#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnf s SER 2 N 0.00 3.92 0.02 1.61 0.01 -1.26 -5.11 113.70 112.90 2dnf s SER 2 Ca 0.00 -1.61 -0.27 0.00 1.31 0.00 0.00 55.95 55.38 2dnf s SER 2 Cb 0.00 -0.77 0.07 0.00 0.21 0.00 0.00 66.02 65.53 2dnf s SER 2 CO 0.00 -0.41 0.63 -0.55 0.41 0.00 0.00 173.24 173.31 2dnf s SER 3 N 1.66 -0.59 -0.00 2.44 0.15 -1.26 -5.04 113.70 111.06 2dnf s SER 3 Ca 0.10 0.43 -0.04 0.00 0.70 0.00 0.00 55.95 57.14 2dnf s SER 3 Cb -0.17 0.55 -0.16 0.00 -1.71 0.00 0.00 66.02 64.53 2dnf s SER 3 CO -0.26 -0.72 2.95 0.61 1.20 0.00 0.00 173.24 177.01 2dnf n GLY 4 N 0.48 2.80 3.64 9.45 0.00 -1.26 -4.89 105.19 115.42 2dnf n GLY 4 Ca -0.18 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2dnf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnf s SER 5 N 1.99 6.83 0.74 1.61 1.04 -1.26 -5.02 113.70 119.63 2dnf s SER 5 Ca 0.39 1.26 -0.06 0.00 0.48 0.00 0.00 55.95 58.02 2dnf s SER 5 Cb 0.19 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.88 2dnf s SER 5 CO -0.00 -0.93 1.04 -0.94 0.98 0.00 0.00 173.24 173.39 2dnf s SER 6 N 2.18 4.37 0.00 7.02 1.04 -1.26 -5.00 113.70 122.04 2dnf s SER 6 Ca 0.52 0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dnf s SER 6 Cb -0.16 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.42 2dnf s SER 6 CO 0.18 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.15 2dnf n GLY 7 N -2.99 -0.35 3.43 7.32 0.00 -1.26 -5.05 105.19 106.28 2dnf n GLY 7 Ca 0.12 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 2dnf n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dnf s ARG 8 N -4.18 1.81 -0.01 1.61 3.52 -1.26 -5.13 118.95 115.31 2dnf s ARG 8 Ca 0.00 -1.13 -0.09 0.00 -0.13 0.00 0.00 55.73 54.37 2dnf s ARG 8 Cb 0.00 -2.07 -0.05 0.00 -1.56 0.00 0.00 34.95 31.27 2dnf s ARG 8 CO 0.00 0.50 0.30 -1.59 -0.81 0.00 0.00 175.30 173.70 2dnf s LYS 9 N -1.69 3.67 0.00 5.12 -2.85 -1.26 -5.10 119.74 117.63 2dnf s LYS 9 Ca 0.15 0.09 0.00 0.00 -1.00 0.00 0.00 55.97 55.20 2dnf s LYS 9 Cb -0.10 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.54 2dnf s LYS 9 CO 0.06 0.67 0.00 -0.35 0.10 0.00 0.00 175.35 175.83 2dnf n PRO 10 N 1.46 -0.38 -2.68 1.78 -0.04 -1.26 -4.99 135.00 128.89 2dnf n PRO 10 Ca -0.13 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 2dnf n PRO 10 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 2dnf n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dnf s LEU 11 N 0.00 4.59 -0.37 1.53 1.43 -1.26 -5.03 118.68 119.57 2dnf s LEU 11 Ca 0.00 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 2dnf s LEU 11 Cb 0.00 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.72 2dnf s LEU 11 CO 0.00 0.04 0.13 -1.10 0.23 0.00 0.00 176.35 175.65 2dnf s GLN 12 N -0.94 1.16 0.40 1.70 1.11 -1.26 -5.11 119.66 116.72 2dnf s GLN 12 Ca 0.43 -1.64 -0.26 0.00 0.01 0.00 0.00 55.36 53.90 2dnf s GLN 12 Cb -0.27 -2.49 -0.09 0.00 -1.01 0.00 0.00 33.01 29.15 2dnf s GLN 12 CO 0.33 -1.03 1.23 -2.00 0.01 0.00 0.00 175.29 173.83 2dnf s GLU 13 N 0.96 4.02 1.15 2.91 2.12 -1.26 -4.61 118.70 123.99 2dnf s GLU 13 Ca 0.13 1.99 -0.17 0.00 0.36 0.00 0.00 54.97 57.27 2dnf s GLU 13 Cb -0.20 -2.73 0.26 0.00 0.26 0.00 0.00 34.13 31.72 2dnf s GLU 13 CO -0.12 -0.39 1.10 -1.25 -0.54 0.00 0.00 175.26 174.06 2dnf s PRO 14 N -2.25 -0.80 -0.00 4.30 0.04 -1.26 -4.70 135.00 130.33 2dnf s PRO 14 Ca 0.57 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.71 2dnf s PRO 14 Cb -0.34 -1.63 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 2dnf s PRO 14 CO 0.43 -3.46 -0.03 0.00 0.04 0.00 0.00 177.00 173.98 2dnf s THR 