h LEU 22 N 0.13 0.99 0.07 5.20 3.38 -0.64 -0.49 115.31 123.94 3dnf h LEU 22 Ca 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dnf h LEU 22 Cb 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3dnf h LEU 22 CO -0.11 0.74 -0.03 0.00 0.09 0.00 0.00 178.44 179.13 3dnf h ALA 23 N 1.43 -0.09 -0.78 1.53 0.00 -0.79 -2.10 119.26 118.46 3dnf h ALA 23 Ca 0.30 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3dnf h ALA 23 Cb -0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3dnf h ALA 23 CO -0.06 -0.44 0.52 0.93 0.00 0.00 0.00 179.25 180.19 3dnf h GLU 24 N -0.30 1.02 0.00 0.00 5.08 -0.91 -2.54 114.58 116.93 3dnf h GLU 24 Ca -0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3dnf h GLU 24 Cb 0.27 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3dnf h GLU 24 CO 0.02 0.68 -0.31 0.93 -1.00 0.00 0.00 179.01 179.32 3dnf h GLU 25 N 1.05 0.00 0.00 2.33 5.08 -1.03 -2.97 114.58 119.05 3dnf h GLU 25 Ca 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3dnf h GLU 25 Cb -0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3dnf h GLU 25 CO -0.06 0.31 -0.01 0.66 -1.00 0.00 0.00 179.01 178.91 3dnf h SER 26 N 0.00 0.00 -0.32 1.42 4.64 -0.92 -3.06 113.55 115.30 3dnf h SER 26 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3dnf h SER 26 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3dnf h SER 26 CO 0.04 0.01 -0.45 -0.07 -0.87 0.00 0.00 176.83 175.49 3dnf h LEU 27 N 0.00 0.97 -9.45 5.97 3.38 -1.59 -3.32 115.31 111.27 3dnf h LEU 27 Ca -0.00 -0.47 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 3dnf h LEU 27 Cb 0.21 -0.27 0.04 0.00 0.09 0.00 0.00 40.66 40.72 3dnf h LEU 27 CO 0.00 1.27 1.07 1.17 0.09 0.00 0.00 178.44 182.04 3dnf n LYS 28 N -4.04 2.58 -1.62 1.13 4.81 -1.16 -2.57 118.16 117.30 3dnf n LYS 28 Ca -0.03 0.94 -0.17 0.00 -0.87 0.00 0.00 58.31 58.18 3dnf n LYS 28 Cb 0.58 -2.81 -0.06 0.00 0.02 0.00 0.00 35.03 32.75 3dnf n LYS 28 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3dnf n GLU 29 N 5.70 -1.19 -2.48 1.64 1.02 -1.26 -4.96 120.64 119.10 3dnf n GLU 29 Ca 0.19 1.04 -0.43 0.00 -0.02 0.00 0.00 57.16 57.95 3dnf n GLU 29 Cb 0.35 -5.29 -0.02 0.00 -0.02 0.00 0.00 31.44 26.45 3dnf n GLU 29 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3dnf s SER 30 N -2.73 7.01 0.17 1.62 1.04 -1.06 -4.91 113.70 114.84 3dnf s SER 30 Ca 0.00 1.67 0.17 0.00 0.48 0.00 0.00 55.95 58.27 3dnf s SER 30 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 3dnf s SER 30 CO 0.00 -0.68 1.10 1.56 0.98 0.00 0.00 173.24 176.20 3dnf h GLN 31 N 7.82 0.00 0.00 4.02 4.20 -1.91 -3.48 115.11 125.76 3dnf h GLN 31 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3dnf h GLN 31 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3dnf h GLN 31 CO 0.94 0.32 0.00 0.41 -0.67 0.00 0.00 178.83 179.83 3dnf n GLY 32 N 1.30 3.75 3.79 3.46 0.00 -1.23 -5.03 105.19 111.23 3dnf n GLY 32 Ca -0.04 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 3dnf n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dnf s LYS 33 N -0.50 4.47 -0.22 1.61 2.20 -1.26 -4.79 119.74 121.25 3dnf s LYS 33 Ca 0.00 1.31 -0.07 0.00 -0.36 0.00 0.00 55.97 56.85 3dnf s LYS 33 Cb 0.00 -2.65 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 3dnf s LYS 33 CO 0.00 0.17 0.06 0.08 -0.36 0.00 0.00 175.35 175.30 3dnf s VAL 34 N -1.73 4.45 0.04 4.02 1.01 -1.26 -0.80 120.40 126.13 3dnf s VAL 34 Ca 0.53 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.46 3dnf s VAL 34 Cb -0.17 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3dnf s VAL 34 CO 0.22 0.38 -0.24 -0.31 0.00 0.00 0.00 175.10 175.15 3dnf s TYR 35 N 1.17 2.11 0.13 5.22 2.02 0.33 -0.35 117.35 127.99 3dnf s TYR 35 Ca 0.04 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.25 3dnf s TYR 35 Cb -0.14 -1.28 -0.06 0.00 -0.40 0.00 0.00 41.96 40.08 3dnf s TYR 35 CO 0.03 0.09 0.45 0.95 -1.57 0.00 0.00 175.55 175.51 3dnf s THR 36 N -0.77 5.03 -0.91 -0.71 -4.23 -0.11 -0.13 115.64 113.81 3dnf s THR 36 Ca 0.10 0.48 -0.24 0.00 -1.18 0.00 0.00 61.69 60.84 3dnf s THR 36 Cb -0.09 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3dnf s THR 36 CO 0.02 0.19 1.58 -0.76 -0.54 0.00 0.00 174.62 175.11 3dnf s LEU 37 N -2.17 3.34 0.18 4.79 1.43 -0.11 -1.14 118.68 125.01 3dnf s LEU 37 Ca 0.37 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3dnf s LEU 37 Cb -0.13 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3dnf s LEU 37 CO 0.20 -1.95 0.00 0.61 0.23 0.00 0.00 176.35 175.44 3dnf n GLY 38 N 6.54 -1.67 3.77 -3.19 0.00 -1.24 -4.59 105.19 104.82 3dnf n GLY 38 Ca 0.29 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 3dnf n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dnf s PRO 39 N -1.74 4.21 0.42 1.61 0.04 -1.26 -4.31 135.00 133.96 3dnf s PRO 39 Ca 0.00 2.43 0.20 0.00 0.04 0.00 0.00 61.00 63.68 3dnf s PRO 39 Cb 0.00 -3.02 0.94 0.00 0.04 0.00 0.00 34.50 32.47 3dnf s PRO 39 CO 0.00 -0.41 1.86 0.97 0.04 0.00 0.00 177.00 179.46 3dnf h ILE 40 N 3.05 0.84 -3.61 0.56 2.10 -1.93 -3.44 117.51 115.08 3dnf h ILE 40 Ca -0.50 -1.13 -0.08 0.00 1.08 0.00 0.00 64.86 64.24 3dnf h ILE 40 Cb 1.23 1.68 -0.08 0.00 -1.09 0.00 0.00 36.82 38.57 3dnf h ILE 40 CO 0.66 0.28 -0.06 0.27 -1.08 0.00 0.00 178.15 178.21 3dnf s ILE 41 N -3.92 0.00 -1.07 2.19 -0.00 -1.26 -4.74 121.20 112.40 3dnf s ILE 41 Ca -0.01 -1.37 -0.17 0.00 -0.00 0.00 0.00 60.65 59.10 3dnf s ILE 41 Cb 0.12 -2.32 0.14 0.00 -0.00 0.00 0.00 42.46 40.40 3dnf s ILE 41 CO 0.66 0.00 1.30 -1.00 -0.00 0.00 0.00 174.94 175.90 3dnf s HIS 42 N -3.69 3.25 -0.29 1.37 3.76 -1.26 -4.77 115.29 113.65 3dnf s HIS 42 Ca 0.22 -1.71 -0.01 0.00 -0.15 0.00 0.00 55.06 53.41 3dnf s HIS 42 Cb -0.01 -4.33 0.19 0.00 1.11 0.00 0.00 32.58 29.53 3dnf s HIS 42 CO 0.11 -1.48 0.71 1.21 -0.85 0.00 0.00 174.74 174.44 3dnf s ASN 43 N 3.35 -1.26 0.30 1.40 3.04 -1.26 -5.03 114.94 115.48 3dnf s ASN 43 Ca 0.39 0.36 -0.01 0.00 0.04 0.00 0.00 52.86 53.63 3dnf s ASN 43 Cb -0.03 1.88 0.45 0.00 -1.54 0.00 0.00 41.25 42.01 3dnf s ASN 43 CO -0.04 -0.23 1.93 -0.65 -3.04 0.00 0.00 177.10 175.06 3dnf h PRO 44 N 7.88 0.98 -0.64 0.43 0.11 -1.99 -1.60 132.00 137.17 3dnf h PRO 44 Ca -0.09 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 3dnf h PRO 44 Cb 1.18 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3dnf h PRO 44 CO 0.11 0.71 0.24 1.96 -0.21 0.00 0.00 178.00 180.81 3dnf h GLN 45 N 0.99 0.96 -0.29 1.05 4.20 -1.98 0.13 115.11 120.18 3dnf h GLN 45 Ca 0.25 -0.19 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 3dnf h GLN 45 Cb 0.01 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3dnf h GLN 45 CO -0.04 0.82 -0.54 1.49 -0.67 0.00 0.00 178.83 179.89 3dnf h GLU 46 N 0.90 0.88 -0.94 1.46 4.57 -1.91 0.57 114.58 120.11 3dnf h GLU 46 Ca 0.21 -0.56 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 3dnf h GLU 46 Cb 0.23 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 3dnf h GLU 46 CO -0.01 1.20 0.56 0.28 -1.18 0.00 0.00 179.01 179.86 3dnf h VAL 47 N 0.67 1.26 -0.63 0.32 2.07 -1.12 -1.67 116.25 117.15 3dnf h VAL 47 Ca 0.01 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3dnf h VAL 47 Cb 1.15 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3dnf h VAL 47 CO 0.12 0.27 0.16 -1.13 0.02 0.00 0.00 177.57 177.01 3dnf h ASN 48 N 1.29 0.94 -0.50 0.57 -1.24 -0.57 -1.22 115.58 114.86 3dnf h ASN 48 Ca 0.34 -0.23 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 3dnf h ASN 48 Cb -0.06 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.72 3dnf h ASN 48 CO -0.06 0.93 0.31 -0.09 -1.29 0.00 0.00 177.43 177.22 3dnf h ARG 49 N 0.92 0.68 -0.49 6.67 2.43 -0.34 -1.86 114.38 122.38 3dnf h ARG 49 Ca 0.20 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 3dnf h ARG 49 Cb 0.35 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3dnf h ARG 49 CO 0.00 0.49 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.77 3dnf h LEU 50 N 0.67 0.91 -0.41 3.80 3.38 -1.22 -2.92 115.31 119.53 3dnf h LEU 50 Ca 0.18 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3dnf h LEU 50 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3dnf h LEU 50 CO -0.03 1.03 0.23 0.50 0.09 0.00 0.00 178.44 180.26 3dnf h LYS 51 N 0.82 0.45 -0.16 1.13 3.64 -0.89 -0.12 116.57 121.45 3dnf h LYS 51 Ca 0.13 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3dnf h LYS 51 Cb 0.64 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3dnf h LYS 51 CO 0.04 0.30 0.17 -0.91 -2.27 0.00 0.00 179.45 176.79 3dnf h ASN 52 N 0.47 0.00 1.03 4.20 2.35 -1.25 -1.01 115.58 121.36 3dnf h ASN 52 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3dnf h ASN 52 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3dnf h ASN 52 CO -0.09 0.00 -0.69 -0.07 -1.65 0.00 0.00 177.43 174.93 3dnf h LEU 53 N 0.00 0.00 0.00 1.61 3.38 -1.10 -3.48 115.31 115.72 3dnf h LEU 53 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dnf h LEU 53 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dnf h LEU 53 CO -0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3dnf n GLY 54 N 1.26 1.55 3.33 0.83 0.00 -0.38 -5.06 105.19 