#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnf n SER 2 N 0.00 -3.75 -4.50 1.61 2.88 -1.26 -5.03 113.62 103.57 2dnf n SER 2 Ca 0.00 -0.27 -0.34 0.00 -1.33 0.00 0.00 58.87 56.93 2dnf n SER 2 Cb 0.00 -2.75 -0.12 0.00 -0.75 0.00 0.00 64.21 60.59 2dnf n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnf s SER 3 N -3.26 4.57 0.45 -3.46 0.15 -1.26 -5.11 113.70 105.79 2dnf s SER 3 Ca 0.23 -0.14 -0.17 0.00 0.70 0.00 0.00 55.95 56.58 2dnf s SER 3 Cb -0.10 -1.55 -0.09 0.00 -1.71 0.00 0.00 66.02 62.57 2dnf s SER 3 CO 0.36 0.23 0.91 -0.83 1.20 0.00 0.00 173.24 175.11 2dnf s GLY 4 N -0.01 2.16 0.32 9.45 0.00 -1.26 -5.06 107.32 112.93 2dnf s GLY 4 Ca -0.01 0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.77 2dnf s GLY 4 CO 0.03 0.42 0.68 -0.56 0.00 0.00 0.00 173.10 173.67 2dnf s SER 5 N -2.75 6.61 0.10 1.64 0.01 -1.26 -5.08 113.70 112.98 2dnf s SER 5 Ca 0.58 1.07 -0.08 0.00 1.31 0.00 0.00 55.95 58.83 2dnf s SER 5 Cb -0.10 -2.29 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 2dnf s SER 5 CO 0.25 -0.24 0.39 -0.55 0.41 0.00 0.00 173.24 173.50 2dnf s SER 6 N -2.70 6.58 0.01 2.44 0.15 -1.26 -5.03 113.70 113.89 2dnf s SER 6 Ca 0.50 0.72 -0.02 0.00 0.70 0.00 0.00 55.95 57.85 2dnf s SER 6 Cb -0.11 -2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2dnf s SER 6 CO 0.24 0.12 -0.04 0.61 1.20 0.00 0.00 173.24 175.38 2dnf n GLY 7 N 0.59 -0.11 2.88 9.45 0.00 -1.26 -4.96 105.19 111.78 2dnf n GLY 7 Ca -0.06 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2dnf n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dnf s ARG 8 N -1.46 1.92 0.50 1.61 3.00 -1.26 -5.10 118.95 118.16 2dnf s ARG 8 Ca -0.03 -2.64 -0.23 0.00 0.00 0.00 0.00 55.73 52.83 2dnf s ARG 8 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 34.95 31.78 2dnf s ARG 8 CO 0.05 -1.16 1.30 -1.59 0.00 0.00 0.00 175.30 173.90 2dnf s LYS 9 N -0.39 3.45 1.04 3.54 -2.85 -1.26 -5.02 119.74 118.26 2dnf s LYS 9 Ca 0.19 2.10 -0.17 0.00 -1.00 0.00 0.00 55.97 57.08 2dnf s LYS 9 Cb -0.21 -2.38 0.26 0.00 -2.06 0.00 0.00 37.83 33.43 2dnf s LYS 9 CO -0.04 -0.90 0.92 -0.35 0.10 0.00 0.00 175.35 175.09 2dnf n PRO 10 N -0.68 -2.83 -0.25 1.78 -0.04 -1.26 -4.98 135.00 126.74 2dnf n PRO 10 Ca 0.08 -1.47 0.07 0.00 -0.04 0.00 0.00 63.50 62.14 2dnf n PRO 10 Cb 0.46 -1.38 0.20 0.00 -0.04 0.00 0.00 33.50 32.73 2dnf n PRO 10 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2dnf n LEU 11 N 0.00 3.26 -4.46 1.53 -0.00 -1.26 -4.85 117.00 111.21 2dnf n LEU 11 Ca 0.13 -2.10 -0.44 0.00 -0.00 0.00 0.00 56.01 53.59 2dnf n LEU 11 Cb 0.50 -0.31 -0.01 0.00 -0.00 0.00 0.00 43.42 43.59 2dnf n LEU 11 CO 0.34 0.77 1.20 -1.10 -0.00 0.00 0.00 177.39 178.60 2dnf s GLN 12 N -1.19 3.84 0.16 1.47 -0.21 -1.26 -5.01 119.66 117.46 2dnf s GLN 12 Ca 0.30 -2.15 -0.18 0.00 0.02 0.00 0.00 55.36 53.36 2dnf s GLN 12 Cb 0.17 -5.00 -0.07 0.00 1.00 0.00 0.00 33.01 29.10 2dnf s GLN 12 CO 0.18 -1.78 0.62 -1.21 -2.12 0.00 0.00 175.29 170.98 2dnf s GLU 13 N 2.21 4.14 1.05 2.91 8.01 -1.26 -4.68 118.70 131.08 2dnf s GLU 13 Ca 0.38 0.69 -0.14 0.00 0.01 0.00 0.00 54.97 55.92 2dnf s GLU 13 Cb -0.04 -2.99 0.21 0.00 -4.31 0.00 0.00 34.13 27.01 2dnf s GLU 13 CO -0.05 0.49 1.10 -1.25 0.01 0.00 0.00 175.26 175.55 2dnf s PRO 14 N -1.76 0.02 -0.03 0.39 0.04 -1.26 -4.54 135.00 127.86 2dnf s PRO 14 Ca 0.38 0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.81 2dnf s PRO 14 Cb -0.17 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.69 2dnf s PRO 14 CO 0.20 -2.98 -0.03 0.00 0.04 0.00 0.00 177.00 174.24 2dnf s THR 16 N 0.63 5.20 0.28 0.00 2.01 -1.26 -1.31 115.64 121.19 2dnf s THR 16 Ca -0.07 -0.27 0.12 0.00 