16 N -0.04 4.70 0.11 0.00 2.01 -1.26 -1.03 115.64 120.14 2dnf s THR 16 Ca 0.01 -0.40 0.09 0.00 0.31 0.00 0.00 61.69 61.70 2dnf s THR 16 Cb -0.02 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2dnf s THR 16 CO -0.00 0.05 -0.21 0.27 -0.69 0.00 0.00 174.62 174.04 2dnf s ILE 17 N 1.63 1.79 0.11 1.82 -4.36 -1.07 -1.79 121.20 119.33 2dnf s ILE 17 Ca 0.05 -1.62 -0.07 0.00 -0.26 0.00 0.00 60.65 58.74 2dnf s ILE 17 Cb -0.17 -1.65 -0.06 0.00 1.25 0.00 0.00 42.46 41.83 2dnf s ILE 17 CO 0.07 -0.08 0.38 -0.36 0.24 0.00 0.00 174.94 175.19 2dnf s PHE 18 N -1.28 3.52 -0.07 1.37 0.40 -0.82 -1.02 117.98 120.08 2dnf s PHE 18 Ca 0.09 0.65 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 2dnf s PHE 18 Cb -0.09 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.37 2dnf s PHE 18 CO 0.05 0.47 -0.18 -0.51 0.70 0.00 0.00 175.22 175.75 2dnf s LEU 19 N -2.34 1.87 -0.01 -0.37 2.01 -0.60 -1.67 118.68 117.57 2dnf s LEU 19 Ca 0.37 -0.41 0.07 0.00 0.01 0.00 0.00 54.13 54.17 2dnf s LEU 19 Cb -0.13 -1.09 -0.02 0.00 0.01 0.00 0.00 46.19 44.97 2dnf s LEU 19 CO 0.21 0.11 -0.22 -0.63 1.01 0.00 0.00 176.35 176.84 2dnf s ILE 20 N 0.40 1.72 0.15 -0.59 1.01 -1.02 -0.64 121.20 122.23 2dnf s ILE 20 Ca -0.14 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 59.22 2dnf s ILE 20 Cb -0.16 -1.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 2dnf s ILE 20 CO 0.05 0.44 1.41 0.00 0.00 0.00 0.00 174.94 176.85 2dnf s ALA 21 N -0.56 3.61 0.24 9.38 0.00 -1.26 -0.07 121.76 133.10 2dnf s ALA 21 Ca 0.08 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 52.91 2dnf s ALA 21 Cb -0.08 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.36 2dnf s ALA 21 CO -0.00 -0.64 1.54 -1.71 0.00 0.00 0.00 175.76 174.95 2dnf n ASN 22 N 3.62 3.35 -1.54 0.00 5.15 -1.20 -1.60 115.26 123.03 2dnf n ASN 22 Ca 0.11 1.12 -0.14 0.00 -0.60 0.00 0.00 54.58 55.07 2dnf n ASN 22 Cb 0.42 -1.50 -0.01 0.00 -0.53 0.00 0.00 39.78 38.15 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 2.61 -0.02 3.22 8.20 0.00 -1.26 -5.00 105.19 112.93 2dnf n GLY 23 Ca 0.12 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.42 3.20 0.00 1.61 2.15 -0.63 -4.96 116.67 115.62 2dnf s ASP 24 Ca 0.00 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.43 2dnf s ASP 24 Cb 0.00 -1.45 0.00 0.00 -0.30 0.00 0.00 42.92 41.17 2dnf s ASP 24 CO 0.00 0.13 0.36 0.18 -0.17 0.00 0.00 175.17 175.67 2dnf n LEU 25 N 3.72 0.37 -0.09 -1.34 4.77 -1.26 -4.80 117.00 118.37 2dnf n LEU 25 Ca -0.19 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.29 2dnf n LEU 25 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 2dnf n LEU 25 CO 0.28 0.09 -1.09 -0.38 -1.33 0.00 0.00 177.39 174.96 2dnf n ILE 26 N -0.06 1.48 -4.05 -0.08 2.08 -1.26 -4.95 119.36 112.52 2dnf n ILE 26 Ca 0.00 -0.76 -0.32 0.00 0.56 0.00 0.00 62.75 62.23 2dnf n ILE 26 Cb 0.31 -0.90 -0.06 0.00 -0.75 0.00 0.00 39.64 38.23 2dnf n ILE 26 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 2dnf s ASN 27 N -5.98 5.75 0.65 4.38 0.02 -1.26 -5.12 114.94 113.37 2dnf s ASN 27 Ca -0.17 0.12 0.00 0.00 -1.02 0.00 0.00 52.86 51.79 2dnf s ASN 27 Cb 0.07 -1.64 0.00 0.00 0.02 0.00 0.00 41.25 39.70 2dnf s ASN 27 CO 0.76 0.22 0.00 -0.81 0.02 0.00 0.00 177.10 177.30 2dnf n PRO 28 N 0.80 -0.30 -1.86 -0.60 -0.04 -1.26 -4.93 135.00 126.80 2dnf n PRO 28 Ca -0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 2dnf n PRO 28 Cb 0.52 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.04 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 -3.00 0.27 -3.68 0.55 0.00 -1.26 -4.76 120.51 108.63 2dnf n