106.71 3dnf n GLY 54 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3dnf n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dnf s VAL 55 N -2.00 4.40 -0.17 1.61 1.01 -0.16 -4.12 120.40 120.98 3dnf s VAL 55 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3dnf s VAL 55 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3dnf s VAL 55 CO 0.00 -0.33 0.19 -0.36 0.00 0.00 0.00 175.10 174.60 3dnf s PHE 56 N 1.50 3.47 -0.21 5.22 0.08 0.53 -2.46 117.98 126.09 3dnf s PHE 56 Ca 0.02 0.47 -0.29 0.00 0.12 0.00 0.00 56.93 57.25 3dnf s PHE 56 Cb -0.21 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.04 3dnf s PHE 56 CO 0.05 0.35 1.33 -1.25 -0.10 0.00 0.00 175.22 175.60 3dnf s PRO 57 N 0.14 4.07 0.46 0.24 0.04 -1.26 -0.93 135.00 137.75 3dnf s PRO 57 Ca 0.12 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 3dnf s PRO 57 Cb -0.12 -3.84 -0.07 0.00 0.04 0.00 0.00 34.50 30.50 3dnf s PRO 57 CO 0.01 -0.92 1.19 -1.54 0.04 0.00 0.00 177.00 175.79 3dnf s SER 58 N 2.55 6.13 -0.17 6.66 1.04 -0.29 -4.84 113.70 124.78 3dnf s SER 58 Ca 0.58 2.38 0.10 0.00 0.48 0.00 0.00 55.95 59.49 3dnf s SER 58 Cb -0.21 -2.61 -0.23 0.00 0.10 0.00 0.00 66.02 63.08 3dnf s SER 58 CO 0.20 -0.95 0.16 0.00 0.98 0.00 0.00 173.24 173.63 3dnf n GLN 59 N -0.43 0.68 0.00 4.02 6.02 -1.26 -3.62 117.38 122.79 3dnf n GLN 59 Ca 0.07 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3dnf n GLN 59 Cb 0.47 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3dnf n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dnf n GLY 60 N 1.86 2.05 2.30 1.08 0.00 -1.26 -5.02 105.19 106.20 3dnf n GLY 60 Ca -0.32 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 3dnf n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dnf n GLU 61 N 0.00 3.06 0.09 1.61 4.07 -1.26 -4.84 120.64 123.36 3dnf n GLU 61 Ca 0.00 -4.03 0.12 0.00 -0.06 0.00 0.00 57.16 53.19 3dnf n GLU 61 Cb 0.00 -2.08 0.23 0.00 -0.06 0.00 0.00 31.44 29.53 3dnf n GLU 61 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 3dnf h GLU 62 N 2.38 0.00 -7.00 5.31 9.09 -2.00 -3.46 114.58 118.90 3dnf h GLU 62 Ca 0.23 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 59.13 3dnf h GLU 62 Cb 1.37 0.00 0.06 0.00 -1.65 0.00 0.00 28.75 28.52 3dnf h GLU 62 CO 0.64 0.00 0.47 -0.59 0.05 0.00 0.00 179.01 179.58 3dnf s PHE 63 N -3.16 2.93 0.39 2.06 -0.12 -1.26 -5.05 117.98 113.76 3dnf s PHE 63 Ca 0.07 1.55 0.04 0.00 -0.05 0.00 0.00 56.93 58.55 3dnf s PHE 63 Cb 0.12 -3.33 -0.06 0.00 -0.63 0.00 0.00 43.02 39.13 3dnf s PHE 63 CO 0.68 -1.36 0.04 -1.59 -0.05 0.00 0.00 175.22 172.95 3dnf s LYS 64 N -2.72 1.86 0.00 1.99 -2.85 -1.26 -5.04 119.74 111.73 3dnf s LYS 64 Ca 0.63 -2.08 -0.39 0.00 -1.00 0.00 0.00 55.97 53.14 3dnf s LYS 64 Cb -0.27 -1.17 -0.18 0.00 -2.06 0.00 0.00 37.83 34.15 3dnf s LYS 64 CO 0.33 -0.21 1.27 -1.91 0.10 0.00 0.00 175.35 174.93 3dnf n GLU 65 N -0.89 0.63 0.00 1.78 2.13 -1.26 -0.74 120.64 122.30 3dnf n GLU 65 Ca -0.06 0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.99 3dnf n GLU 65 Cb 0.67 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.57 3dnf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dnf n GLY 66 N 2.27 2.53 3.78 8.31 0.00 -0.06 -4.98 105.19 117.04 3dnf n GLY 66 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3dnf n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dnf s ASP 67 N -1.49 4.59 -0.14 1.61 1.01 0.08 -3.49 116.67 118.85 3dnf s ASP 67 Ca 0.00 1.62 -0.04 0.00 0.71 0.00 0.00 52.55 54.84 3dnf s ASP 67 Cb 0.00 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 3dnf s ASP 67 CO 0.00 -1.95 0.01 -0.89 0.21 0.00 0.00 175.17 172.55 3dnf s THR 68 N -2.99 4.34 -0.09 -1.27 2.01 0.02 -0.56 115.64 117.10 3dnf s THR 68 Ca 0.61 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.43 3dnf s THR 68 Cb -0.16 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.47 3dnf s THR 68 CO 0.56 0.53 -0.19 0.68 -0.69 0.00 0.00 174.62 175.50 3dnf s VAL 69 N -0.14 1.72 -0.24 3.82 -7.23 -0.41 -0.51 120.40 117.41 3dnf s VAL 69 Ca 0.05 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.34 3dnf s VAL 69 Cb -0.13 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 3dnf s VAL 69 CO 0.02 0.48 0.05 -0.63 -0.31 0.00 0.00 175.10 174.71 3dnf s ILE 70 N 0.51 4.19 0.09 -0.62 1.01 0.82 -0.73 121.20 126.46 3dnf s ILE 70 Ca -0.16 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 3dnf s ILE 70 Cb -0.17 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 3dnf s ILE 70 CO 0.06 0.36 1.18 -0.63 0.00 0.00 0.00 174.94 175.91 3dnf s ILE 71 N 1.51 3.99 0.97 2.92 1.01 -0.17 -0.93 121.20 130.51 3dnf s ILE 71 Ca 0.06 1.49 -0.12 0.00 0.00 0.00 0.00 60.65 62.08 3dnf s ILE 71 Cb -0.15 -3.95 0.17 0.00 0.01 0.00 0.00 42.46 38.54 3dnf s ILE 71 CO 0.03 0.15 1.08 -0.13 0.00 0.00 0.00 174.94 176.07 3dnf s ARG 72 N 0.73 0.61 0.56 2.79 0.52 -1.26 -2.06 118.95 120.84 3dnf s ARG 72 Ca 0.57 0.86 0.24 0.00 -0.52 0.00 0.00 55.73 56.87 3dnf s ARG 72 Cb -0.29 -1.73 1.54 0.00 0.52 0.00 0.00 34.95 34.98 3dnf s ARG 72 CO 0.31 -2.69 2.16 0.66 0.02 0.00 0.00 175.30 175.75 3dnf h SER 73 N -1.88 0.00 0.54 0.23 4.64 -1.85 -0.70 113.55 114.53 3dnf h SER 73 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3dnf h SER 73 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3dnf h SER 73 CO 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 3dnf n HIS 74 N -4.15 0.00 -1.74 4.77 1.44 -1.26 -0.56 115.22 113.71 3dnf n HIS 74 Ca -0.01 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.79 3dnf n HIS 74 Cb 0.19 -0.32 -0.02 0.00 0.12 0.00 0.00 29.99 29.95 3dnf n HIS 74 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dnf n GLY 75 N 0.88 -1.91 3.31 -1.39 0.00 -0.27 -4.04 105.19 101.77 3dnf n GLY 75 Ca 0.11 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 3dnf n GLY 75 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dnf s ILE 76 N -1.29 0.09 0.52 -0.61 -4.36 -1.26 -4.71 121.20 109.57 3dnf s ILE 76 Ca 0.00 -0.99 -0.22 0.00 -0.26 0.00 0.00 60.65 59.18 3dnf s ILE 76 Cb 0.00 -1.43 -0.07 0.00 1.25 0.00 0.00 42.46 42.22 3dnf s ILE 76 CO 0.00 -0.40 1.21 -2.65 0.24 0.00 0.00 174.94 173.34 3dnf n PRO 77 N -0.18 1.53 0.08 0.37 -0.02 -1.26 -4.82 135.00 130.71 3dnf n PRO 77 Ca -0.13 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 3dnf n PRO 77 Cb 0.63 -2.38 0.41 0.00 -0.02 0.00 0.00 33.50 32.14 3dnf n PRO 77 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3dnf h PRO 78 N 1.38 0.34 0.00 0.52 0.13 -1.84 -1.27 132.00 131.26 3dnf h PRO 78 Ca -0.49 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.53 3dnf h PRO 78 Cb 1.32 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3dnf h PRO 78 CO 0.56 0.36 -0.25 1.05 -0.23 0.00 0.00 178.00 179.49 3dnf h GLU 79 N 0.33 0.00 -0.03 0.86 9.09 -1.91 -0.63 114.58 122.30 3dnf h GLU 79 Ca 0.08 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.30 3dnf h GLU 79 Cb 0.21 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.33 3dnf h GLU 79 CO 0.00 0.25 -0.72 -0.22 0.05 0.00 0.00 179.01 178.38 3dnf h LYS 80 N 0.00 0.54 -0.55 1.06 3.64 -1.61 -1.09 116.57 118.57 3dnf h LYS 80 Ca -0.00 -0.54 0.03 0.00 -1.27 0.00 0.00 60.65 58.86 3dnf h LYS 80 Cb 0.60 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3dnf h LYS 80 CO 0.03 1.17 0.33 1.49 -2.27 0.00 0.00 179.45 180.20 3dnf h GLU 81 N 0.12 0.63 -0.76 1.90 4.81 -1.23 -0.52 114.58 119.54 3dnf h GLU 81 Ca -0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3dnf h GLU 81 Cb 1.39 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3dnf h GLU 81 CO 0.14 0.42 0.42 1.49 -0.73 0.00 0.00 179.01 180.74 3dnf h GLU 82 N 0.65 1.06 -0.89 1.92 4.57 -1.10 -2.03 114.58 118.75 3dnf h GLU 82 Ca 0.22 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 3dnf h GLU 82 Cb 0.03 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.36 3dnf h GLU 82 CO -0.10 0.78 0.59 0.00 -1.18 0.00 0.00 179.01 179.10 3dnf h ALA 83 N 1.21 1.44 -0.46 2.92 0.00 -0.09 -0.47 119.26 123.82 3dnf h ALA 83 Ca 0.27 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3dnf h ALA 83 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dnf h ALA 83 CO -0.04 0.46 -0.03 -0.07 0.00 0.00 0.00 179.25 179.57 3dnf h LEU 84 N 1.11 0.82 -0.89 0.00 3.38 -0.62 -2.43 115.31 116.69 3dnf h LEU 84 Ca 0.36 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3dnf h LEU 84 Cb 0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3dnf h LEU 84 CO -0.11 0.95 0.51 0.03 0.09 0.00 0.00 178.44 179.91 3dnf h ARG 85 N 0.67 1.22 0.00 1.13 3.08 -0.94 -2.44 114.38 117.10 3dnf h ARG 85 Ca 0.13 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3dnf h ARG 85 Cb 0.55 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3dnf h ARG 85 CO 0.03 0.87 -0.09 0.87 -1.07 0.00 0.00 179.97 180.58 3dnf h LYS 86 N 1.23 0.00 0.00 0.04 1.57 -0.85 -0.12 116.57 118.44 3dnf h LYS 86 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3dnf h LYS 86 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3dnf h LYS 86 CO -0.06 0.09 0.00 1.17 -0.57 0.00 0.00 179.45 180.09 3dnf n LYS 