0.31 0.00 0.00 61.69 61.78 2dnf s THR 16 Cb -0.10 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 2dnf s THR 16 CO -0.01 -0.20 -0.20 0.27 -0.69 0.00 0.00 174.62 173.79 2dnf s ILE 17 N 1.90 2.50 -0.10 1.82 -4.36 -0.36 -0.47 121.20 122.14 2dnf s ILE 17 Ca 0.09 -2.38 -0.02 0.00 -0.26 0.00 0.00 60.65 58.08 2dnf s ILE 17 Cb -0.17 -2.31 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 2dnf s ILE 17 CO 0.11 -0.39 0.01 -0.36 0.24 0.00 0.00 174.94 174.55 2dnf s PHE 18 N -2.47 3.17 0.14 1.37 0.08 -0.18 -1.54 117.98 118.56 2dnf s PHE 18 Ca 0.30 0.16 0.11 0.00 0.12 0.00 0.00 56.93 57.61 2dnf s PHE 18 Cb -0.05 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 2dnf s PHE 18 CO 0.15 0.42 -0.26 -0.51 -0.10 0.00 0.00 175.22 174.92 2dnf s LEU 19 N -0.71 2.35 -0.01 -0.37 2.01 -0.94 -0.18 118.68 120.84 2dnf s LEU 19 Ca 0.11 -0.78 -0.02 0.00 0.01 0.00 0.00 54.13 53.46 2dnf s LEU 19 Cb -0.12 -1.17 -0.00 0.00 0.01 0.00 0.00 46.19 44.91 2dnf s LEU 19 CO 0.02 0.15 0.04 -0.63 1.01 0.00 0.00 176.35 176.94 2dnf s ILE 20 N -1.25 0.03 -0.07 -0.59 1.01 -0.92 -0.93 121.20 118.49 2dnf s ILE 20 Ca 0.15 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 2dnf s ILE 20 Cb -0.09 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2dnf s ILE 20 CO 0.07 -0.15 1.31 0.00 0.00 0.00 0.00 174.94 176.17 2dnf s ALA 21 N -0.46 3.57 0.14 9.38 0.00 -1.26 -0.47 121.76 132.66 2dnf s ALA 21 Ca -0.05 0.69 -0.33 0.00 0.00 0.00 0.00 51.96 52.27 2dnf s ALA 21 Cb -0.03 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 2dnf s ALA 21 CO -0.00 -0.96 1.74 -1.71 0.00 0.00 0.00 175.76 174.83 2dnf n ASN 22 N 5.75 3.69 0.00 0.00 5.15 -0.93 -1.37 115.26 127.56 2dnf n ASN 22 Ca 0.13 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 2dnf n ASN 22 Cb 0.45 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 2dnf n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dnf n GLY 23 N 3.94 0.76 3.32 8.20 0.00 -1.26 -5.00 105.19 115.14 2dnf n GLY 23 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2dnf n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dnf s ASP 24 N -2.25 4.33 -0.06 1.61 -1.08 -0.47 -4.95 116.67 113.80 2dnf s ASP 24 Ca 0.00 -0.38 0.09 0.00 -0.52 0.00 0.00 52.55 51.74 2dnf s ASP 24 Cb 0.00 -1.74 0.13 0.00 -1.46 0.00 0.00 42.92 39.85 2dnf s ASP 24 CO 0.00 -0.02 1.02 0.18 0.52 0.00 0.00 175.17 176.88 2dnf n LEU 25 N 4.77 1.66 -0.05 -1.34 7.99 -1.26 -4.74 117.00 124.02 2dnf n LEU 25 Ca -0.18 -2.15 -0.09 0.00 -0.01 0.00 0.00 56.01 53.57 2dnf n LEU 25 Cb 0.51 -0.20 -0.05 0.00 -0.11 0.00 0.00 43.42 43.57 2dnf n LEU 25 CO 0.29 0.51 -0.86 -0.38 -1.51 0.00 0.00 177.39 175.43 2dnf n ILE 26 N -0.81 0.62 -3.41 -0.08 -0.00 -1.26 -5.02 119.36 109.41 2dnf n ILE 26 Ca 0.07 -0.21 -0.36 0.00 -0.00 0.00 0.00 62.75 62.25 2dnf n ILE 26 Cb 0.52 -1.15 -0.06 0.00 -0.00 0.00 0.00 39.64 38.96 2dnf n ILE 26 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2dnf s ASN 27 N -5.38 6.84 1.03 4.38 0.01 -1.26 -5.09 114.94 115.46 2dnf s ASN 27 Ca -0.15 1.04 -0.02 0.00 -0.71 0.00 0.00 52.86 53.02 2dnf s ASN 27 Cb 0.05 -2.28 0.03 0.00 0.41 0.00 0.00 41.25 39.46 2dnf s ASN 27 CO 0.23 0.19 0.11 -0.81 -1.51 0.00 0.00 177.10 175.31 2dnf n PRO 28 N 1.20 -1.25 -2.07 -0.60 -0.04 -1.26 -4.94 135.00 126.04 2dnf n PRO 28 Ca -0.08 -0.18 -0.18 0.00 -0.04 0.00 0.00 63.50 63.01 2dnf n PRO 28 Cb 0.52 -0.17 0.10 0.00 -0.04 0.00 0.00 33.50 33.91 2dnf n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dnf n ALA 29 N -3.19 0.03 -3.78 0.55 0.00 -1.26 -4.82 120.51 108.03 2dnf n ALA 29 Ca -0.02 -1.50 -0.26 0.00 0.00 0.00 0.00 53.44 51.66 2dnf n ALA 29 Cb 0.06 0.22 -0.17 0.00 0.00 0.00 0.00 19.45 19.56 2dnf n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnf s SER 30 N -4.21 2.04 -0.34 0.00 0.15 -0.10 -4.91 113.70 106.33 2dnf s SER 30 Ca 0.52 -0.30 -0.29 0.00 0.70 0.00 0.00 55.95 56.58 2dnf s SER 30 Cb -0.03 -0.83 0.01 0.00 -1.71 0.00 0.00 66.02 63.46 2dnf s SER 30 CO 0.35 -0.08 1.30 -0.60 1.20 0.00 0.00 173.24 175.41 2dnf s ARG 31 N 1.41 3.84 0.00 5.44 3.52 -1.26 -2.21 118.95 129.70 2dnf s ARG 31 Ca -0.01 1.