ALA 29 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 53.44 51.98 2dnf n ALA 29 Cb 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 19.45 19.52 2dnf n ALA 29 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dnf s SER 30 N -3.31 3.61 -0.51 0.00 1.04 0.19 -4.88 113.70 109.84 2dnf s SER 30 Ca 0.38 -1.34 -0.27 0.00 0.48 0.00 0.00 55.95 55.20 2dnf s SER 30 Cb -0.02 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.42 2dnf s SER 30 CO 0.25 -0.40 1.94 -0.60 0.98 0.00 0.00 173.24 175.41 2dnf s ARG 31 N 1.82 2.74 -0.12 4.02 3.52 -1.26 -1.56 118.95 128.11 2dnf s ARG 31 Ca 0.07 1.00 0.01 0.00 -0.13 0.00 0.00 55.73 56.68 2dnf s ARG 31 Cb -0.17 -4.37 0.02 0.00 -1.56 0.00 0.00 34.95 28.87 2dnf s ARG 31 CO -0.25 -2.57 -0.14 -1.17 -0.81 0.00 0.00 175.30 170.36 2dnf s LEU 32 N 8.99 1.65 0.34 -0.88 2.96 -0.19 -4.98 118.68 126.57 2dnf s LEU 32 Ca 0.76 -0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 54.05 2dnf s LEU 32 Cb -0.16 -1.08 -0.10 0.00 0.50 0.00 0.00 46.19 45.35 2dnf s LEU 32 CO 0.25 -0.02 0.84 -0.22 -1.32 0.00 0.00 176.35 175.89 2dnf s LEU 33 N 1.20 4.12 -0.10 -0.68 2.96 -1.26 -2.59 118.68 122.33 2dnf s LEU 33 Ca -0.02 1.54 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 2dnf s LEU 33 Cb -0.14 -4.14 0.01 0.00 0.50 0.00 0.00 46.19 42.42 2dnf s LEU 33 CO -0.05 -0.19 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.00 2dnf s ILE 34 N -1.90 1.53 0.20 6.68 1.01 -0.20 -4.97 121.20 123.55 2dnf s ILE 34 Ca 0.54 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2dnf s ILE 34 Cb -0.12 -1.39 -0.09 0.00 0.01 0.00 0.00 42.46 40.87 2dnf s ILE 34 CO 0.18 0.45 1.30 -2.16 0.00 0.00 0.00 174.94 174.70 2dnf s PRO 35 N 0.88 4.39 0.55 2.79 0.04 -1.26 -2.90 135.00 139.49 2dnf s PRO 35 Ca -0.09 2.05 0.39 0.00 0.04 0.00 0.00 61.00 63.39 2dnf s PRO 35 Cb -0.15 -3.19 1.59 0.00 0.04 0.00 0.00 34.50 32.78 2dnf s PRO 35 CO 0.00 -0.24 1.76 0.07 0.04 0.00 0.00 177.00 178.63 2dnf h ARG 36 N 5.31 0.00 -0.50 4.56 -0.00 -1.84 0.83 114.38 122.74 2dnf h ARG 36 Ca -0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.48 2dnf h ARG 36 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.16 2dnf h ARG 36 CO 0.77 0.00 0.11 1.57 -0.00 0.00 0.00 179.97 182.41 2dnf h LYS 37 N 0.00 0.76 0.06 0.08 5.09 -1.92 -2.88 116.57 117.76 2dnf h LYS 37 Ca 0.63 -0.15 -0.27 0.00 0.09 0.00 0.00 60.65 60.95 2dnf h LYS 37 Cb 2.55 -0.11 -0.02 0.00 0.10 0.00 0.00 32.23 34.74 2dnf h LYS 37 CO -0.01 0.70 -1.38 1.15 -2.09 0.00 0.00 179.45 177.82 2dnf h THR 38 N 0.73 1.29 -1.09 0.07 2.02 0.29 -3.32 112.91 112.91 2dnf h THR 38 Ca 0.16 -2.99 0.30 0.00 0.77 0.00 0.00 66.41 64.65 2dnf h THR 38 Cb 0.29 2.74 -0.08 0.00 -1.74 0.00 0.00 68.15 69.36 2dnf h THR 38 CO 0.00 0.81 0.74 -0.07 0.37 0.00 0.00 175.52 177.37 2dnf h LEU 39 N 0.03 0.27 -1.33 2.58 3.38 -1.03 0.71 115.31 119.92 2dnf h LEU 39 Ca -0.17 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2dnf h LEU 39 Cb 1.94 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 2dnf h LEU 39 CO 0.14 0.04 -0.14 0.78 0.09 0.00 0.00 178.44 179.35 2dnf h ASN 40 N 0.23 0.27 -3.62 -0.43 2.35 -1.65 -3.40 115.58 109.33 2dnf h ASN 40 Ca 0.59 -0.06 -0.70 0.00 -0.55 0.00 0.00 56.30 55.58 2dnf h ASN 40 Cb 1.81 -0.07 -0.26 0.00 0.05 0.00 0.00 38.32 39.85 2dnf h ASN 40 CO -0.19 0.43 -0.56 -1.10 -1.65 0.00 0.00 177.43 174.36 2dnf s GLN 41 N -4.71 2.85 0.15 0.81 -1.52 0.25 -4.97 119.66 112.52 2dnf s GLN 41 Ca -0.06 -1.04 -0.15 0.00 -1.95 0.00 0.00 55.36 52.16 2dnf s GLN 41 Cb 0.15 -3.57 0.03 0.00 -0.22 0.00 0.00 33.01 29.40 2dnf s GLN 41 CO 0.74 -0.62 1.77 2.35 -0.25 0.00 0.00 175.29 179.28 2dnf h TRP 42 N 8.33 0.61 -0.43 0.91 -0.00 -1.77 -2.78 115.95 120.82 2dnf h TRP 42 Ca -0.26 -0.01 0.07 0.00 -0.00 0.00 0.00 58.89 58.69 2dnf h TRP 42 Cb 1.10 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.16 30.00 2dnf h TRP 42 CO 0.59 0.45 0.05 -0.44 -0.00 0.00 0.00 178.44 179.09 2dnf h ASP 43 N 0.60 -0.07 -0.95 2.65 5.19 -1.93 -0.98 116.42 120.93 2dnf h ASP 43 Ca 0.16 0.09 0.10 0.00 -0.62 0.00 0.00 57.03 56.76 2dnf h ASP 43 Cb 0.03 0.13 -0.07 0.00 0.18 0.00 0.00 39.33 39.60 2dnf h ASP 43 CO -0.03 -0.00 0.61 0.45 -3.12 0.00 0.00 179.24 177.15 2dnf h HIS 44 N 0.17 1.05 -0.47 4.55 3.86 -1.80 -1.64 115.15 120.87 2dnf h HIS 44 Ca 0.21 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 2dnf h HIS 44 Cb 0.29 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 2dnf h HIS 44 CO -0.24 0.46 0.30 0.28 0.86 0.00 0.00 177.93 179.60 2dnf h VAL 45 N 0.96 1.09 -0.90 2.45 2.07 -0.93 -2.42 116.25 118.57 2dnf h VAL 45 Ca 0.45 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 2dnf h VAL 45 Cb 0.42 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2dnf h VAL 45 CO -0.21 0.11 0.54 -0.07 0.02 0.00 0.00 177.57 177.96 2dnf h LEU 46 N 0.61 1.09 -1.75 2.57 -0.00 -0.91 -0.00 115.31 116.91 2dnf h LEU 46 Ca 0.18 -0.07 0.06 0.00 -0.00 0.00 0.00 57.88 58.05 2dnf h LEU 46 Cb -0.04 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.32 2dnf h LEU 46 CO -0.06 0.84 0.28 -0.61 -0.00 0.00 0.00 178.44 178.90 2dnf h GLN 47 N 1.25 0.29 0.00 1.13 -0.00 -0.93 0.98 115.11 117.83 2dnf h GLN 47 Ca 0.32 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.83 2dnf h GLN 47 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.35 2dnf h GLN 47 CO -0.06 0.19 -1.20 0.52 0.00 0.00 0.00 178.83 178.29 2dnf h MET 48 N 0.30 0.00 -0.02 1.69 2.86 -1.11 -3.31 114.93 115.35 2dnf h MET 48 Ca 0.19 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.60 2dnf h MET 48 Cb 0.35 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2dnf h MET 48 CO -0.04 0.26 -0.93 0.28 1.06 0.00 0.00 176.91 177.54 2dnf h VAL 49 N 0.00 1.37 -0.63 -2.22 2.07 0.35 -3.26 116.25 113.93 2dnf h VAL 49 Ca -0.11 -2.35 -0.09 0.00 0.82 0.00 0.00 66.70 64.96 2dnf h VAL 49 Cb 1.44 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 2dnf h VAL 49 CO 0.04 0.71 0.03 0.74 0.02 0.00 0.00 177.57 179.11 2dnf h THR 50 N 0.28 1.27 -0.78 2.57 2.02 -1.00 0.61 112.91 117.87 2dnf h THR 50 Ca -0.08 -1.12 0.19 0.00 0.77 0.00 0.00 66.41 66.17 2dnf h THR 50 Cb 1.56 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 2dnf h THR 50 CO 0.17 0.41 0.54 -0.33 0.37 0.00 0.00 175.52 176.68 2dnf h GLU 51 N 1.00 0.20 0.05 6.66 5.08 -1.64 -2.38 114.58 123.55 2dnf h GLU 51 Ca 0.18 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.20 2dnf h GLU 51 Cb 0.52 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2dnf h GLU 51 CO 0.03 0.13 -1.83 1.63 -1.00 0.00 0.00 179.01 177.97 2dnf n LYS 52 N -4.41 0.65 -3.80 2.33 4.76 -1.01 -4.75 118.16 111.93 2dnf n LYS 52 Ca 0.16 0.37 -0.35 0.00 -2.87 0.00 0.00 58.31 55.62 2dnf n LYS 52 Cb 0.71 -1.68 -0.11 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.47 3.29 -0.62 -0.18 -1.09 0.18 -5.00 121.20 115.31 2dnf s ILE 53 Ca -0.28 -2.66 -0.21 0.00 -2.23 0.00 0.00 60.65 55.27 2dnf s ILE 53 Cb 0.08 -3.22 0.08 0.00 -1.58 0.00 0.00 42.46 37.82 2dnf s ILE 53 CO 0.65 -0.78 0.85 -0.89 -1.23 0.00 0.00 174.94 173.54 2dnf s THR 54 N 0.38 4.53 0.72 2.92 2.01 -1.10 -4.30 115.64 120.81 2dnf s THR 54 Ca 0.14 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 2dnf s