87 N -3.46 0.39 -0.80 3.15 4.81 -0.92 -4.90 118.16 116.43 3dnf n LYS 87 Ca -0.01 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3dnf n LYS 87 Cb 0.24 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3dnf n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dnf n GLY 88 N 1.11 0.67 3.83 3.14 0.00 -0.06 -4.11 105.19 109.78 3dnf n GLY 88 Ca 0.13 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 3dnf n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dnf s LEU 89 N 0.00 4.32 -0.45 0.99 1.43 -1.19 -0.89 118.68 122.90 3dnf s LEU 89 Ca 0.00 1.20 -0.27 0.00 -1.03 0.00 0.00 54.13 54.03 3dnf s LEU 89 Cb 0.00 -3.43 0.03 0.00 0.03 0.00 0.00 46.19 42.82 3dnf s LEU 89 CO 0.00 0.06 1.04 -0.75 0.23 0.00 0.00 176.35 176.93 3dnf s LYS 90 N -2.03 3.70 -0.22 1.70 2.20 0.27 -4.58 119.74 120.78 3dnf s LYS 90 Ca 0.41 0.47 -0.14 0.00 -0.36 0.00 0.00 55.97 56.34 3dnf s LYS 90 Cb -0.15 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 3dnf s LYS 90 CO 0.20 -1.24 0.34 0.08 -0.36 0.00 0.00 175.35 174.37 3dnf s VAL 91 N 4.03 5.23 -0.27 4.02 1.01 -1.26 -1.28 120.40 131.89 3dnf s VAL 91 Ca 0.43 0.55 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 3dnf s VAL 91 Cb -0.09 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3dnf s VAL 91 CO 0.27 0.25 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 3dnf s ILE 92 N 1.40 4.10 -0.67 2.22 1.01 0.09 -4.97 121.20 124.38 3dnf s ILE 92 Ca 0.15 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.20 3dnf s ILE 92 Cb -0.15 -2.99 0.11 0.00 0.01 0.00 0.00 42.46 39.44 3dnf s ILE 92 CO 0.08 0.24 0.83 -0.62 0.00 0.00 0.00 174.94 175.47 3dnf s ASP 93 N 1.56 6.29 -0.13 3.58 2.15 -1.26 -0.99 116.67 127.86 3dnf s ASP 93 Ca 0.05 -1.51 0.10 0.00 0.43 0.00 0.00 52.55 51.61 3dnf s ASP 93 Cb -0.16 -2.34 0.51 0.00 -0.30 0.00 0.00 42.92 40.64 3dnf s ASP 93 CO 0.03 -1.15 1.31 0.00 -0.17 0.00 0.00 175.17 175.19 3dnf n ALA 94 N 6.52 3.27 -1.64 3.66 0.00 -0.88 -4.94 120.51 126.49 3dnf n ALA 94 Ca -0.02 -1.17 -0.47 0.00 0.00 0.00 0.00 53.44 51.78 3dnf n ALA 94 Cb 0.44 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 3dnf n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dnf n THR 95 N 0.46 0.42 -1.71 0.00 -1.04 -1.21 -3.49 114.28 107.71 3dnf n THR 95 Ca 0.18 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 3dnf n THR 95 Cb 0.80 -1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 67.98 3dnf n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dnf h PRO 97 N 5.37 0.22 -0.28 0.00 0.11 -1.90 0.99 132.00 136.51 3dnf h PRO 97 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3dnf h PRO 97 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3dnf h PRO 97 CO 0.84 0.15 -0.12 1.88 -0.21 0.00 0.00 178.00 180.54 3dnf h TYR 98 N 0.23 0.51 -0.35 0.65 0.05 -1.96 -0.84 116.97 115.26 3dnf h TYR 98 Ca 0.45 -0.07 -0.10 0.00 0.05 0.00 0.00 58.73 59.05 3dnf h TYR 98 Cb 1.38 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 3dnf h TYR 98 CO -0.00 0.58 -0.16 0.28 -1.05 0.00 0.00 178.16 177.81 3dnf h VAL 99 N 0.44 1.29 -0.63 -2.88 2.07 -1.18 -2.81 116.25 112.54 3dnf h VAL 99 Ca 0.08 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.37 3dnf h VAL 99 Cb 0.47 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3dnf h VAL 99 CO 0.03 0.42 0.42 0.11 0.02 0.00 0.00 177.57 178.56 3dnf h LYS 100 N 0.51 0.70 -0.02 1.57 1.79 -0.96 -0.82 116.57 119.34 3dnf h LYS 100 Ca 0.08 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 3dnf h LYS 100 Cb 0.70 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 3dnf h LYS 100 CO 0.05 0.46 -0.19 0.00 -1.08 0.00 0.00 179.45 178.70 3dnf h ALA 101 N 1.64 1.66 -0.02 3.86 0.00 -0.90 -0.91 119.26 124.58 3dnf h ALA 101 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dnf h ALA 101 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dnf h ALA 101 CO -0.07 0.25 -0.06 0.28 0.00 0.00 0.00 179.25 179.65 3dnf h VAL 102 N 0.03 1.47 -0.61 0.00 2.07 -0.99 -1.17 116.25 117.05 3dnf h VAL 102 Ca 0.00 -1.48 0.13 0.00 0.82 0.00 0.00 66.70 66.17 3dnf h VAL 102 Cb 0.35 2.40 -0.11 0.00 -1.52 0.00 0.00 31.29 32.41 3dnf h VAL 102 CO 0.02 0.40 -0.08 0.45 0.02 0.00 0.00 177.57 178.38 3dnf h HIS 103 N -0.49 -0.19 -0.69 1.57 -0.00 -0.96 -0.46 115.15 113.93 3dnf h HIS 103 Ca -0.00 0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.34 3dnf h HIS 103 Cb 0.68 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 28.24 3dnf h HIS 103 CO 0.13 -0.22 0.14 0.93 -0.00 0.00 0.00 177.93 178.91 3dnf h GLU 104 N 0.05 1.12 -0.26 2.45 4.39 -1.10 -3.03 114.58 118.20 3dnf h GLU 104 Ca 0.31 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3dnf h GLU 104 Cb 0.48 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3dnf h GLU 104 CO -0.58 1.01 -0.26 0.00 -1.16 0.00 0.00 179.01 178.02 3dnf h ALA 105 N 1.06 1.08 0.00 3.43 0.00 -0.40 0.12 119.26 124.56 3dnf h ALA 105 Ca 0.21 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3dnf h ALA 105 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3dnf h ALA 105 CO 0.01 0.57 -0.78 -0.39 0.00 0.00 0.00 179.25 178.65 3dnf h VAL 106 N 0.44 1.47 -0.17 0.00 -1.51 -1.04 -1.81 116.25 113.63 3dnf h VAL 106 Ca 0.06 -2.77 -0.18 0.00 -1.23 0.00 0.00 66.70 62.58 3dnf h VAL 106 Cb 0.68 2.53 0.01 0.00 -2.13 0.00 0.00 31.29 32.38 3dnf h VAL 106 CO 0.05 0.77 -0.61 0.00 -1.23 0.00 0.00 177.57 176.55 3dnf h GLN 108 N 0.41 -0.24 -0.97 0.00 4.15 -0.60 -0.85 115.11 117.02 3dnf h GLN 108 Ca -0.03 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.47 3dnf h GLN 108 Cb 1.24 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.92 3dnf h GLN 108 CO 0.13 -0.16 0.63 -0.07 -1.93 0.00 0.00 178.83 177.43 3dnf h LEU 109 N -0.24 0.99 -0.41 -2.39 3.38 -1.37 -1.66 115.31 113.62 3dnf h LEU 109 Ca 0.07 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3dnf h LEU 109 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3dnf h LEU 109 CO -0.19 0.63 0.10 0.74 0.09 0.00 0.00 178.44 179.81 3dnf h THR 110 N 1.13 1.23 -0.03 0.22 2.02 -1.02 -0.92 112.91 115.53 3dnf h THR 110 Ca 0.42 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 3dnf h THR 110 Cb 0.19 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3dnf h THR 110 CO -0.17 0.27 -0.13 0.03 0.37 0.00 0.00 175.52 175.90 3dnf h ARG 111 N 0.51 0.04 -0.01 6.66 3.08 -0.40 -1.29 114.38 122.97 3dnf h ARG 111 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3dnf h ARG 111 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3dnf h ARG 111 CO 0.00 0.18 -0.02 0.39 -1.07 0.00 0.00 179.97 179.45 3dnf n GLU 112 N -4.36 1.33 -1.22 0.04 1.02 -0.70 -4.94 120.64 111.82 3dnf n GLU 112 Ca -0.02 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 3dnf n GLU 112 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3dnf n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dnf n GLY 113 N 1.14 0.76 3.86 0.62 0.00 -0.49 -5.06 105.19 106.03 3dnf n GLY 113 Ca 0.20 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 3dnf n GLY 113 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dnf s TYR 114 N -2.00 3.63 0.07 1.61 2.02 -0.41 -4.88 117.35 117.39 3dnf s TYR 114 Ca 0.00 0.77 -0.30 0.00 -0.37 0.00 0.00 57.07 57.17 3dnf s TYR 114 Cb 0.00 -2.13 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 3dnf s TYR 114 CO 0.00 0.62 1.03 0.12 -1.57 0.00 0.00 175.55 175.75 3dnf s PHE 115 N -1.21 3.66 -0.18 2.71 5.36 -0.59 -4.43 117.98 123.32 3dnf s PHE 115 Ca 0.26 1.65 -0.09 0.00 -0.96 0.00 0.00 56.93 57.79 3dnf s PHE 115 Cb -0.14 -3.17 -0.05 0.00 -0.34 0.00 0.00 43.02 39.32 3dnf s PHE 115 CO 0.14 -0.23 0.13 0.08 -1.46 0.00 0.00 175.22 173.88 3dnf s VAL 116 N 0.51 5.42 -0.17 3.12 1.01 -0.10 -0.62 120.40 129.57 3dnf s VAL 116 Ca 0.51 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 3dnf s VAL 116 Cb -0.24 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3dnf s VAL 116 CO 0.30 0.49 -0.08 -0.69 0.00 0.00 0.00 175.10 175.12 3dnf s VAL 117 N 0.01 3.36 -0.29 2.92 1.01 0.11 -0.88 120.40 126.65 3dnf s VAL 117 Ca 0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3dnf s VAL 117 Cb -0.11 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.82 3dnf s VAL 117 CO -0.00 0.48 0.02 -0.22 0.00 0.00 0.00 175.10 175.38 3dnf s LEU 118 N 0.77 3.70 -0.29 3.92 2.96 -0.14 -0.95 118.68 128.65 3dnf s LEU 118 Ca -0.03 -0.94 -0.23 0.00 -0.22 0.00 0.00 54.13 52.71 3dnf s LEU 118 Cb -0.15 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 3dnf s LEU 118 CO 0.02 -0.20 0.79 -0.69 -1.32 0.00 0.00 176.35 174.94 3dnf s VAL 119 N 1.38 4.81 -2.65 1.68 1.01 0.05 -0.45 120.40 126.23 3dnf s VAL 119 Ca -0.00 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.24 3dnf s VAL 119 Cb -0.18 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3dnf s VAL 119 CO -0.01 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.51 3dnf n GLY 120 N 4.10 -1.58 3.57 4.51 0.00 -0.75 -0.74 105.19 114.31 3dnf n GLY 120 Ca 0.04 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 3dnf n GLY 120 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dnf s