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.75 2dnf s ARG 31 Cb -0.13 -3.90 -0.01 0.00 -1.56 0.00 0.00 34.95 29.34 2dnf s ARG 31 CO -0.05 -1.22 -0.11 -1.17 -0.81 0.00 0.00 175.30 171.94 2dnf s LEU 32 N 4.56 2.06 -0.10 -0.88 2.96 -0.59 -5.00 118.68 121.68 2dnf s LEU 32 Ca 0.56 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2dnf s LEU 32 Cb -0.15 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 2dnf s LEU 32 CO 0.25 0.10 0.05 -0.22 -1.32 0.00 0.00 176.35 175.21 2dnf s LEU 33 N -0.50 3.87 -0.18 -0.68 2.96 -1.26 -1.22 118.68 121.68 2dnf s LEU 33 Ca 0.03 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2dnf s LEU 33 Cb -0.05 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.75 2dnf s LEU 33 CO -0.00 0.38 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.61 2dnf s ILE 34 N -0.89 1.93 0.38 6.68 1.01 -0.43 -4.95 121.20 124.93 2dnf s ILE 34 Ca 0.13 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 2dnf s ILE 34 Cb -0.12 -1.80 -0.09 0.00 0.01 0.00 0.00 42.46 40.47 2dnf s ILE 34 CO 0.03 0.44 1.20 -2.16 0.00 0.00 0.00 174.94 174.45 2dnf s PRO 35 N 1.33 4.12 0.13 2.79 0.04 -1.26 -2.67 135.00 139.48 2dnf s PRO 35 Ca 0.03 1.92 -0.31 0.00 0.04 0.00 0.00 61.00 62.68 2dnf s PRO 35 Cb -0.14 -2.77 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 2dnf s PRO 35 CO -0.11 -0.28 1.52 -0.09 0.04 0.00 0.00 177.00 178.07 2dnf h ARG 36 N 2.82 -0.26 -1.69 4.56 1.12 -1.83 0.73 114.38 119.83 2dnf h ARG 36 Ca -0.49 0.02 0.49 0.00 -1.11 0.00 0.00 59.98 58.89 2dnf h ARG 36 Cb 1.23 0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 31.19 2dnf h ARG 36 CO 0.63 -0.18 1.34 1.57 -3.11 0.00 0.00 179.97 180.22 2dnf h LYS 37 N -0.27 0.00 0.08 0.20 5.09 -1.93 0.70 116.57 120.43 2dnf h LYS 37 Ca 0.09 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.47 2dnf h LYS 37 Cb 0.52 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.82 2dnf h LYS 37 CO -0.66 0.00 -2.07 2.41 -2.09 0.00 0.00 179.45 177.03 2dnf n THR 38 N -3.77 1.68 -0.37 0.07 -1.04 0.21 -4.23 114.28 106.84 2dnf n THR 38 Ca 0.38 -0.57 0.28 0.00 -2.04 0.00 0.00 64.05 62.10 2dnf n THR 38 Cb 1.85 -1.69 0.56 0.00 -1.82 0.00 0.00 70.33 69.22 2dnf n THR 38 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2dnf h LEU 39 N -0.09 0.38 -0.71 -4.42 3.38 0.42 0.69 115.31 114.96 2dnf h LEU 39 Ca -0.47 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 2dnf h LEU 39 Cb 1.92 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 2dnf h LEU 39 CO -0.00 -0.05 0.05 -0.55 0.09 0.00 0.00 178.44 177.97 2dnf h ASN 40 N 0.26 1.01 -3.51 -0.43 7.08 -1.60 -3.33 115.58 115.06 2dnf h ASN 40 Ca 0.70 -0.26 -0.61 0.00 -3.08 0.00 0.00 56.30 53.05 2dnf h ASN 40 Cb 1.94 -0.27 -0.12 0.00 -2.08 0.00 0.00 38.32 37.79 2dnf h ASN 40 CO -0.40 1.03 0.09 -1.10 -2.08 0.00 0.00 177.43 174.98 2dnf s GLN 41 N -5.10 4.10 0.07 4.14 -0.21 0.24 -4.79 119.66 118.11 2dnf s GLN 41 Ca -0.11 0.47 -0.17 0.00 0.02 0.00 0.00 55.36 55.57 2dnf s GLN 41 Cb 0.14 -3.65 -0.12 0.00 1.00 0.00 0.00 33.01 30.38 2dnf s GLN 41 CO 0.85 -0.38 1.35 2.35 -2.12 0.00 0.00 175.29 177.34 2dnf h TRP 42 N 7.92 0.72 -0.53 0.91 -0.00 -1.80 -3.13 115.95 120.04 2dnf h TRP 42 Ca -0.28 -0.25 