THR 54 Cb -0.22 -4.58 0.03 0.00 0.01 0.00 0.00 72.50 67.74 2dnf s THR 54 CO -0.04 -1.28 1.10 -0.76 -0.69 0.00 0.00 174.62 172.96 2dnf s LEU 55 N 3.49 3.20 0.26 4.42 1.02 -1.23 -4.95 118.68 124.89 2dnf s LEU 55 Ca 0.18 1.93 0.02 0.00 0.02 0.00 0.00 54.13 56.28 2dnf s LEU 55 Cb -0.19 -4.54 0.33 0.00 0.02 0.00 0.00 46.19 41.81 2dnf s LEU 55 CO 0.10 -1.89 1.66 0.03 0.02 0.00 0.00 176.35 176.27 2dnf h ARG 56 N -0.60 0.45 -0.26 1.70 2.47 -1.96 -2.96 114.38 113.21 2dnf h ARG 56 Ca -0.45 -0.21 -0.12 0.00 -1.26 0.00 0.00 59.98 57.95 2dnf h ARG 56 Cb 1.24 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 2dnf h ARG 56 CO 0.52 0.75 -0.32 0.66 0.56 0.00 0.00 179.97 182.14 2dnf h SER 57 N 0.38 0.57 0.00 7.04 4.64 -2.00 -3.49 113.55 120.69 2dnf h SER 57 Ca 0.04 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2dnf h SER 57 Cb 0.82 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2dnf h SER 57 CO 0.07 0.86 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 2dnf n GLY 58 N -0.18 0.25 3.65 -0.77 0.00 -1.12 -5.02 105.19 102.01 2dnf n GLY 58 Ca -0.01 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.00 1.08 0.24 4.61 0.00 -1.26 -3.49 121.76 121.94 2dnf s ALA 59 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 2dnf s ALA 59 Cb 0.00 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 2dnf s ALA 59 CO 0.00 -2.78 0.69 0.08 0.00 0.00 0.00 175.76 173.74 2dnf s VAL 60 N -2.74 4.68 0.00 0.00 1.01 -1.26 -4.57 120.40 117.51 2dnf s VAL 60 Ca 0.65 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2dnf s VAL 60 Cb -0.21 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2dnf s VAL 60 CO 0.59 0.07 0.00 1.41 0.00 0.00 0.00 175.10 177.17 2dnf n HIS 61 N 0.33 0.00 -4.10 5.22 8.25 -0.97 -4.85 115.22 119.10 2dnf n HIS 61 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2dnf n HIS 61 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 2dnf n HIS 61 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2dnf n ARG 62 N -2.03 0.32 -4.10 -0.41 1.85 0.69 -5.03 116.66 107.95 2dnf n ARG 62 Ca 0.00 -2.06 -0.08 0.00 -1.00 0.00 0.00 57.85 54.71 2dnf n ARG 62 Cb 0.46 1.77 -0.10 0.00 -1.05 0.00 0.00 32.46 33.54 2dnf n ARG 62 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2dnf s LEU 63 N 0.00 2.48 -0.13 2.89 1.02 -1.24 -0.37 118.68 123.33 2dnf s LEU 63 Ca 0.24 -0.97 -0.07 0.00 0.02 0.00 0.00 54.13 53.34 2dnf s LEU 63 Cb 0.01 0.13 0.05 0.00 0.02 0.00 0.00 46.19 46.40 2dnf s LEU 63 CO 0.17 -0.55 0.30 -0.31 0.02 0.00 0.00 176.35 175.98 2dnf s TYR 64 N -3.72 -0.42 1.25 0.29 1.51 0.11 -2.74 117.35 113.63 2dnf s TYR 64 Ca 0.07 0.95 -0.19 0.00 -1.01 0.00 0.00 57.07 56.89 2dnf s TYR 64 Cb 0.06 0.13 0.30 0.00 -0.11 0.00 0.00 41.96 42.34 2dnf s TYR 64 CO -0.08 -0.26 1.04 0.95 -1.11 0.00 0.00 175.55 176.08 2dnf s THR 65 N 1.22 1.55 -0.54 -0.71 -4.23 -0.91 -1.34 115.64 110.68 2dnf s THR 65 Ca -0.09 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.66 2dnf s THR 65 Cb -0.09 -2.31 0.25 0.00 1.34 0.00 0.00 72.50 71.69 2dnf s THR 65 CO -0.09 0.00 1.72 0.18 -0.54 0.00 0.00 174.62 175.89 2dnf n LEU 66 N -5.01 0.67 0.05 4.79 4.77 -1.26 -2.31 117.00 118.69 2dnf n LEU 66 Ca 0.11 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.85 2dnf n LEU 66 Cb 0.59 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2dnf n LEU 66 CO 0.47 -0.48 -0.28 -0.62 -1.33 0.00 0.00 177.39 175.15 2dnf n GLU 67 N -2.22 0.57 0.00 3.23 -0.58 -1.26 -4.64 120.64 115.75 2dnf n GLU 67 Ca 0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2dnf n GLU 67 Cb 0.26 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 