GLU 121 N -1.39 3.77 0.30 1.61 2.12 -1.26 -3.48 118.70 120.38 3dnf s GLU 121 Ca 0.00 -0.12 0.06 0.00 0.36 0.00 0.00 54.97 55.26 3dnf s GLU 121 Cb 0.00 -3.74 0.78 0.00 0.26 0.00 0.00 34.13 31.42 3dnf s GLU 121 CO 0.00 -0.47 1.71 0.87 -0.54 0.00 0.00 175.26 176.83 3dnf h LYS 122 N 8.33 0.45 -0.01 4.30 1.57 -1.94 -1.35 116.57 127.92 3dnf h LYS 122 Ca -0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3dnf h LYS 122 Cb 1.14 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3dnf h LYS 122 CO 0.70 0.30 -0.00 0.09 -0.57 0.00 0.00 179.45 179.97 3dnf n ASN 123 N -4.99 1.16 -4.73 0.86 5.03 -1.26 -4.56 115.26 106.77 3dnf n ASN 123 Ca 0.24 -1.38 -0.41 0.00 0.87 0.00 0.00 54.58 53.89 3dnf n ASN 123 Cb 0.68 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.40 3dnf n ASN 123 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 3dnf s HIS 124 N -2.01 3.62 0.41 3.10 2.46 -0.51 -4.90 115.29 117.47 3dnf s HIS 124 Ca 0.40 1.62 0.17 0.00 0.47 0.00 0.00 55.06 57.71 3dnf s HIS 124 Cb 0.21 -3.24 1.06 0.00 -0.13 0.00 0.00 32.58 30.48 3dnf s HIS 124 CO 0.34 -0.50 1.86 -1.35 -2.47 0.00 0.00 174.74 172.62 3dnf h PRO 125 N 5.34 0.42 -0.44 2.88 0.11 -1.91 -0.98 132.00 137.42 3dnf h PRO 125 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3dnf h PRO 125 Cb 1.21 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3dnf h PRO 125 CO 0.73 0.28 0.21 1.49 -0.21 0.00 0.00 178.00 180.50 3dnf h GLU 126 N 0.43 0.64 -0.41 1.05 4.81 -1.85 0.42 114.58 119.67 3dnf h GLU 126 Ca 0.47 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 3dnf h GLU 126 Cb 1.12 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3dnf h GLU 126 CO -0.18 0.55 0.02 0.28 -0.73 0.00 0.00 179.01 178.95 3dnf h VAL 127 N 0.58 1.26 -0.78 0.32 2.07 -1.53 -0.38 116.25 117.78 3dnf h VAL 127 Ca 0.15 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3dnf h VAL 127 Cb 0.12 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3dnf h VAL 127 CO -0.02 0.33 0.50 0.40 0.02 0.00 0.00 177.57 178.81 3dnf h ILE 128 N 0.55 1.14 -0.45 4.57 2.04 -1.08 -0.21 117.51 124.07 3dnf h ILE 128 Ca 0.12 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.68 3dnf h ILE 128 Cb 0.45 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3dnf h ILE 128 CO 0.02 0.18 0.22 1.23 0.00 0.00 0.00 178.15 179.80 3dnf h GLY 129 N 1.00 0.62 1.24 5.37 0.00 -0.51 -2.55 103.07 108.25 3dnf h GLY 129 Ca 0.30 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 3dnf h GLY 129 CO -0.10 0.10 -0.26 -0.84 0.00 0.00 0.00 176.54 175.44 3dnf h THR 130 N 0.44 1.27 -0.73 4.70 2.02 -0.47 -1.13 112.91 119.02 3dnf h THR 130 Ca 0.20 -1.41 0.09 0.00 0.77 0.00 0.00 66.41 66.06 3dnf h THR 130 Cb 0.11 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3dnf h THR 130 CO -0.14 0.47 0.48 -0.07 0.37 0.00 0.00 175.52 176.64 3dnf h LEU 131 N 0.74 0.59 -0.79 2.58 3.38 -0.98 0.26 115.31 121.09 3dnf h LEU 131 Ca 0.09 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3dnf h LEU 131 Cb 0.81 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3dnf h LEU 131 CO 0.07 0.36 0.11 1.23 0.09 0.00 0.00 178.44 180.29 3dnf h GLY 132 N 0.66 1.10 0.95 0.83 0.00 -0.79 0.00 103.07 105.82 3dnf h GLY 132 Ca 0.33 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3dnf h GLY 132 CO -0.12 0.66 -0.07 -0.97 0.00 0.00 0.00 176.54 176.04 3dnf h TYR 133 N 0.96 0.79 -0.35 5.60 -1.99 -0.68 -1.39 116.97 119.91 3dnf h TYR 133 Ca 0.19 -0.16 0.02 0.00 2.00 0.00 0.00 58.73 60.78 3dnf h TYR 133 Cb 0.41 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 3dnf h TYR 133 CO 0.03 0.84 0.18 1.25 -0.00 0.00 0.00 178.16 180.46 3dnf h LEU 134 N 0.51 0.27 -0.50 3.88 5.85 -0.75 -2.04 115.31 122.52 3dnf h LEU 134 Ca 0.10 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3dnf h LEU 134 Cb 0.58 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3dnf h LEU 134 CO 0.03 0.20 0.28 -0.09 -0.34 0.00 0.00 178.44 178.52 3dnf h ARG 135 N 0.37 0.54 -0.16 1.25 2.43 -0.92 0.11 114.38 117.99 3dnf h ARG 135 Ca 0.14 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3dnf h ARG 135 Cb 0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3dnf h ARG 135 CO -0.10 0.35 -0.12 0.00 -1.51 0.00 0.00 179.97 178.60 3dnf h ALA 136 N 1.24 1.50 -0.18 2.80 0.00 -0.83 -0.78 119.26 123.00 3dnf h ALA 136 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dnf h ALA 136 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dnf h ALA 136 CO -0.12 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3dnf n ASN 138 N 0.05 -5.93 -4.99 0.00 3.02 -0.30 -4.93 115.26 102.18 3dnf n ASN 138 Ca 0.09 -0.56 -0.19 0.00 -0.03 0.00 0.00 54.58 53.89 3dnf n ASN 138 Cb 0.18 -4.70 0.01 0.00 -0.61 0.00 0.00 39.78 34.67 3dnf n ASN 138 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3dnf s GLY 139 N -3.21 1.79 0.03 7.41 0.00 0.37 -5.03 107.32 108.68 3dnf s GLY 139 Ca 0.57 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3dnf s GLY 139 CO 0.70 -1.27 -0.07 -1.59 0.00 0.00 0.00 173.10 170.86 3dnf s LYS 140 N -4.44 0.51 0.00 2.90 -2.85 -1.26 -4.49 119.74 110.11 3dnf s LYS 140 Ca 0.53 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.91 3dnf s LYS 140 Cb -0.10 -0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.31 3dnf s LYS 140 CO 0.35 0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.28 3dnf n GLY 141 N 1.94 -1.68 3.14 0.59 0.00 -1.26 -0.92 105.19 107.00 3dnf n GLY 141 Ca -0.19 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 3dnf n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dnf s ILE 142 N -2.23 0.17 -0.12 -0.61 -4.36 -0.06 -4.94 121.20 109.04 3dnf s ILE 142 Ca 0.00 -1.90 -0.15 0.00 -0.26 0.00 0.00 60.65 58.34 3dnf s ILE 142 Cb 0.00 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 3dnf s ILE 142 CO 0.00 -0.58 0.37 -0.69 0.24 0.00 0.00 174.94 174.28 3dnf s VAL 143 N -3.99 5.24 -0.35 8.37 1.01 -1.26 -0.96 120.40 128.45 3dnf s VAL 143 Ca 0.20 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 3dnf s VAL 143 Cb 0.07 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.81 3dnf s VAL 143 CO -0.01 0.40 0.11 -0.69 0.00 0.00 0.00 175.10 174.91 3dnf s VAL 144 N 0.29 3.59 -0.19 2.92 1.01 0.41 -4.92 120.40 123.51 3dnf s VAL 144 Ca 0.21 -1.33 0.11 0.00 0.00 0.00 0.00 61.98 60.97 3dnf s VAL 144 Cb -0.14 -3.11 -0.19 0.00 0.00 0.00 0.00 36.38 32.94 3dnf s VAL 144 CO 0.07 -0.26 -0.02 1.21 0.00 0.00 0.00 175.10 176.10 3dnf n GLU 145 N 4.75 0.97 -4.32 2.72 2.13 -1.23 -1.80 120.64 123.87 3dnf n GLU 145 Ca -0.11 0.03 -0.17 0.00 0.66 0.00 0.00 57.16 57.58 3dnf n GLU 145 Cb 0.44 -1.45 -0.10 0.00 0.27 0.00 0.00 31.44 30.60 3dnf n GLU 145 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3dnf s THR 146 N -2.43 1.11 0.53 6.31 -4.23 -1.26 -4.91 115.64 110.76 3dnf s THR 146 Ca -0.15 -2.05 0.20 0.00 -1.18 0.00 0.00 61.69 58.51 3dnf s THR 146 Cb 0.06 -2.24 0.31 0.00 1.34 0.00 0.00 72.50 71.98 3dnf s THR 146 CO 0.65 -0.42 2.11 0.25 -0.54 0.00 0.00 174.62 176.68 3dnf h LEU 147 N 2.53 0.00 -2.18 4.79 5.85 -1.99 -0.53 115.31 123.78 3dnf h LEU 147 Ca -0.38 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.39 3dnf h LEU 147 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3dnf h LEU 147 CO 0.64 0.00 0.15 -0.08 -0.34 0.00 0.00 178.44 178.81 3dnf h GLU 148 N 0.00 0.00 0.00 1.25 4.81 -2.02 -2.27 114.58 116.36 3dnf h GLU 148 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3dnf h GLU 148 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3dnf h GLU 148 CO -0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 3dnf n ASP 149 N -4.08 0.38 0.16 1.04 8.00 -0.21 -3.71 116.55 118.13 3dnf n ASP 149 Ca 0.01 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.23 3dnf n ASP 149 Cb 0.27 -0.67 0.44 0.00 -0.02 0.00 0.00 41.12 41.14 3dnf n ASP 149 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3dnf h ILE 150 N 0.00 0.00 -0.66 0.53 3.07 -1.58 -3.37 117.51 115.50 3dnf h ILE 150 Ca 0.00 -0.49 0.14 0.00 1.55 0.00 0.00 64.86 66.06 3dnf h ILE 150 Cb 0.33 1.40 -0.12 0.00 -0.27 0.00 0.00 36.82 38.17 3dnf h ILE 150 CO 0.00 0.00 -0.05 1.23 -1.05 0.00 0.00 178.15 178.28 3dnf h GLY 151 N 3.31 0.64 0.82 0.16 0.00 -1.81 -0.04 103.07 106.16 3dnf h GLY 151 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.51 3dnf h GLY 151 CO 0.00 -0.24 0.63 -2.09 0.00 0.00 0.00 176.54 174.84 3dnf h GLU 152 N 0.07 1.15 0.00 4.80 4.57 -1.90 -2.04 114.58 121.23 3dnf h GLU 152 Ca 0.34 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.39 3dnf h GLU 152 Cb 0.56 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3dnf h GLU 152 CO -0.61 0.76 -0.31 0.00 -1.18 0.00 0.00 179.01 177.68 3dnf h ALA 153 N 1.41 1.30 0.00 2.92 0.00 -1.27 -2.82 119.26 120.80 3dnf h ALA 153 Ca 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dnf h ALA 153 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dnf h ALA 153 CO -0.14 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.77 3dnf n LEU 154 N -3.89 0.30 0.01 0.00 4.77 -0.77 -2.01 117.00 115.40 3dnf n LEU 154 Ca -0.02 0.57 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 