0.06 0.00 -0.00 0.00 0.00 58.89 58.42 2dnf h TRP 42 Cb 1.13 -0.14 -0.05 0.00 -0.00 0.00 0.00 29.16 30.10 2dnf h TRP 42 CO 0.75 0.98 0.24 0.22 -0.00 0.00 0.00 178.44 180.63 2dnf h ASP 43 N 0.26 0.32 -0.59 2.65 3.58 -1.92 -0.96 116.42 119.76 2dnf h ASP 43 Ca 0.02 0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.60 2dnf h ASP 43 Cb 0.91 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.92 2dnf h ASP 43 CO 0.07 0.21 0.39 0.45 -2.88 0.00 0.00 179.24 177.49 2dnf h HIS 44 N 0.46 0.47 0.56 0.28 3.86 -1.86 -2.27 115.15 116.66 2dnf h HIS 44 Ca 0.25 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 2dnf h HIS 44 Cb 0.20 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.52 2dnf h HIS 44 CO -0.12 0.24 -0.27 0.28 0.86 0.00 0.00 177.93 178.91 2dnf h VAL 45 N 0.46 0.12 -0.18 2.45 2.07 -1.14 -2.92 116.25 117.11 2dnf h VAL 45 Ca 0.27 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2dnf h VAL 45 Cb 0.46 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2dnf h VAL 45 CO -0.08 0.02 0.46 -0.07 0.02 0.00 0.00 177.57 177.93 2dnf h LEU 46 N -1.15 0.00 -0.20 2.57 4.07 -1.16 0.60 115.31 120.05 2dnf h LEU 46 Ca -0.08 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.67 2dnf h LEU 46 Cb 0.61 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 2dnf h LEU 46 CO 0.13 0.00 -0.94 -0.61 -1.08 0.00 0.00 178.44 175.94 2dnf h GLN 47 N 0.00 0.23 0.03 1.13 -0.00 -1.26 -2.90 115.11 112.34 2dnf h GLN 47 Ca 0.09 -0.27 -0.29 0.00 -0.00 0.00 0.00 58.65 58.18 2dnf h GLN 47 Cb 1.01 0.08 -0.04 0.00 0.00 0.00 0.00 27.48 28.54 2dnf h GLN 47 CO -0.00 1.01 -1.61 0.52 0.00 0.00 0.00 178.83 178.75 2dnf h MET 48 N 0.12 0.07 -0.40 1.69 2.86 0.24 -3.32 114.93 116.19 2dnf h MET 48 Ca -0.06 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 2dnf h MET 48 Cb 1.59 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.27 2dnf h MET 48 CO 0.15 0.74 -0.07 -0.24 1.06 0.00 0.00 176.91 178.54 2dnf h VAL 49 N 0.02 1.24 -0.14 -2.22 3.04 -0.84 -3.07 116.25 114.28 2dnf h VAL 49 Ca -0.25 -1.05 -0.02 0.00 -1.01 0.00 0.00 66.70 64.37 2dnf h VAL 49 Cb 1.98 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 32.27 2dnf h VAL 49 CO 0.10 0.36 0.03 0.74 -1.01 0.00 0.00 177.57 177.78 2dnf h THR 50 N 0.63 1.21 -0.82 3.17 2.02 -1.64 0.39 112.91 117.87 2dnf h THR 50 Ca 0.12 -0.67 0.24 0.00 0.77 0.00 0.00 66.41 66.86 2dnf h THR 50 Cb 0.50 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 2dnf h THR 50 CO 0.03 0.20 0.71 -0.33 0.37 0.00 0.00 175.52 176.50 2dnf h GLU 51 N 0.01 0.00 0.02 6.66 5.08 -1.63 -0.23 114.58 124.49 2dnf h GLU 51 Ca 0.04 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.03 2dnf h GLU 51 Cb 0.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2dnf h GLU 51 CO 0.00 0.00 -2.35 1.63 -1.00 0.00 0.00 179.01 177.30 2dnf n LYS 52 N -3.88 0.67 -3.94 2.33 4.76 -0.99 -4.79 118.16 112.32 2dnf n LYS 52 Ca 0.17 0.14 -0.32 0.00 -2.87 0.00 0.00 58.31 55.44 2dnf n LYS 52 Cb 1.00 -1.56 -0.14 0.00 -1.84 0.00 0.00 35.03 32.49 2dnf n LYS 52 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dnf s ILE 53 N -2.52 2.64 -0.52 -0.18 -1.09 0.13 -4.97 121.20 114.69 2dnf s ILE 53 Ca -0.26 -2.77 -0.24 0.00 -2.23 0.00 0.00 60.65 55.14 2dnf s ILE 53 Cb 0.08 -2.86 0.04 0.00 -1.58 0.00 0.00 42.46 38.14 2dnf s ILE 53 CO 0.68 -0.72 0.93 -0.89 -1.23 0.00 0.00 174.94 173.72 2dnf s THR 54 N 0.35 4.42 0.68 2.92 2.01 -1.13 -4.29 115.64 120.59 2dnf s THR 54 Ca 0.14 0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.45 2dnf s THR 54 Cb -0.22 -4.51 0.03 0.00 0.01 0.00 0.00 72.50 67.81 2dnf s THR 54 CO -0.04 -1.03 1.03 -0.76 -0.69 0.00 0.00 174.62 173.13 2dnf