2dnf n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dnf n GLY 68 N 1.24 1.12 3.70 0.62 0.00 -0.98 -5.07 105.19 105.83 2dnf n GLY 68 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.30 1.38 -0.10 1.61 2.47 -1.26 -4.73 119.74 118.81 2dnf s LYS 69 Ca 0.00 1.48 0.02 0.00 -1.56 0.00 0.00 55.97 55.91 2dnf s LYS 69 Cb 0.00 -1.77 -0.02 0.00 -1.46 0.00 0.00 37.83 34.58 2dnf s LYS 69 CO 0.00 -2.35 -0.15 -1.17 0.16 0.00 0.00 175.35 171.84 2dnf s LEU 70 N -6.35 2.63 -0.16 5.43 1.98 -1.26 -2.14 118.68 118.81 2dnf s LEU 70 Ca 0.66 -0.32 0.01 0.00 -2.89 0.00 0.00 54.13 51.59 2dnf s LEU 70 Cb -0.22 -1.57 0.02 0.00 0.66 0.00 0.00 46.19 45.09 2dnf s LEU 70 CO 0.57 0.22 -0.15 -0.69 -1.89 0.00 0.00 176.35 174.41 2dnf s VAL 71 N 0.02 1.69 -1.57 1.68 1.01 -1.11 -4.98 120.40 117.15 2dnf s VAL 71 Ca -0.05 -0.76 0.17 0.00 0.00 0.00 0.00 61.98 61.34 2dnf s VAL 71 Cb -0.14 -1.60 0.45 0.00 0.00 0.00 0.00 36.38 35.09 2dnf s VAL 71 CO 0.04 0.43 1.37 -0.62 0.00 0.00 0.00 175.10 176.32 2dnf n GLU 72 N 4.72 2.65 -3.52 2.72 4.71 -1.26 -3.69 120.64 126.97 2dnf n GLU 72 Ca -0.17 -2.29 -0.09 0.00 -0.01 0.00 0.00 57.16 54.60 2dnf n GLU 72 Cb 0.49 -1.42 -0.03 0.00 -1.01 0.00 0.00 31.44 29.48 2dnf n GLU 72 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2dnf s SER 73 N -1.05 -0.36 0.00 1.62 0.15 -1.26 -4.88 113.70 107.91 2dnf s SER 73 Ca 0.35 0.09 0.07 0.00 0.70 0.00 0.00 55.95 57.16 2dnf s SER 73 Cb 0.19 0.36 0.38 0.00 -1.71 0.00 0.00 66.02 65.24 2dnf s SER 73 CO 0.25 -0.55 0.95 0.61 1.20 0.00 0.00 173.24 175.70 2dnf n GLY 74 N -0.03 -0.33 0.27 9.45 0.00 -1.26 -2.60 105.19 110.68 2dnf n GLY 74 Ca -0.09 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 2.39 1.77 -0.47 4.61 0.00 -1.95 0.30 119.26 125.91 2dnf h ALA 75 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dnf h ALA 75 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dnf h ALA 75 CO 0.00 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.69 2dnf n GLU 76 N -4.25 2.42 -3.68 0.00 1.02 -1.07 -4.89 120.64 110.19 2dnf n GLU 76 Ca -0.03 -1.82 -0.37 0.00 -0.02 0.00 0.00 57.16 54.92 2dnf n GLU 76 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 2dnf n GLU 76 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dnf s LEU 77 N -1.16 4.36 0.36 -4.62 1.43 0.09 -5.10 118.68 114.03 2dnf s LEU 77 Ca 0.33 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2dnf s LEU 77 Cb 0.19 -2.27 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 2dnf s LEU 77 CO 0.20 0.29 -0.06 -0.70 0.23 0.00 0.00 176.35 176.31 2dnf s GLU 78 N -0.52 1.83 -0.71 1.70 2.12 -1.26 -5.06 118.70 116.79 2dnf s GLU 78 Ca 0.17 -1.97 -0.23 0.00 0.36 0.00 0.00 54.97 53.29 2dnf s GLU 78 Cb -0.13 -1.61 0.07 0.00 0.26 0.00 0.00 34.13 32.72 2dnf s GLU 78 CO 0.06 0.06 1.05 0.54 -0.54 0.00 0.00 175.26 176.43 2dnf s ASN 79 N -3.62 6.23 0.00 -1.70 4.22 -1.26 -3.61 114.94 115.19 2dnf s ASN 79 Ca 0.33 -1.02 0.00 0.00 -2.14 0.00 0.00 52.86 50.03 2dnf s ASN 79 Cb 0.05 -2.45 0.00 0.00 1.28 0.00 0.00 41.25 40.13 2dnf s ASN 79 CO 0.16 -1.47 0.00 0.61 -2.04 0.00 0.00 177.10 174.36 2dnf n GLY 80 N 5.42 1.67 3.73 0.45 0.00 -0.74 -4.95 105.19 110.77 2dnf n GLY 80 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2dnf n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dnf s GLN 81 N -0.29 2.22 0.02 1.61 -1.52 -1.24 -5.02 119.66 115.46 2dnf s GLN 81 Ca 0.00 -1.83 0.06 0.00 -1.95 0.00 0.00 55.36 51.64 2dnf s GLN 81 Cb 0.00 -1.98 -0.03 0.00 -0.22 0.00 0.00 33.01 30.77 2dnf s GLN 81 CO 0.00 -0.09 -0.14 -0.06 -0.25 0.00 0.00 175.29 