3dnf n LEU 154 Cb 0.38 -0.52 0.49 0.00 -2.33 0.00 0.00 43.42 41.43 3dnf n LEU 154 CO 0.36 -0.36 0.86 0.29 -1.33 0.00 0.00 177.39 177.21 3dnf n LYS 155 N -1.83 0.01 -4.24 3.23 5.02 -1.06 -4.84 118.16 114.45 3dnf n LYS 155 Ca 0.03 0.11 -0.33 0.00 -2.02 0.00 0.00 58.31 56.10 3dnf n LYS 155 Cb 0.21 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.62 3dnf n LYS 155 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dnf s HIS 156 N -3.01 3.16 -0.11 2.13 3.76 -0.85 -5.03 115.29 115.34 3dnf s HIS 156 Ca 0.11 0.15 0.15 0.00 -0.15 0.00 0.00 55.06 55.32 3dnf s HIS 156 Cb 0.15 -1.72 0.12 0.00 1.11 0.00 0.00 32.58 32.24 3dnf s HIS 156 CO 0.42 0.49 1.47 0.93 -0.85 0.00 0.00 174.74 177.20 3dnf h GLU 157 N 4.45 0.00 -3.94 1.40 5.08 -1.88 -3.42 114.58 116.27 3dnf h GLU 157 Ca -0.49 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.29 3dnf h GLU 157 Cb 1.18 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.04 3dnf h GLU 157 CO 0.58 0.51 -0.77 1.03 -1.00 0.00 0.00 179.01 179.37 3dnf s ARG 158 N -3.01 1.10 -0.13 2.33 0.52 -1.26 -1.30 118.95 117.19 3dnf s ARG 158 Ca 0.03 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3dnf s ARG 158 Cb 0.08 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 3dnf s ARG 158 CO 0.74 -0.73 -0.10 0.08 0.02 0.00 0.00 175.30 175.31 3dnf s VAL 159 N 1.56 3.37 -0.16 3.52 1.01 -0.56 -1.54 120.40 127.60 3dnf s VAL 159 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3dnf s VAL 159 Cb -0.18 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3dnf s VAL 159 CO -0.12 0.52 -0.01 -0.83 0.00 0.00 0.00 175.10 174.66 3dnf s GLY 160 N 0.27 1.76 -0.14 4.51 0.00 0.20 -0.78 107.32 113.16 3dnf s GLY 160 Ca -0.07 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.86 3dnf s GLY 160 CO 0.04 -0.04 -0.18 -0.42 0.00 0.00 0.00 173.10 172.51 3dnf s ILE 161 N 0.37 2.48 0.38 0.90 1.01 0.11 0.08 121.20 126.54 3dnf s ILE 161 Ca -0.02 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.82 3dnf s ILE 161 Cb -0.14 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3dnf s ILE 161 CO 0.02 0.53 0.08 0.68 0.00 0.00 0.00 174.94 176.26 3dnf s VAL 162 N 0.67 0.95 -0.02 2.92 -7.23 -0.13 -1.41 120.40 116.15 3dnf s VAL 162 Ca -0.09 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 3dnf s VAL 162 Cb -0.16 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 3dnf s VAL 162 CO 0.02 0.00 -0.14 0.00 -0.31 0.00 0.00 175.10 174.67 3dnf s ALA 163 N -3.22 1.18 0.19 1.32 0.00 -1.26 -0.77 121.76 119.21 3dnf s ALA 163 Ca 0.28 -0.58 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 3dnf s ALA 163 Cb 0.05 -0.33 -0.16 0.00 0.00 0.00 0.00 23.12 22.68 3dnf s ALA 163 CO 0.14 0.27 0.87 0.94 0.00 0.00 0.00 175.76 177.98 3dnf n GLN 164 N 2.86 0.63 0.13 0.00 7.27 0.08 -4.51 117.38 123.85 3dnf n GLN 164 Ca -0.15 0.22 0.17 0.00 0.07 0.00 0.00 57.00 57.31 3dnf n GLN 164 Cb 0.55 -1.50 0.74 0.00 2.41 0.00 0.00 30.24 32.44 3dnf n GLN 164 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 3dnf h THR 165 N 1.91 0.65 -0.48 1.69 1.35 -1.91 -0.85 112.91 115.28 3dnf h THR 165 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3dnf h THR 165 Cb 1.39 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3dnf h THR 165 CO 0.62 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.24 3dnf n THR 166 N -4.13 0.91 -1.65 6.82 -2.24 -1.26 -0.88 114.28 111.85 3dnf n THR 166 Ca 0.04 -0.95 -0.47 0.00 -2.27 0.00 0.00 64.05 60.40 3dnf n THR 166 Cb 0.40 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 3dnf n THR 166 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3dnf n GLN 167 N 1.02 1.87 -1.73 -0.78 -0.06 -0.32 -4.93 117.38 112.45 3dnf n GLN 167 Ca 0.17 0.67 -0.42 0.00 -2.00 0.00 0.00 57.00 55.42 3dnf n GLN 167 Cb 0.51 -2.36 -0.03 0.00 -4.06 0.00 0.00 30.24 24.30 3dnf n GLN 167 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 3dnf s ASN 168 N 0.54 6.39 0.31 1.69 3.84 -1.26 -4.93 114.94 121.52 3dnf s ASN 168 Ca 0.75 2.84 -0.01 0.00 0.21 0.00 0.00 52.86 56.65 3dnf s ASN 168 Cb -0.72 -2.59 0.49 0.00 -0.55 0.00 0.00 41.25 37.87 3dnf s ASN 168 CO 0.45 -0.98 1.97 -0.33 -2.79 0.00 0.00 177.10 175.42 3dnf h GLU 169 N 7.23 1.01 -0.13 0.43 5.08 -1.99 -2.36 114.58 123.85 3dnf h GLU 169 Ca -0.44 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3dnf h GLU 169 Cb 1.20 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3dnf h GLU 169 CO 0.95 0.68 0.07 1.49 -1.00 0.00 0.00 179.01 181.20 3dnf h GLU 170 N 1.04 0.19 -0.28 2.33 4.81 -2.00 -0.25 114.58 120.43 3dnf h GLU 170 Ca 0.28 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 3dnf h GLU 170 Cb -0.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3dnf h GLU 170 CO -0.06 0.24 -0.39 0.35 -0.73 0.00 0.00 179.01 178.41 3dnf h PHE 171 N 0.09 0.78 -0.22 0.92 3.57 -1.96 -2.29 116.94 117.83 3dnf h PHE 171 Ca 0.05 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 3dnf h PHE 171 Cb 0.11 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3dnf h PHE 171 CO -0.03 0.95 0.14 0.35 -2.23 0.00 0.00 178.31 177.48 3dnf h PHE 172 N 0.54 0.29 -0.84 0.41 3.57 -1.09 -0.55 116.94 119.27 3dnf h PHE 172 Ca 0.05 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.61 3dnf h PHE 172 Cb 0.92 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3dnf h PHE 172 CO 0.04 0.22 0.52 -0.22 -2.23 0.00 0.00 178.31 176.64 3dnf h LYS 173 N 0.28 0.91 -0.11 1.11 3.64 -0.98 -1.15 116.57 120.26 3dnf h LYS 173 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3dnf h LYS 173 Cb 0.01 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3dnf h LYS 173 CO -0.02 0.60 0.02 1.49 -2.27 0.00 0.00 179.45 179.28 3dnf h GLU 174 N 0.94 0.18 -0.12 1.90 4.57 -0.78 -1.50 114.58 119.77 3dnf h GLU 174 Ca 0.37 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.52 3dnf h GLU 174 Cb 0.19 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3dnf h GLU 174 CO -0.18 0.38 0.02 0.28 -1.18 0.00 0.00 179.01 178.33 3dnf h VAL 175 N -0.05 0.95 -0.41 0.32 2.07 -0.87 -0.16 116.25 118.10 3dnf h VAL 175 Ca 0.03 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3dnf h VAL 175 Cb 0.28 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3dnf h VAL 175 CO 0.00 0.01 0.24 0.58 0.02 0.00 0.00 177.57 178.43 3dnf h VAL 176 N 0.07 1.04 -0.24 2.57 2.07 -1.21 -0.31 116.25 120.24 3dnf h VAL 176 Ca 0.05 -0.17 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 3dnf h VAL 176 Cb 0.04 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3dnf h VAL 176 CO -0.07 0.09 -0.49 1.23 0.02 0.00 0.00 177.57 178.36 3dnf h GLY 177 N 0.49 0.70 0.68 2.17 0.00 -1.14 -2.28 103.07 103.69 3dnf h GLY 177 Ca 0.17 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 3dnf h GLY 177 CO -0.08 0.69 -0.07 -2.09 0.00 0.00 0.00 176.54 175.00 3dnf h GLU 178 N 0.51 0.22 -0.61 4.80 4.57 -0.70 -2.87 114.58 120.51 3dnf h GLU 178 Ca 0.03 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3dnf h GLU 178 Cb 1.03 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 3dnf h GLU 178 CO 0.10 0.60 0.38 0.82 -1.18 0.00 0.00 179.01 179.73 3dnf h ILE 179 N -0.17 1.10 -0.87 2.32 2.04 -1.08 -1.98 117.51 118.87 3dnf h ILE 179 Ca 0.02 -0.26 0.21 0.00 1.00 0.00 0.00 64.86 65.82 3dnf h ILE 179 Cb 0.55 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3dnf h ILE 179 CO 0.02 0.14 0.58 0.00 0.00 0.00 0.00 178.15 178.89 3dnf h ALA 180 N 1.25 2.33 0.00 1.87 0.00 -1.32 -0.69 119.26 122.70 3dnf h ALA 180 Ca 0.24 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3dnf h ALA 180 Cb -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dnf h ALA 180 CO -0.09 -0.60 -0.32 -0.07 0.00 0.00 0.00 179.25 178.18 3dnf h LEU 181 N 0.31 0.00 0.00 0.00 3.38 -1.13 -3.35 115.31 114.52 3dnf h LEU 181 Ca 0.44 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.31 3dnf h LEU 181 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3dnf h LEU 181 CO -0.13 0.32 -1.93 0.79 0.09 0.00 0.00 178.44 177.58 3dnf n TRP 182 N -3.55 0.00 -4.49 1.13 7.02 -0.34 -5.01 117.44 112.20 3dnf n TRP 182 Ca -0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.23 3dnf n TRP 182 Cb 0.46 -0.55 -0.10 0.00 -2.42 0.00 0.00 31.31 28.70 3dnf n TRP 182 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3dnf s VAL 183 N -2.98 2.41 0.11 -0.99 -7.23 -0.76 -5.04 120.40 105.92 3dnf s VAL 183 Ca -0.07 -2.27 -0.15 0.00 -1.81 0.00 0.00 61.98 57.68 3dnf s VAL 183 Cb 0.09 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3dnf s VAL 183 CO 0.73 -0.29 1.49 0.50 -0.31 0.00 0.00 175.10 177.22 3dnf h LYS 184 N 2.11 0.70 -3.24 4.82 3.64 -1.76 -3.45 116.57 119.38 3dnf h LYS 184 Ca -0.41 -0.29 -0.22 0.00 -1.27 0.00 0.00 60.65 58.46 3dnf h LYS 184 Cb 1.25 -0.03 -0.30 0.00 -0.41 0.00 0.00 32.23 32.75 3dnf h LYS 184 CO 0.65 0.89 -0.56 -2.00 -2.27 0.00 0.00 179.45 176.16 3dnf s GLU 185 N -4.67 0.14 -0.05 1.90 2.12 -0.42 -5.05 118.70 112.68 3dnf s GLU 185 Ca -0.13 0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.58 3dnf s GLU 185 Cb 0.09 -0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.40 3dnf