s LEU 55 N 3.88 2.94 0.49 4.42 1.02 -1.26 -4.89 118.68 125.28 2dnf s LEU 55 Ca 0.32 0.83 0.24 0.00 0.02 0.00 0.00 54.13 55.55 2dnf s LEU 55 Cb -0.12 -3.58 1.30 0.00 0.02 0.00 0.00 46.19 43.82 2dnf s LEU 55 CO 0.21 -1.37 1.91 -0.09 0.02 0.00 0.00 176.35 177.03 2dnf h ARG 56 N -0.54 0.15 -0.01 1.70 2.43 -1.95 0.31 114.38 116.49 2dnf h ARG 56 Ca -0.45 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.56 2dnf h ARG 56 Cb 1.27 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2dnf h ARG 56 CO 0.62 0.10 -0.71 1.03 -1.51 0.00 0.00 179.97 179.50 2dnf h SER 57 N 0.16 0.05 0.00 -3.80 0.87 -2.01 -3.47 113.55 105.35 2dnf h SER 57 Ca 0.39 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2dnf h SER 57 Cb 1.30 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2dnf h SER 57 CO -0.07 0.75 0.00 0.61 -0.53 0.00 0.00 176.83 177.59 2dnf n GLY 58 N 0.51 1.24 3.52 5.77 0.00 0.11 -5.06 105.19 111.28 2dnf n GLY 58 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2dnf n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnf s ALA 59 N -2.13 -1.74 0.35 4.61 0.00 -1.26 -4.68 121.76 116.92 2dnf s ALA 59 Ca 0.00 1.32 -0.09 0.00 0.00 0.00 0.00 51.96 53.19 2dnf s ALA 59 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 2dnf s ALA 59 CO 0.00 -0.36 0.69 0.08 0.00 0.00 0.00 175.76 176.17 2dnf s VAL 60 N -1.12 4.86 0.00 0.00 1.01 -1.26 -4.63 120.40 119.26 2dnf s VAL 60 Ca -0.11 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2dnf s VAL 60 Cb -0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2dnf s VAL 60 CO 0.09 -0.41 0.00 1.41 0.00 0.00 0.00 175.10 176.20 2dnf n HIS 61 N -1.04 0.00 -4.07 5.22 8.25 -1.11 -4.91 115.22 117.56 2dnf n HIS 61 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 2dnf n HIS 61 Cb 0.54 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 2dnf n HIS 61 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dnf s ARG 62 N -1.53 0.54 0.29 -0.41 0.52 0.52 -5.03 118.95 113.86 2dnf s ARG 62 Ca 0.00 -1.00 0.10 0.00 -0.52 0.00 0.00 55.73 54.32 2dnf s ARG 62 Cb 0.00 0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 2dnf s ARG 62 CO 0.00 -0.06 -0.05 -0.51 0.02 0.00 0.00 175.30 174.70 2dnf s LEU 63 N -2.33 2.98 -0.14 2.53 2.01 -1.26 -0.01 118.68 122.45 2dnf s LEU 63 Ca -0.01 -0.84 -0.17 0.00 0.01 0.00 0.00 54.13 53.11 2dnf s LEU 63 Cb -0.00 -1.46 0.04 0.00 0.01 0.00 0.00 46.19 44.79 2dnf s LEU 63 CO -0.05 -0.05 0.46 -0.31 1.01 0.00 0.00 176.35 177.41 2dnf s TYR 64 N -2.43 -0.48 0.89 0.29 1.51 0.80 -2.83 117.35 115.09 2dnf s TYR 64 Ca 0.32 1.11 -0.12 0.00 -1.01 0.00 0.00 57.07 57.37 2dnf s TYR 64 Cb -0.04 0.18 0.20 0.00 -0.11 0.00 0.00 41.96 42.19 2dnf s TYR 64 CO 0.18 -0.30 1.21 0.25 -1.11 0.00 0.00 175.55 175.79 2dnf n THR 65 N 2.47 0.00 0.72 -0.71 -2.24 0.10 0.98 114.28 115.60 2dnf n THR 65 Ca -0.15 -1.09 0.12 0.00 -2.27 0.00 0.00 64.05 60.67 2dnf n THR 65 Cb 0.57 -1.37 0.28 0.00 -2.10 0.00 0.00 70.33 67.70 2dnf n THR 65 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2dnf n LEU 66 N 0.00 0.60 0.08 3.22 4.77 -1.26 -3.53 117.00 120.87 2dnf n LEU 66 Ca 0.16 0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.53 2dnf n LEU 66 Cb 0.56 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2dnf n LEU 66 CO 0.40 -0.03 0.21 1.05 -1.33 0.00 0.00 177.39 177.69 2dnf h GLU 67 N 0.00 0.00 0.00 3.23 4.11 -1.94 -3.44 114.58 116.54 2dnf h GLU 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2dnf h GLU 67 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dnf h GLU 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 2dnf n GLY 68 N 1.27 1.86 3.72 1.06 0.00 -1.23 -5.13 105.19 106.74 2dnf