174.76 2dnf s PHE 82 N -2.59 2.69 -0.16 0.91 0.40 -1.26 -1.94 117.98 116.03 2dnf s PHE 82 Ca 0.40 -0.17 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 2dnf s PHE 82 Cb 0.03 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 42.10 2dnf s PHE 82 CO 0.22 0.30 0.37 0.71 0.70 0.00 0.00 175.22 177.52 2dnf s TYR 83 N -0.95 -0.58 0.18 0.36 2.02 -0.67 -4.64 117.35 113.06 2dnf s TYR 83 Ca 0.16 1.23 -0.29 0.00 -0.37 0.00 0.00 57.07 57.80 2dnf s TYR 83 Cb -0.11 0.21 -0.08 0.00 -0.40 0.00 0.00 41.96 41.59 2dnf s TYR 83 CO 0.06 -0.35 0.91 0.08 -1.57 0.00 0.00 175.55 174.68 2dnf s VAL 84 N 1.70 4.28 -0.49 0.71 1.01 -0.45 -2.44 120.40 124.72 2dnf s VAL 84 Ca -0.07 2.00 -0.22 0.00 0.00 0.00 0.00 61.98 63.69 2dnf s VAL 84 Cb -0.10 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.03 2dnf s VAL 84 CO -0.12 0.44 0.78 0.00 0.00 0.00 0.00 175.10 176.20 2dnf s ALA 85 N -0.74 3.28 -0.11 5.51 0.00 0.90 -0.72 121.76 129.87 2dnf s ALA 85 Ca 0.42 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 2dnf s ALA 85 Cb -0.24 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 2dnf s ALA 85 CO 0.30 -2.06 0.24 0.08 0.00 0.00 0.00 175.76 174.32 2dnf s VAL 86 N 3.30 5.33 0.00 0.00 1.01 0.50 -3.27 120.40 127.28 2dnf s VAL 86 Ca 0.26 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2dnf s VAL 86 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2dnf s VAL 86 CO 0.19 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.43 2dnf n GLY 87 N 2.49 0.83 2.14 4.51 0.00 -1.26 -0.23 105.19 113.67 2dnf n GLY 87 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2dnf n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dnf n ARG 88 N 0.00 2.11 -4.01 1.61 1.74 -1.26 -4.49 116.66 112.36 2dnf n ARG 88 Ca 0.00 -2.07 -0.10 0.00 -0.77 0.00 0.00 57.85 54.91 2dnf n ARG 88 Cb 0.00 -1.87 -0.07 0.00 -1.02 0.00 0.00 32.46 29.50 2dnf n ARG 88 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2dnf s ASP 89 N -0.10 0.05 0.61 0.55 2.15 -1.26 -5.12 116.67 113.55 2dnf s ASP 89 Ca 0.44 -0.98 -0.13 0.00 0.43 0.00 0.00 52.55 52.31 2dnf s ASP 89 Cb 0.32 0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 43.35 2dnf s ASP 89 CO -0.07 -0.92 1.03 -0.54 -0.17 0.00 0.00 175.17 174.50 2dnf s LYS 90 N -4.01 3.48 -0.22 4.34 3.01 -1.26 -4.99 119.74 120.10 2dnf s LYS 90 Ca 0.22 0.90 -0.29 0.00 -1.01 0.00 0.00 55.97 55.78 2dnf s LYS 90 Cb 0.03 -2.06 -0.01 0.00 -1.01 0.00 0.00 37.83 34.78 2dnf s LYS 90 CO 0.03 -0.66 1.34 0.12 0.51 0.00 0.00 175.35 176.69 2dnf s PHE 91 N -2.94 2.65 -0.86 3.18 5.36 -1.26 -4.93 117.98 119.17 2dnf s PHE 91 Ca 0.58 0.85 -0.25 0.00 -0.96 0.00 0.00 56.93 57.15 2dnf s PHE 91 Cb -0.12 -3.74 0.03 0.00 -0.34 0.00 0.00 43.02 38.85 2dnf s PHE 91 CO 0.47 -1.98 1.43 0.15 -1.46 0.00 0.00 175.22 173.83 2dnf s LYS 92 N 3.92 3.28 -0.87 10.12 1.02 -1.26 -4.90 119.74 131.05 2dnf s LYS 92 Ca 0.58 -0.55 -0.15 0.00 0.02 0.00 0.00 55.97 55.87 2dnf s LYS 92 Cb -0.21 -4.73 -0.25 0.00 -0.52 0.00 0.00 37.83 32.12 2dnf s LYS 92 CO 0.20 -2.29 2.17 1.17 -0.92 0.00 0.00 175.35 175.68 2dnf n LYS 93 N 9.13 0.19 -4.12 1.68 0.00 -1.26 -4.66 118.16 119.12 2dnf n LYS 93 Ca 0.19 -0.36 -0.14 0.00 0.00 0.00 0.00 58.31 58.00 2dnf n LYS 93 Cb 0.50 -2.04 -0.11 0.00 0.00 0.00 0.00 35.03 33.38 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 5.76 2.32 -0.51 3.14 1.43 -1.26 -5.10 118.68 124.46 2dnf s LEU 94 Ca 1.08 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 53.24 2dnf s LEU 94 Cb -0.52 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 2dnf s LEU 94 CO 0.35 -0.21 1.80 -2.16 0.23 0.00 0.00 