s GLU 185 CO 0.81 -0.12 -0.12 0.08 -0.54 0.00 0.00 175.26 175.37 3dnf s VAL 186 N 0.86 1.05 -0.11 3.70 1.01 -1.26 -1.49 120.40 124.16 3dnf s VAL 186 Ca -0.06 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3dnf s VAL 186 Cb -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3dnf s VAL 186 CO -0.05 0.32 -0.23 -0.75 0.00 0.00 0.00 175.10 174.39 3dnf s LYS 187 N 0.38 3.05 -0.16 2.72 2.20 0.04 -4.98 119.74 123.00 3dnf s LYS 187 Ca -0.08 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.63 3dnf s LYS 187 Cb -0.12 -2.33 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 3dnf s LYS 187 CO 0.02 0.14 -0.07 0.08 -0.36 0.00 0.00 175.35 175.16 3dnf s VAL 188 N 0.43 3.54 -0.34 4.02 1.01 -1.26 0.09 120.40 127.89 3dnf s VAL 188 Ca -0.17 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 3dnf s VAL 188 Cb -0.17 -2.54 0.08 0.00 0.00 0.00 0.00 36.38 33.75 3dnf s VAL 188 CO 0.07 0.49 0.06 -0.63 0.00 0.00 0.00 175.10 175.10 3dnf s ILE 189 N 0.51 2.83 -0.59 2.22 1.01 -0.50 -4.96 121.20 121.72 3dnf s ILE 189 Ca -0.05 -1.84 -0.27 0.00 0.00 0.00 0.00 60.65 58.49 3dnf s ILE 189 Cb -0.15 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.49 3dnf s ILE 189 CO 0.03 -0.39 1.59 0.21 0.00 0.00 0.00 174.94 176.38 3dnf s ASN 190 N 1.34 5.80 -0.05 3.58 3.84 -1.26 -4.31 114.94 123.88 3dnf s ASN 190 Ca 0.02 0.26 0.17 0.00 0.21 0.00 0.00 52.86 53.53 3dnf s ASN 190 Cb -0.21 -2.54 0.56 0.00 -0.55 0.00 0.00 41.25 38.51 3dnf s ASN 190 CO -0.04 -1.98 1.47 0.35 -2.79 0.00 0.00 177.10 174.12 3dnf n THR 191 N 6.95 1.34 -1.81 -5.21 -2.24 -1.26 -4.96 114.28 107.09 3dnf n THR 191 Ca 0.15 -1.13 -0.42 0.00 -2.27 0.00 0.00 64.05 60.38 3dnf n THR 191 Cb 0.50 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3dnf n THR 191 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dnf s ILE 192 N -1.39 2.40 0.64 2.28 1.01 -1.26 -4.33 121.20 120.55 3dnf s ILE 192 Ca 0.42 0.20 -0.13 0.00 0.00 0.00 0.00 60.65 61.14 3dnf s ILE 192 Cb 0.24 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 3dnf s ILE 192 CO 0.24 0.01 1.06 0.00 0.00 0.00 0.00 174.94 176.25 3dnf n ASN 194 N -2.58 4.93 0.09 0.00 6.94 -1.26 -4.65 115.26 118.73 3dnf n ASN 194 Ca 0.08 -2.54 -0.12 0.00 -0.02 0.00 0.00 54.58 51.98 3dnf n ASN 194 Cb 0.53 -0.60 -0.05 0.00 -2.36 0.00 0.00 39.78 37.30 3dnf n ASN 194 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dnf h ALA 195 N 4.11 -0.33 -0.52 -2.53 0.00 -1.94 -0.37 119.26 117.68 3dnf h ALA 195 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3dnf h ALA 195 Cb 1.56 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3dnf h ALA 195 CO 0.29 -0.73 -0.16 1.15 0.00 0.00 0.00 179.25 179.80 3dnf h THR 196 N -0.38 1.27 -0.56 0.00 2.02 -1.99 -1.71 112.91 111.56 3dnf h THR 196 Ca 0.04 -1.33 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 3dnf h THR 196 Cb 0.41 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3dnf h THR 196 CO -0.14 0.46 0.12 0.77 0.37 0.00 0.00 175.52 177.11 3dnf h SER 197 N 0.89 0.86 -0.15 4.18 4.64 -1.85 -0.82 113.55 121.30 3dnf h SER 197 Ca 0.13 -0.24 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3dnf h SER 197 Cb 0.74 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3dnf h SER 197 CO 0.06 0.88 0.05 -0.07 -0.87 0.00 0.00 176.83 176.88 3dnf h LEU 198 N 0.81 0.05 -0.31 5.97 4.07 -0.92 0.15 115.31 125.12 3dnf h LEU 198 Ca 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 3dnf h LEU 198 Cb 0.37 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 3dnf h LEU 198 CO 0.00 0.05 0.17 -0.09 -1.08 0.00 0.00 178.44 177.50 3dnf h ARG 199 N 0.12 0.43 -0.13 1.13 2.43 -1.17 -2.62 114.38 114.56 3dnf h ARG 199 Ca 0.07 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 3dnf h ARG 199 Cb 0.04 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3dnf h ARG 199 CO -0.07 0.36 -0.42 1.96 -1.51 0.00 0.00 179.97 180.29 3dnf h GLN 200 N 0.38 0.52 -0.43 0.20 4.20 -0.89 -2.76 115.11 116.34 3dnf h GLN 200 Ca 0.11 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 3dnf h GLN 200 Cb 0.06 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3dnf h GLN 200 CO -0.02 1.01 0.25 0.93 -0.67 0.00 0.00 178.83 180.33 3dnf h GLU 201 N 0.14 0.58 -0.40 1.46 4.39 -0.77 -1.48 114.58 118.50 3dnf h GLU 201 Ca -0.01 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 3dnf h GLU 201 Cb 1.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 3dnf h GLU 201 CO 0.09 0.41 -0.11 1.03 -1.16 0.00 0.00 179.01 179.27 3dnf h SER 202 N 0.59 0.79 -0.77 1.42 0.87 -1.41 -2.06 113.55 112.97 3dnf h SER 202 Ca 0.16 -0.37 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 3dnf h SER 202 Cb -0.01 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 3dnf h SER 202 CO -0.03 0.98 0.51 0.58 -0.53 0.00 0.00 176.83 178.34 3dnf h VAL 203 N 0.59 1.19 0.00 2.23 2.07 -1.18 -1.40 116.25 119.76 3dnf h VAL 203 Ca 0.10 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3dnf h VAL 203 Cb 0.64 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3dnf h VAL 203 CO 0.04 0.19 -0.11 0.11 0.02 0.00 0.00 177.57 177.82 3dnf h LYS 204 N 1.04 0.00 0.24 1.57 1.57 -1.14 -0.62 116.57 119.23 3dnf h LYS 204 Ca 0.28 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.73 3dnf h LYS 204 Cb -0.12 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.23 3dnf h LYS 204 CO -0.06 0.11 -1.53 -0.22 -0.57 0.00 0.00 179.45 177.18 3dnf h LYS 205 N 0.00 0.50 0.01 3.15 3.64 -0.89 -3.38 116.57 119.60 3dnf h LYS 205 Ca -0.00 -0.85 -0.05 0.00 -1.27 0.00 0.00 60.65 58.48 3dnf h LYS 205 Cb 0.22 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3dnf h LYS 205 CO 0.01 1.41 -0.19 1.25 -2.27 0.00 0.00 179.45 179.67 3dnf h LEU 206 N 0.12 0.15 -0.77 5.20 5.85 -1.12 -3.39 115.31 121.35 3dnf h LEU 206 Ca -0.28 -0.83 0.18 0.00 0.84 0.00 0.00 57.88 57.79 3dnf h LEU 206 Cb 2.14 -0.05 -0.12 0.00 0.37 0.00 0.00 40.66 43.00 3dnf h LEU 206 CO 0.25 0.96 0.15 0.00 -0.34 0.00 0.00 178.44 179.46 3dnf h ALA 207 N 0.19 0.98 0.00 1.25 0.00 -1.28 0.34 119.26 120.73 3dnf h ALA 207 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dnf h ALA 207 Cb 1.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3dnf h ALA 207 CO 0.04 -0.38 0.00 -2.30 0.00 0.00 0.00 179.25 176.61 3dnf n PRO 208 N -5.21 0.32 -0.05 0.00 -0.02 -1.26 -3.17 135.00 125.61 3dnf n PRO 208 Ca 0.15 0.07 0.09 0.00 -2.02 0.00 0.00 63.50 61.79 3dnf n PRO 208 Cb 0.51 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.59 3dnf n PRO 208 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dnf n GLU 209 N -1.30 1.80 -4.47 -0.52 -0.58 0.12 -4.98 120.64 110.71 3dnf n GLU 209 Ca 0.11 -1.75 -0.23 0.00 -0.42 0.00 0.00 57.16 54.86 3dnf n GLU 209 Cb 0.19 -1.37 -0.10 0.00 -0.57 0.00 0.00 31.44 29.59 3dnf n GLU 209 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3dnf s VAL 210 N -1.45 2.00 -0.00 2.62 -7.23 -1.06 -5.00 120.40 110.27 3dnf s VAL 210 Ca 0.25 -2.21 -0.19 0.00 -1.81 0.00 0.00 61.98 58.02 3dnf s VAL 210 Cb 0.16 -2.45 -0.30 0.00 0.56 0.00 0.00 36.38 34.35 3dnf s VAL 210 CO 0.24 -0.31 1.00 0.44 -0.31 0.00 0.00 175.10 176.16 3dnf h ASP 211 N 2.21 0.64 -4.29 4.85 3.32 -1.82 -3.47 116.42 117.87 3dnf h ASP 211 Ca -0.40 -0.88 -0.38 0.00 0.02 0.00 0.00 57.03 55.39 3dnf h ASP 211 Cb 1.24 -0.20 -0.25 0.00 0.22 0.00 0.00 39.33 40.33 3dnf h ASP 211 CO 0.67 1.46 -0.77 0.54 -1.72 0.00 0.00 179.24 179.42 3dnf s VAL 212 N -2.74 0.80 -0.19 -1.35 0.11 -1.22 -4.77 120.40 111.04 3dnf s VAL 212 Ca -0.12 -0.76 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 3dnf s VAL 212 Cb 0.03 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3dnf s VAL 212 CO 0.87 -0.01 -0.06 -0.04 -3.33 0.00 0.00 175.10 172.53 3dnf s MET 213 N -0.86 3.43 -0.29 1.54 -1.94 -0.84 -1.40 119.30 118.93 3dnf s MET 213 Ca -0.00 -0.62 -0.12 0.00 -1.71 0.00 0.00 55.69 53.23 3dnf s MET 213 Cb -0.06 -2.90 -0.04 0.00 2.01 0.00 0.00 34.83 33.84 3dnf s MET 213 CO 0.00 -0.02 0.24 0.42 -0.01 0.00 0.00 175.02 175.65 3dnf s ILE 214 N 1.00 5.28 -0.28 2.53 1.09 0.05 -0.53 121.20 130.33 3dnf s ILE 214 Ca -0.00 0.18 -0.05 0.00 -1.10 0.00 0.00 60.65 59.68 3dnf s ILE 214 Cb -0.15 -3.60 0.02 0.00 -1.06 0.00 0.00 42.46 37.67 3dnf s ILE 214 CO -0.00 0.18 0.04 -0.63 -0.10 0.00 0.00 174.94 174.44 3dnf s ILE 215 N 1.82 3.65 -0.12 2.92 -1.09 -0.33 -1.27 121.20 126.79 3dnf s ILE 215 Ca 0.08 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 3dnf s ILE 215 Cb -0.16 -2.