n GLY 68 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2dnf n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dnf s LYS 69 N -0.43 2.45 0.03 1.61 2.20 -1.26 -4.92 119.74 119.43 2dnf s LYS 69 Ca 0.00 -1.41 0.08 0.00 -0.36 0.00 0.00 55.97 54.28 2dnf s LYS 69 Cb 0.00 -2.25 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 2dnf s LYS 69 CO 0.00 0.25 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.85 2dnf s LEU 70 N -3.79 2.15 -0.11 5.43 0.20 -1.26 0.00 118.68 121.29 2dnf s LEU 70 Ca 0.35 -0.52 -0.03 0.00 0.69 0.00 0.00 54.13 54.63 2dnf s LEU 70 Cb -0.05 -1.05 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 2dnf s LEU 70 CO 0.22 0.19 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.77 2dnf s VAL 71 N -0.76 4.17 -0.56 1.68 1.01 -1.13 -4.98 120.40 119.83 2dnf s VAL 71 Ca 0.08 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2dnf s VAL 71 Cb -0.09 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.60 2dnf s VAL 71 CO 0.01 0.56 0.86 -0.62 0.00 0.00 0.00 175.10 175.91 2dnf n GLU 72 N 2.68 1.09 -3.52 2.72 1.02 -1.26 -4.20 120.64 119.15 2dnf n GLU 72 Ca -0.18 -1.21 -0.00 0.00 -0.02 0.00 0.00 57.16 55.74 2dnf n GLU 72 Cb 0.53 -1.11 0.01 0.00 -0.02 0.00 0.00 31.44 30.85 2dnf n GLU 72 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dnf n SER 73 N 0.16 -1.23 -0.39 1.62 2.88 -1.26 -4.98 113.62 110.42 2dnf n SER 73 Ca 0.04 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 2dnf n SER 73 Cb 0.22 1.97 0.00 0.00 -0.75 0.00 0.00 64.21 65.64 2dnf n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnf n GLY 74 N -0.67 0.96 0.10 0.46 0.00 -1.25 -3.46 105.19 101.32 2dnf n GLY 74 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2dnf n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnf h ALA 75 N 2.21 0.61 0.00 4.61 0.00 -1.94 -3.33 119.26 121.42 2dnf h ALA 75 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 54.91 53.84 2dnf h ALA 75 Cb 0.39 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2dnf h ALA 75 CO 0.00 0.99 -1.55 0.93 0.00 0.00 0.00 179.25 179.62 2dnf h GLU 76 N 0.00 0.00 -6.18 0.00 5.08 -1.97 -3.47 114.58 108.04 2dnf h GLU 76 Ca -0.09 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.54 2dnf h GLU 76 Cb 1.62 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.91 2dnf h GLU 76 CO 0.08 0.49 0.47 1.28 -1.00 0.00 0.00 179.01 180.33 2dnf n LEU 77 N -3.04 1.43 -4.82 1.33 4.77 -1.25 -4.96 117.00 110.45 2dnf n LEU 77 Ca -0.13 1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 56.74 2dnf n LEU 77 Cb 0.99 -1.11 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 2dnf n LEU 77 CO 0.45 -1.09 -0.06 -0.70 -1.33 0.00 0.00 177.39 174.66 2dnf s GLU 78 N 1.11 2.36 -0.48 3.23 2.12 -1.26 -5.08 118.70 120.70 2dnf s GLU 78 Ca 0.90 -1.74 -0.12 0.00 0.36 0.00 0.00 54.97 54.36 2dnf s GLU 78 Cb -1.07 -2.17 0.10 0.00 0.26 0.00 0.00 34.13 31.26 2dnf s GLU 78 CO 0.54 -0.22 0.38 1.21 -0.54 0.00 0.00 175.26 176.63 2dnf s ASN 79 N -4.05 5.90 0.00 -1.70 2.47 -1.26 -4.28 114.94 112.02 2dnf s ASN 79 Ca 0.43 -1.68 0.00 0.00 0.42 0.00 0.00 52.86 52.03 2dnf s ASN 79 Cb -0.00 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 2dnf s ASN 79 CO 0.25 -0.70 0.00 0.61 -3.72 0.00 0.00 177.10 173.54 2dnf n GLY 80 N 5.06 0.80 3.98 1.21 0.00 0.38 -4.98 105.19 111.64 2dnf n GLY 80 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2dnf n GLY 80 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dnf s GLN 81 N -0.88 2.40 -0.11 1.61 2.00 -1.26 -4.85 119.66 118.57 2dnf s GLN 81 Ca 0.00 -0.93 -0.00 0.00 -2.00 0.00 0.00 55.36 52.43 2dnf s GLN 81 Cb 0.00 -2.49 -0.02 0.00 0.80 0.00 0.00 33.01 