176.35 176.36 2dnf s PRO 95 N -2.10 2.93 -0.21 1.29 0.04 -1.26 -4.81 135.00 130.88 2dnf s PRO 95 Ca -0.03 0.88 0.05 0.00 0.04 0.00 0.00 61.00 61.95 2dnf s PRO 95 Cb -0.07 -4.30 -0.20 0.00 0.04 0.00 0.00 34.50 29.97 2dnf s PRO 95 CO 0.00 -2.36 -0.02 0.66 0.04 0.00 0.00 177.00 175.32 2dnf n TYR 96 N 11.62 0.25 0.30 0.56 4.01 -1.26 -4.25 117.16 128.39 2dnf n TYR 96 Ca 0.21 0.06 0.16 0.00 -0.16 0.00 0.00 57.90 58.16 2dnf n TYR 96 Cb 0.50 -1.04 0.83 0.00 -0.31 0.00 0.00 39.34 39.33 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 2.38 0.00 1.45 2.72 0.00 -1.89 0.28 103.07 108.01 2dnf h GLY 97 Ca -0.53 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.49 2dnf h GLY 97 CO -0.03 0.00 -1.37 1.05 0.00 0.00 0.00 176.54 176.20 2dnf h GLU 98 N 0.00 0.40 0.00 4.80 4.11 -1.86 -3.24 114.58 118.80 2dnf h GLU 98 Ca 0.00 -0.69 -0.01 0.00 0.07 0.00 0.00 59.36 58.74 2dnf h GLU 98 Cb 0.43 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2dnf h GLU 98 CO 0.00 1.33 -0.02 -0.07 0.07 0.00 0.00 179.01 180.31 2dnf h LEU 99 N 0.11 0.00 0.36 3.06 3.38 -1.14 -3.16 115.31 117.92 2dnf h LEU 99 Ca -0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2dnf h LEU 99 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 2dnf h LEU 99 CO 0.24 0.02 -0.17 -0.07 0.09 0.00 0.00 178.44 178.55 2dnf h LEU 100 N 0.00 -0.41 -7.79 1.67 3.38 -1.56 -3.45 115.31 107.16 2dnf h LEU 100 Ca -0.00 0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.49 2dnf h LEU 100 Cb 0.26 0.11 -0.35 0.00 0.09 0.00 0.00 40.66 40.76 2dnf h LEU 100 CO 0.00 -0.14 -0.80 -0.36 0.09 0.00 0.00 178.44 177.23 2dnf s PHE 101 N -3.30 1.30 -0.11 1.13 0.40 -1.19 -5.06 117.98 111.15 2dnf s PHE 101 Ca -0.07 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.72 2dnf s PHE 101 Cb 0.01 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 2dnf s PHE 101 CO 0.21 -0.37 -0.13 0.34 0.70 0.00 0.00 175.22 175.97 2dnf s ASP 102 N 1.25 4.03 0.13 1.36 -1.08 -1.26 -4.75 116.67 116.36 2dnf s ASP 102 Ca -0.04 -0.29 -0.20 0.00 -0.52 0.00 0.00 52.55 51.50 2dnf s ASP 102 Cb -0.14 -1.42 -0.03 0.00 -1.46 0.00 0.00 42.92 39.87 2dnf s ASP 102 CO -0.03 0.21 1.72 0.77 0.52 0.00 0.00 175.17 178.36 2dnf h SER 103 N 6.35 -0.11 -0.50 -0.34 4.64 -2.00 -3.41 113.55 118.18 2dnf h SER 103 Ca -0.31 0.05 -0.60 0.00 -0.47 0.00 0.00 61.79 60.47 2dnf h SER 103 Cb 1.20 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.33 2dnf h SER 103 CO 0.54 -0.03 1.56 0.61 -0.87 0.00 0.00 176.83 178.65 2dnf n GLY 104 N -1.19 -0.08 3.72 -0.77 0.00 -1.26 -4.85 105.19 100.76 2dnf n GLY 104 Ca -0.02 1.02 -0.42 0.00 0.00 0.00 0.00 46.02 46.60 2dnf n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnf s PRO 105 N 7.55 4.35 -1.10 1.61 0.04 -1.26 -3.10 135.00 143.09 2dnf s PRO 105 Ca 1.20 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 64.22 2dnf s PRO 105 Cb -1.05 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 30.25 2dnf s PRO 105 CO 0.49 -0.38 0.95 0.45 0.04 0.00 0.00 177.00 178.56 2dnf n SER 106 N 3.68 -5.12 -4.16 6.66 2.88 -1.26 -5.00 113.62 111.30 2dnf n SER 106 Ca 0.10 -0.45 -0.34 0.00 -1.33 0.00 0.00 58.87 56.85 2dnf n SER 106 Cb 0.43 -4.23 -0.15 0.00 -0.75 0.00 0.00 64.21 59.51 2dnf n SER 106 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnf s SER 107 N -3.38 4.25 0.00 -3.46 0.01 -1.18 -5.27 113.70 104.67 2dnf s SER 107 Ca 0.42 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dnf s SER 107 Cb -0.18 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2dnf s SER 107 CO 0.60 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.72