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.78 3dnf s ILE 215 CO 0.11 0.09 0.27 -0.63 -1.23 0.00 0.00 174.94 173.55 3dnf s ILE 216 N 1.44 5.30 0.00 2.92 1.01 -0.37 -1.25 121.20 130.26 3dnf s ILE 216 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.17 3dnf s ILE 216 Cb -0.17 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3dnf s ILE 216 CO 0.01 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.04 3dnf n GLY 217 N 2.76 1.89 3.62 6.18 0.00 0.28 -0.45 105.19 119.47 3dnf n GLY 217 Ca -0.14 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 3dnf n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dnf n GLY 218 N -0.82 -0.10 0.30 -0.02 0.00 -1.26 -3.94 105.19 99.35 3dnf n GLY 218 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.27 3dnf n GLY 218 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dnf h LYS 219 N 1.87 0.78 -0.64 1.61 1.79 -1.97 -2.04 116.57 117.97 3dnf h LYS 219 Ca -0.43 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3dnf h LYS 219 Cb 1.33 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3dnf h LYS 219 CO 0.59 0.52 0.00 0.09 -1.08 0.00 0.00 179.45 179.57 3dnf n ASN 220 N -4.73 4.75 -4.62 0.86 3.02 -1.26 -4.88 115.26 108.40 3dnf n ASN 220 Ca 0.12 -2.61 -0.43 0.00 -0.03 0.00 0.00 54.58 51.63 3dnf n ASN 220 Cb 0.22 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.77 3dnf n ASN 220 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dnf s SER 221 N -0.77 6.66 0.17 6.41 0.15 -0.77 -4.94 113.70 120.63 3dnf s SER 221 Ca 0.47 1.03 -0.14 0.00 0.70 0.00 0.00 55.95 58.01 3dnf s SER 221 Cb 0.33 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 62.23 3dnf s SER 221 CO 0.18 -1.12 1.75 1.23 1.20 0.00 0.00 173.24 176.48 3dnf h GLY 222 N 10.98 0.60 2.00 9.45 0.00 -1.90 -1.48 103.07 122.73 3dnf h GLY 222 Ca -0.25 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3dnf h GLY 222 CO 1.05 0.03 -0.67 3.45 0.00 0.00 0.00 176.54 180.40 3dnf h ASN 223 N 0.35 0.00 -0.38 0.19 7.08 -1.97 -2.33 115.58 118.51 3dnf h ASN 223 Ca 0.21 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.29 3dnf h ASN 223 Cb 0.20 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.44 3dnf h ASN 223 CO -0.21 0.67 -0.33 0.74 -2.08 0.00 0.00 177.43 176.22 3dnf h THR 224 N 0.00 1.27 -0.53 6.14 2.02 -1.86 -2.20 112.91 117.75 3dnf h THR 224 Ca -0.01 -1.50 0.02 0.00 0.77 0.00 0.00 66.41 65.69 3dnf h THR 224 Cb 1.24 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.93 3dnf h THR 224 CO 0.09 0.51 0.33 0.03 0.37 0.00 0.00 175.52 176.85 3dnf h ARG 225 N 0.77 0.65 -0.25 6.66 2.47 -1.14 0.11 114.38 123.64 3dnf h ARG 225 Ca 0.08 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.77 3dnf h ARG 225 Cb 0.91 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.07 3dnf h ARG 225 CO 0.08 0.43 0.13 0.00 0.56 0.00 0.00 179.97 181.18 3dnf h ARG 226 N 0.67 0.27 -0.58 0.04 3.08 -1.36 -0.69 114.38 115.80 3dnf h ARG 226 Ca 0.21 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.33 3dnf h ARG 226 Cb -0.02 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 29.90 3dnf h ARG 226 CO -0.07 0.18 0.22 -0.07 -1.07 0.00 0.00 179.97 179.16 3dnf h LEU 227 N 0.28 0.23 -0.72 3.04 3.38 -1.17 -0.65 115.31 119.70 3dnf h LEU 227 Ca 0.10 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3dnf h LEU 227 Cb 0.02 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3dnf h LEU 227 CO -0.06 0.15 0.45 0.22 0.09 0.00 0.00 178.44 179.29 3dnf h TYR 228 N 0.41 0.85 -0.08 1.13 3.20 -0.27 -1.18 116.97 121.03 3dnf h TYR 228 Ca 0.29 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 62.02 3dnf h TYR 228 Cb 0.33 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3dnf h TYR 228 CO -0.16 0.48 -0.66 1.88 -1.64 0.00 0.00 178.16 178.06 3dnf h TYR 229 N 0.88 0.45 -0.14 -3.82 0.99 -0.53 0.20 116.97 115.00 3dnf h TYR 229 Ca 0.29 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 60.81 3dnf h TYR 229 Cb 0.03 -0.07 -0.00 0.00 1.00 0.00 0.00 36.73 37.68 3dnf h TYR 229 CO -0.04 0.90 -0.01 0.82 -0.00 0.00 0.00 178.16 179.83 3dnf h ILE 230 N 0.24 1.27 -0.43 -2.88 2.04 -0.94 -2.50 117.51 114.32 3dnf h ILE 230 Ca -0.02 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.96 3dnf h ILE 230 Cb 1.21 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 3dnf h ILE 230 CO 0.11 0.26 0.27 -1.28 0.00 0.00 0.00 178.15 177.51 3dnf h SER 231 N -0.02 0.46 -0.60 1.72 0.87 -1.14 -3.26 113.55 111.58 3dnf h SER 231 Ca 0.04 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3dnf h SER 231 Cb 0.40 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 3dnf h SER 231 CO 0.01 0.33 0.31 0.50 -0.53 0.00 0.00 176.83 177.45 3dnf h LYS 232 N 0.55 0.57 0.00 2.24 1.63 -0.45 -0.19 116.57 120.92 3dnf h LYS 232 Ca 0.16 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 3dnf h LYS 232 Cb -0.03 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 3dnf h LYS 232 CO -0.05 0.38 -0.25 1.05 -3.45 0.00 0.00 179.45 177.12 3dnf h GLU 233 N 0.58 0.00 0.00 1.90 4.11 -1.49 -2.69 114.58 117.00 3dnf h GLU 233 Ca 0.27 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.42 3dnf h GLU 233 Cb 0.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3dnf h GLU 233 CO -0.19 0.25 -1.59 -0.07 0.07 0.00 0.00 179.01 177.49 3dnf h LEU 234 N 0.00 0.01 -6.53 3.06 4.07 -1.56 -3.44 115.31 110.92 3dnf h LEU 234 Ca -0.00 -0.01 -0.51 0.00 0.08 0.00 0.00 57.88 57.43 3dnf h LEU 234 Cb 0.67 -0.00 -0.37 0.00 1.08 0.00 0.00 40.66 42.04 3dnf h LEU 234 CO 0.03 1.01 -0.80 0.21 -1.08 0.00 0.00 178.44 177.82 3dnf s ASN 235 N -6.21 2.46 0.45 -0.43 3.04 -0.11 -4.67 114.94 109.47 3dnf s ASN 235 Ca -0.04 -1.93 0.22 0.00 0.04 0.00 0.00 52.86 51.15 3dnf s ASN 235 Cb 0.08 -0.10 1.20 0.00 -1.54 0.00 0.00 41.25 40.89 3dnf s ASN 235 CO 0.82 -0.31 1.63 1.55 -3.04 0.00 0.00 177.10 177.76 3dnf h PRO 236 N 7.14 0.00 -2.50 0.43 0.13 -1.79 -3.00 132.00 132.41 3dnf h PRO 236 Ca 0.04 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.53 3dnf h PRO 236 Cb 1.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.02 3dnf h PRO 236 CO 0.26 0.00 2.01 -1.71 -0.23 0.00 0.00 178.00 178.33 3dnf n ASN 237 N -2.42 7.62 -4.13 1.44 5.15 -1.26 -4.92 115.26 116.74 3dnf n ASN 237 Ca -0.01 -3.00 -0.28 0.00 -0.60 0.00 0.00 54.58 50.68 3dnf n ASN 237 Cb 0.27 -1.37 -0.17 0.00 -0.53 0.00 0.00 39.78 37.98 3dnf n ASN 237 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3dnf s THR 238 N -0.64 1.61 -0.10 -0.44 2.01 -1.13 -1.99 115.64 114.96 3dnf s THR 238 Ca 0.59 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.84 3dnf s THR 238 Cb 0.24 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 3dnf s THR 238 CO -0.11 0.46 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.80 3dnf s TYR 239 N 0.41 2.69 -0.29 4.92 1.51 0.31 -4.98 117.35 121.92 3dnf s TYR 239 Ca -0.15 -0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 55.17 3dnf s TYR 239 Cb -0.16 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 3dnf s TYR 239 CO 0.06 -0.19 0.14 -1.58 -1.11 0.00 0.00 175.55 172.87 3dnf s HIS 240 N 0.09 3.16 0.27 2.71 5.65 -1.26 -1.19 115.29 124.72 3dnf s HIS 240 Ca -0.08 -0.45 0.09 0.00 0.25 0.00 0.00 55.06 54.87 3dnf s HIS 240 Cb -0.15 -2.33 -0.05 0.00 -1.18 0.00 0.00 32.58 28.87 3dnf s HIS 240 CO 0.05 -0.40 -0.13 0.96 -0.65 0.00 0.00 174.74 174.58 3dnf s ILE 241 N 1.63 1.97 -0.26 0.89 -4.36 -0.38 -4.98 121.20 115.71 3dnf s ILE 241 Ca 0.05 -2.24 -0.07 0.00 -0.26 0.00 0.00 60.65 58.13 3dnf s ILE 241 Cb -0.16 -2.32 -0.13 0.00 1.25 0.00 0.00 42.46 41.09 3dnf s ILE 241 CO 0.06 -0.40 -0.29 -0.62 0.24 0.00 0.00 174.94 173.93 3dnf n GLU 242 N -0.56 0.58 -4.19 0.37 1.02 -1.25 -0.56 120.64 116.05 3dnf n GLU 242 Ca -0.06 0.21 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 3dnf n GLU 242 Cb 0.62 -1.46 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 3dnf n GLU 242 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3dnf s THR 243 N -2.49 0.00 0.14 2.62 -4.23 -1.26 -4.48 115.64 105.94 3dnf s THR 243 Ca -0.35 -1.94 0.31 0.00 -1.18 0.00 0.00 61.69 58.53 3dnf s THR 243 Cb 0.12 -2.47 0.31 0.00 1.34 0.00 0.00 72.50 71.80 3dnf s THR 243 CO 0.50 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.54 3dnf h ALA 244 N 2.54 1.00 -0.56 3.99 0.00 -1.88 -2.07 119.26 122.28 3dnf h ALA 244 Ca -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3dnf h ALA 244 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3dnf h ALA 244 CO 0.50 0.00 0.35 0.93 0.00 0.00 0.00 179.25 181.02 3dnf h GLU 245 N 0.00 0.75 0.00 0.00 4.39 -1.95 -2.50 114.58 115.26 3dnf h GLU 245 Ca 0.00 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 3dnf h GLU 245 Cb 0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3dnf h GLU 245 CO 0.00 0.52 -0.52 0.93 -1.16 0.00 0.00 179.01 178.77 3dnf h GLU 246 N 0.76 0.00 -5.48 2.33 5.08 -1.80 -3.44 114.58 112.04 3dnf h GLU 246 Ca 0.20 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.05 3dnf h GLU 246 Cb -0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3dnf h GLU 246 CO -0.04 0.52 1.64 1.28 -1.00 0.00 0.00 179.01 181.42 3dnf n LEU 247 N -3.48 1.63 -4.68 1.33 4.77 -0.94 -4.89 117.00 110.73 3dnf n LEU 247 Ca 0.00 -0.12 -0.40 0.00 -0.03 0.00 0.00 56.01 55.46 3dnf n LEU 247 Cb 0.63 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 3dnf n LEU 247 CO 0.40 -1.14 0.44 -1.10 -1.33 0.00 0.00 177.39 174.66 3dnf s GLN 248 N 8.15 4.29 0.31 3.23 -0.21 -1.26 -4.99 119.66 129.19 3dnf s GLN 248 Ca 1.13 0.79 0.03 0.00 0.02 0.00 0.00 55.36 57.33 3dnf s GLN 248 Cb -0.65 -3.54 0.80 0.00 1.00 0.00 0.00 33.01 30.62 3dnf s GLN 248 CO 0.38 -0.18 1.59 -1.35 -2.12 0.00 0.00 175.29 173.60 3dnf h PRO 249 N 7.24 0.04 -0.20 2.91 0.11 -1.98 -1.86 132.00 138.27 3dnf h PRO 249 Ca -0.33 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.83 3dnf h PRO 249 Cb 1.