31.29 2dnf s GLN 81 CO 0.00 -0.81 -0.09 -0.06 -0.50 0.00 0.00 175.29 173.83 2dnf s PHE 82 N -2.79 2.88 -0.06 1.67 0.40 -1.26 -1.01 117.98 117.81 2dnf s PHE 82 Ca 0.59 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 2dnf s PHE 82 Cb -0.09 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.65 2dnf s PHE 82 CO 0.39 0.03 -0.06 0.71 0.70 0.00 0.00 175.22 176.99 2dnf s TYR 83 N -0.10 0.96 0.08 0.36 2.02 0.75 -4.37 117.35 117.05 2dnf s TYR 83 Ca -0.00 -0.33 -0.27 0.00 -0.37 0.00 0.00 57.07 56.10 2dnf s TYR 83 Cb -0.13 -0.83 -0.06 0.00 -0.40 0.00 0.00 41.96 40.54 2dnf s TYR 83 CO 0.03 -0.27 0.83 0.08 -1.57 0.00 0.00 175.55 174.66 2dnf s VAL 84 N 1.12 4.63 -0.19 0.71 1.01 0.28 -2.16 120.40 125.79 2dnf s VAL 84 Ca -0.07 1.78 -0.16 0.00 0.00 0.00 0.00 61.98 63.53 2dnf s VAL 84 Cb -0.14 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2dnf s VAL 84 CO -0.01 0.36 0.39 0.00 0.00 0.00 0.00 175.10 175.84 2dnf s ALA 85 N -0.12 3.55 -0.10 5.51 0.00 0.38 -0.14 121.76 130.84 2dnf s ALA 85 Ca 0.41 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.93 2dnf s ALA 85 Cb -0.22 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.31 2dnf s ALA 85 CO 0.25 -0.21 -0.20 0.08 0.00 0.00 0.00 175.76 175.68 2dnf s VAL 86 N 1.12 1.76 0.00 0.00 1.01 0.98 -2.18 120.40 123.09 2dnf s VAL 86 Ca 0.19 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2dnf s VAL 86 Cb -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2dnf s VAL 86 CO 0.08 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2dnf n GLY 87 N 3.73 0.65 0.17 4.51 0.00 -1.26 -0.35 105.19 112.65 2dnf n GLY 87 Ca -0.20 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.24 2dnf n GLY 87 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dnf h ARG 88 N 0.00 0.00 -7.51 1.61 2.47 -1.94 -3.42 114.38 105.60 2dnf h ARG 88 Ca 0.00 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.26 2dnf h ARG 88 Cb 0.00 0.00 0.10 0.00 -1.65 0.00 0.00 29.97 28.42 2dnf h ARG 88 CO 0.00 0.00 0.33 0.34 0.56 0.00 0.00 179.97 181.20 2dnf s ASP 89 N -3.69 4.42 0.81 7.04 2.15 -1.26 -5.07 116.67 121.08 2dnf s ASP 89 Ca -0.02 0.54 -0.12 0.00 0.43 0.00 0.00 52.55 53.38 2dnf s ASP 89 Cb 0.05 -1.03 0.08 0.00 -0.30 0.00 0.00 42.92 41.72 2dnf s ASP 89 CO 0.16 -1.90 1.12 -0.54 -0.17 0.00 0.00 175.17 173.84 2dnf s LYS 90 N -5.48 1.95 -0.26 4.34 3.01 -1.26 -4.98 119.74 117.06 2dnf s LYS 90 Ca 0.63 0.42 -0.22 0.00 -1.01 0.00 0.00 55.97 55.79 2dnf s LYS 90 Cb -0.10 -1.92 -0.01 0.00 -1.01 0.00 0.00 37.83 34.79 2dnf s LYS 90 CO 0.48 -1.66 0.73 0.12 0.51 0.00 0.00 175.35 175.52 2dnf s PHE 91 N -3.30 3.27 -0.94 3.18 5.36 -1.26 -4.87 117.98 119.42 2dnf s PHE 91 Ca 0.61 0.91 -0.23 0.00 -0.96 0.00 0.00 56.93 57.27 2dnf s PHE 91 Cb -0.13 -2.99 0.06 0.00 -0.34 0.00 0.00 43.02 39.62 2dnf s PHE 91 CO 0.53 -0.40 1.33 0.15 -1.46 0.00 0.00 175.22 175.37 2dnf s LYS 92 N 2.71 3.50 -0.86 10.12 1.02 -1.26 -4.93 119.74 130.05 2dnf s LYS 92 Ca 0.30 -1.10 -0.22 0.00 0.02 0.00 0.00 55.97 54.98 2dnf s LYS 92 Cb -0.15 -5.03 -0.21 0.00 -0.52 0.00 0.00 37.83 31.91 2dnf s LYS 92 CO 0.09 -2.09 2.40 1.17 -0.92 0.00 0.00 175.35 175.99 2dnf n LYS 93 N 8.44 0.32 -4.19 1.68 0.00 -1.26 -4.70 118.16 118.45 2dnf n LYS 93 Ca 0.25 -0.21 -0.18 0.00 0.00 0.00 0.00 58.31 58.16 2dnf n LYS 93 Cb 0.50 -2.21 -0.12 0.00 0.00 0.00 0.00 35.03 33.20 2dnf n LYS 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dnf s LEU 94 N 8.00 2.30 -0.50 3.14 1.43 -1.26 -5.10 118.68 126.70 2dnf s LEU 94 Ca 1.18 -0.65 -0.27 0.00 -1.03 0.00 0.00 54.13 53.35 2dnf s LEU 94 Cb -0.66 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 2dnf s LEU 94 CO 0.38 -0.08 1.80 -2.16 0.23 0.00 0.00 176.35 176.51 2dnf s PRO 95 N -1.90 2.95 -0.23 1.29 0.04 -1.26 -4.81 135.00 131.09 2dnf s PRO 95 Ca 0.00 0.91 0.07 0.00 0.04 0.00 0.00 61.00 62.03 2dnf s PRO 95 Cb -0.09 -4.29 -0.20 0.00 0.04 0.00 0.00 34.50 29.96 2dnf s PRO 95 CO 0.02 -2.33 -0.07 0.66 0.04 0.00 0.00 177.00 175.32 2dnf n TYR 96 N 11.56 0.09 0.21 0.56 4.01 -1.26 -4.27 117.16 128.05 2dnf n TYR 96 Ca 0.21 0.02 0.12 0.00 -0.16 0.00 0.00 57.90 58.09 2dnf n TYR 96 Cb 0.50 -1.01 0.63 0.00 -0.31 0.00 0.00 39.34 39.15 2dnf n TYR 96 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2dnf h GLY 97 N 2.69 0.00 1.26 2.72 0.00 -1.88 -0.13 103.07 107.72 2dnf h GLY 97 Ca -0.55 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.46 2dnf h GLY 97 CO -0.04 0.00 -1.51 0.83 0.00 0.00 0.00 176.54 175.82 2dnf h GLU 98 N 0.00 0.31 0.00 4.80 4.39 -1.89 -3.29 114.58 118.90 2dnf h GLU 98 Ca 0.00 -0.53 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 2dnf h GLU 98 Cb 0.26 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2dnf h GLU 98 CO 0.00 1.20 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.91 2dnf h LEU 99 N 0.08 0.00 0.65 1.33 3.38 -1.22 -3.12 115.31 116.42 2dnf h LEU 99 Ca -0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2dnf h LEU 99 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.80 2dnf h LEU 99 CO 0.19 0.07 -0.31 -0.07 0.09 0.00 0.00 178.44 178.41 2dnf h LEU 100 N 0.00 -0.74 -7.61 1.67 3.38 -1.60 -3.41 115.31 107.00 2dnf h LEU 100 Ca -0.00 0.03 -0.65 0.00 0.09 0.00 0.00 57.88 57.34 2dnf h LEU 100 Cb 0.31 0.19 -0.40 0.00 0.09 0.00 0.00 40.66 40.85 2dnf h LEU 100 CO 0.01 -0.36 -0.71 -0.36 0.09 0.00 0.00 178.44 177.11 2dnf s PHE 101 N -4.40 3.55 0.65 1.13 0.08 -1.18 -5.10 117.98 112.70 2dnf s PHE 101 Ca -0.13 -2.95 -0.15 0.00 0.12 0.00 0.00 56.93 53.82 2dnf s PHE 101 Cb 0.01 -2.83 -0.13 0.00 -0.57 0.00 0.00 43.02 39.50 2dnf s PHE 101 CO 0.38 -0.91 -0.40 -3.47 -0.10 0.00 0.00 175.22 170.72 2dnf n ASP 102 N 4.11 -4.20 -0.08 1.36 2.03 -1.23 -4.85 116.55 113.70 2dnf n ASP 102 Ca 0.04 0.37 -0.15 0.00 0.52 0.00 0.00 54.79 55.56 2dnf n ASP 102 Cb 0.41 -0.70 -0.06 0.00 -0.72 0.00 0.00 41.12 40.04 2dnf n ASP 102 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2dnf n SER 103 N 2.59 1.71 -3.59 1.67 2.88 -1.26 -5.08 113.62 112.55 2dnf n SER 103 Ca 0.03 0.11 -0.14 0.00 -1.33 0.00 0.00 58.87 57.53 2dnf n SER 103 Cb 0.45 -0.41 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 2dnf n SER 103 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnf s GLY 104 N -5.37 -0.45 0.42 0.46 0.00 -1.26 -5.03 107.32 96.10 2dnf s GLY 104 Ca -0.22 1.89 0.29 0.00 0.00 0.00 0.00 44.72 46.68 2dnf s GLY 104 CO 0.31 1.38 1.87 -0.56 0.00 0.00 0.00 173.10 176.10 2dnf h PRO 105 N 3.80 0.00 -0.74 2.90 0.13 -1.99 -3.26 132.00 132.83 2dnf h PRO 105 Ca -0.27 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.01 2dnf h PRO 105 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 2dnf h PRO 105 CO 0.22 0.00 -0.25 0.77 -0.23 0.00 0.00 178.00 178.51 2dnf h SER 106 N 0.00 -0.90 0.03 1.44 0.02 -2.06 -2.63 113.55 109.45 2dnf h SER 106 Ca 0.00 0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2dnf h SER 106 Cb 0.43 0.53 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2dnf h SER 106 CO 0.00 -0.27 -0.62 0.77 -1.14 0.00 0.00 176.83 175.57 2dnf h SER 107 N -0.05 0.10 0.00 3.07 4.64 -2.02 -3.56 113.55 115.74 2dnf h SER 107 Ca 0.33 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2dnf h SER 107 Cb 0.57 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2dnf h SER 107 CO -0.78 1.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.05