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dnf h PRO 249 CO 0.79 0.03 0.19 1.05 -0.21 0.00 0.00 178.00 179.84 3dnf h GLU 250 N 0.05 0.00 0.00 1.05 4.11 -2.00 -2.58 114.58 115.21 3dnf h GLU 250 Ca 0.61 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 60.03 3dnf h GLU 250 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3dnf h GLU 250 CO -0.85 0.00 -0.06 -1.49 0.07 0.00 0.00 179.01 176.68 3dnf h TRP 251 N 0.00 0.00 -0.38 2.06 6.55 -1.75 -3.17 115.95 119.26 3dnf h TRP 251 Ca 0.09 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.93 3dnf h TRP 251 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 3dnf h TRP 251 CO 0.00 0.06 0.00 1.19 -1.05 0.00 0.00 178.44 178.64 3dnf n PHE 252 N -3.21 1.19 -1.94 0.49 3.01 -0.97 -4.91 117.46 111.13 3dnf n PHE 252 Ca -0.00 -0.77 -0.42 0.00 1.01 0.00 0.00 57.45 57.27 3dnf n PHE 252 Cb 0.30 -0.32 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 3dnf n PHE 252 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3dnf s ARG 253 N -2.49 4.20 0.00 -1.08 3.52 -1.20 -3.15 118.95 118.75 3dnf s ARG 253 Ca 0.44 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.35 3dnf s ARG 253 Cb 0.33 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3dnf s ARG 253 CO 0.13 -0.73 0.00 0.41 -0.81 0.00 0.00 175.30 174.30 3dnf n GLY 254 N 3.98 0.23 3.76 8.12 0.00 -1.26 -5.00 105.19 115.02 3dnf n GLY 254 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3dnf n GLY 254 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dnf s VAL 255 N -1.51 4.93 -0.07 1.61 -7.23 -1.19 -4.96 120.40 111.99 3dnf s VAL 255 Ca 0.00 1.21 0.22 0.00 -1.81 0.00 0.00 61.98 61.60 3dnf s VAL 255 Cb 0.00 -3.92 -0.29 0.00 0.56 0.00 0.00 36.38 32.73 3dnf s VAL 255 CO 0.00 0.41 0.52 2.29 -0.31 0.00 0.00 175.10 178.01 3dnf n LYS 256 N 2.77 0.66 -4.38 4.82 2.85 -1.26 -4.97 118.16 118.64 3dnf n LYS 256 Ca -0.07 -0.14 -0.19 0.00 -1.05 0.00 0.00 58.31 56.86 3dnf n LYS 256 Cb 0.51 -1.56 -0.14 0.00 -0.65 0.00 0.00 35.03 33.19 3dnf n LYS 256 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3dnf s ARG 257 N -3.40 0.87 -0.06 -1.58 0.52 -1.26 -3.94 118.95 110.11 3dnf s ARG 257 Ca -0.07 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 3dnf s ARG 257 Cb 0.13 -0.85 0.02 0.00 0.52 0.00 0.00 34.95 34.77 3dnf s ARG 257 CO 0.89 0.22 -0.06 0.08 0.02 0.00 0.00 175.30 176.45 3dnf s VAL 258 N -0.61 0.69 -0.04 3.52 1.01 -1.07 -2.80 120.40 121.09 3dnf s VAL 258 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3dnf s VAL 258 Cb -0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3dnf s VAL 258 CO 0.00 0.27 0.04 -0.83 0.00 0.00 0.00 175.10 174.58 3dnf s GLY 259 N 1.03 1.94 -0.03 4.51 0.00 -0.49 0.27 107.32 114.54 3dnf s GLY 259 Ca -0.09 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.81 3dnf s GLY 259 CO -0.00 -0.67 -0.10 -0.42 0.00 0.00 0.00 173.10 171.91 3dnf s ILE 260 N -1.05 0.88 0.33 0.90 1.01 0.71 -0.77 121.20 123.21 3dnf s ILE 260 Ca 0.18 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.50 3dnf s ILE 260 Cb -0.12 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 3dnf s ILE 260 CO 0.08 0.28 0.27 -0.55 0.00 0.00 0.00 174.94 175.02 3dnf s SER 261 N 0.27 1.69 -0.03 3.58 0.15 -0.39 0.94 113.70 119.90 3dnf s SER 261 Ca -0.05 -1.75 -0.23 0.00 0.70 0.00 0.00 55.95 54.62 3dnf s SER 261 Cb -0.10 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 64.81 3dnf s SER 261 CO 0.01 -1.05 0.49 0.00 1.20 0.00 0.00 173.24 173.89 3dnf s ALA 262 N -3.45 -1.27 1.06 5.45 0.00 -1.26 -1.23 121.76 121.06 3dnf s ALA 262 Ca 0.40 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 3dnf s ALA 262 Cb 0.02 0.02 0.23 0.00 0.00 0.00 0.00 23.12 23.39 3dnf s ALA 262 CO 0.27 -0.31 1.07 0.20 0.00 0.00 0.00 175.76 176.98 3dnf s GLY 263 N -1.23 1.58 0.39 0.00 0.00 0.41 -1.46 107.32 107.01 3dnf s GLY 263 Ca -0.12 -0.02 0.25 0.00 0.00 0.00 0.00 44.72 44.83 3dnf s GLY 263 CO 0.07 0.60 1.76 0.00 0.00 0.00 0.00 173.10 175.53 3dnf h ALA 264 N -2.26 1.03 -0.12 3.20 0.00 -1.91 -2.30 119.26 116.91 3dnf h ALA 264 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3dnf h ALA 264 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3dnf h ALA 264 CO 0.50 -0.03 0.00 0.43 0.00 0.00 0.00 179.25 180.15 3dnf n SER 265 N -2.40 2.77 -4.61 0.00 7.64 -1.26 -3.93 113.62 111.83 3dnf n SER 265 Ca -0.02 -1.84 -0.39 0.00 1.01 0.00 0.00 58.87 57.63 3dnf n SER 265 Cb 0.08 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.13 3dnf n SER 265 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3dnf s THR 266 N -1.50 5.12 0.65 0.44 2.01 -0.86 -4.97 115.64 116.53 3dnf s THR 266 Ca 0.25 0.73 -0.13 0.00 0.31 0.00 0.00 61.69 62.86 3dnf s THR 266 Cb 0.17 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 3dnf s THR 266 CO 0.25 0.12 1.06 -2.16 -0.69 0.00 0.00 174.62 173.20 3dnf s PRO 267 N 2.17 3.10 0.46 4.92 0.04 -1.26 -3.23 135.00 141.20 3dnf s PRO 267 Ca 0.18 1.04 0.13 0.00 0.04 0.00 0.00 61.00 62.39 3dnf s PRO 267 Cb -0.16 -2.01 1.03 0.00 0.04 0.00 0.00 34.50 33.41 3dnf s PRO 267 CO 0.09 -0.97 2.05 -0.44 0.04 0.00 0.00 177.00 177.77 3dnf h ASP 268 N -0.27 0.13 0.44 6.66 3.32 -1.97 -2.42 116.42 122.31 3dnf h ASP 268 Ca -0.45 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 3dnf h ASP 268 Cb 1.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3dnf h ASP 268 CO 0.57 0.18 -0.34 4.11 -1.72 0.00 0.00 179.24 182.05 3dnf h TRP 269 N 0.14 0.00 -0.15 4.55 5.08 -1.98 0.27 115.95 123.86 3dnf h TRP 269 Ca 0.04 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.83 3dnf h TRP 269 Cb 0.14 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.31 3dnf h TRP 269 CO 0.00 0.34 -0.57 0.82 -1.28 0.00 0.00 178.44 177.74 3dnf h ILE 270 N 0.00 1.32 -0.97 0.12 2.04 -1.83 -0.27 117.51 117.92 3dnf h ILE 270 Ca -0.00 -1.83 0.04 0.00 1.00 0.00 0.00 64.86 64.07 3dnf h ILE 270 Cb 0.65 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 3dnf h ILE 270 CO 0.04 0.57 0.64 0.40 0.00 0.00 0.00 178.15 179.80 3dnf h ILE 271 N 0.33 1.17 -0.43 -0.67 2.04 -1.26 -2.20 117.51 116.49 3dnf h ILE 271 Ca -0.03 -0.42 -0.15 0.00 1.00 0.00 0.00 64.86 65.27 3dnf h ILE 271 Cb 1.20 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3dnf h ILE 271 CO 0.12 0.22 -0.30 -0.33 0.00 0.00 0.00 178.15 177.87 3dnf h GLU 272 N 1.23 0.96 0.00 2.37 4.39 -0.35 -1.81 114.58 121.36 3dnf h GLU 272 Ca 0.38 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3dnf h GLU 272 Cb 0.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3dnf h GLU 272 CO -0.12 1.12 -0.10 1.96 -1.16 0.00 0.00 179.01 180.71 3dnf h GLN 273 N 0.81 0.00 -0.00 2.33 4.20 -0.78 -1.57 115.11 120.09 3dnf h GLN 273 Ca 0.09 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3dnf h GLN 273 Cb 0.88 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.67 3dnf h GLN 273 CO 0.08 0.10 -0.38 0.28 -0.67 0.00 0.00 178.83 178.24 3dnf h VAL 274 N 0.00 1.51 -0.59 -0.54 2.07 -1.19 -2.55 116.25 114.96 3dnf h VAL 274 Ca -0.00 -2.00 0.10 0.00 0.82 0.00 0.00 66.70 65.61 3dnf h VAL 274 Cb 0.19 2.72 -0.07 0.00 -1.52 0.00 0.00 31.29 32.61 3dnf h VAL 274 CO 0.01 0.56 0.19 0.50 0.02 0.00 0.00 177.57 178.85 3dnf h LYS 275 N -0.36 0.34 0.00 1.57 1.63 -1.12 -1.33 116.57 117.30 3dnf h LYS 275 Ca -0.05 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.60 3dnf h LYS 275 Cb 1.12 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 3dnf h LYS 275 CO 0.07 0.22 -0.64 0.66 -3.45 0.00 0.00 179.45 176.31 3dnf h SER 276 N 0.35 0.00 0.28 4.20 4.64 -1.38 -1.11 113.55 120.53 3dnf h SER 276 Ca 0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.50 3dnf h SER 276 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3dnf h SER 276 CO -0.33 0.64 -0.47 -0.09 -0.87 0.00 0.00 176.83 175.72 3dnf h ARG 277 N 0.00 0.23 0.17 4.77 9.65 -1.07 -3.02 114.38 125.11 3dnf h ARG 277 Ca -0.01 -0.12 -0.29 0.00 -1.10 0.00 0.00 59.98 58.46 3dnf h ARG 277 Cb 1.30 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.91 3dnf h ARG 277 CO 0.08 0.66 -1.24 0.82 2.80 0.00 0.00 179.97 183.09 3dnf h ILE 278 N 0.19 1.32 0.00 1.20 2.04 -1.09 -3.17 117.51 118.00 3dnf h ILE 278 Ca 0.01 -2.54 -0.00 0.00 1.00 0.00 0.00 64.86 63.33 3dnf h ILE 278 Cb 0.90 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 39.87 3dnf h ILE 278 CO 0.07 0.76 -0.01 0.06 0.00 0.00 0.00 178.15 179.03 3dnf h GLN 279 N 0.12 0.00 -0.05 2.37 3.07 -1.24 -0.55 115.11 118.84 3dnf h GLN 279 Ca -0.20 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.43 3dnf h GLN 279 Cb 1.94 0.00 0.01 0.00 0.08 0.00 0.00 27.48 29.51 3dnf h GLN 279 CO 0.24 0.01 -0.39 0.93 0.09 0.00 0.00 178.83 179.70 3dnf h GLU 280 N 0.00 0.35 0.00 0.06 5.08 -1.57 -3.51 114.58 114.99 3dnf h GLU 280 Ca -0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3dnf h GLU 280 Cb 0.10 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3dnf h GLU 280 CO 0.00 0.97 0.00 -0.89 -1.00 0.00 0.00 179.01 178.09